FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Burr, T Skurikhin, A AF Burr, Tom Skurikhin, Alexei TI Selecting Summary Statistics in Approximate Bayesian Computation for Calibrating Stochastic Models SO BIOMED RESEARCH INTERNATIONAL LA English DT Article ID CHAIN MONTE-CARLO; COMPUTER-MODEL; PARAMETERS; LIKELIHOOD; SIMULATION; INFERENCE AB Approximate Bayesian computation (ABC) is an approach for using measurement data to calibrate stochastic computer models, which are common in biology applications. ABC is becoming the "go-to" option when the data and/or parameter dimension is large because it relies on user-chosen summary statistics rather than the full data and is therefore computationally feasible. One technical challenge with ABC is that the quality of the approximation to the posterior distribution of model parameters depends on the user-chosen summary statistics. In this paper, the user requirement to choose effective summary statistics in order to accurately estimate the posterior distribution of model parameters is investigated and illustrated by example, using a model and corresponding real data of mitochondrial DNA population dynamics. We show that for some choices of summary statistics, the posterior distribution of model parameters is closely approximated and for other choices of summary statistics, the posterior distribution is not closely approximated. A strategy to choose effective summary statistics is suggested in cases where the stochastic computer model can be run at many trial parameter settings, as in the example. C1 [Burr, Tom; Skurikhin, Alexei] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Burr, T (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM tburr@lanl.gov OI Skurikhin, Alexei/0000-0001-5606-4933 NR 29 TC 1 Z9 1 U1 0 U2 2 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 2314-6133 EI 2314-6141 J9 BIOMED RES INT JI Biomed Res. Int. PY 2013 AR 210646 DI 10.1155/2013/210646 PG 10 WC Biotechnology & Applied Microbiology; Medicine, Research & Experimental SC Biotechnology & Applied Microbiology; Research & Experimental Medicine GA 249PF UT WOS:000326788400001 ER PT J AU Dergunov, SA Richter, AG Kim, MD Pingali, SV Urban, VS Pinkhassik, E AF Dergunov, Sergey A. Richter, Andrew G. Kim, Mariya D. Pingali, Sai Venkatesh Urban, Volker S. Pinkhassik, Eugene TI Synergistic self-assembly of scaffolds and building blocks for directed synthesis of organic nanomaterials SO CHEMICAL COMMUNICATIONS LA English DT Article ID AQUEOUS MIXTURES; PHASE-BEHAVIOR; RADICAL POLYMERIZATION; NANOCAPSULES; STABILITY; NANOSTRUCTURES; SURFACTANTS; NANOSCALE; NANOPORES; TEMPLATE AB Surfactants and hydrophobic monomers spontaneously assemble into vesicles containing monomers within the bilayer. The joint action of monomers and surfactants is essential in this synergistic self-assembly. Polymerization in the bilayer formed hollow polymer nanocapsules. C1 [Dergunov, Sergey A.; Kim, Mariya D.; Pinkhassik, Eugene] St Louis Univ, Dept Chem, St Louis, MO 63103 USA. [Richter, Andrew G.] Valparaiso Univ, Dept Phys & Astron, Valparaiso, IN 46383 USA. [Pingali, Sai Venkatesh; Urban, Volker S.] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. RP Pinkhassik, E (reprint author), St Louis Univ, Dept Chem, 3501 Laclede Ave, St Louis, MO 63103 USA. EM epinkhas@slu.edu RI Urban, Volker/N-5361-2015; Dergunov, Sergey/O-6287-2014; OI Urban, Volker/0000-0002-7962-3408; Dergunov, Sergey/0000-0001-6668-6445; Pingali, Sai Venkatesh/0000-0001-7961-4176 FU National Science Foundation [CHE-1316680, CHE-0933363]; Saint Louis University Presidential Research Fund; U.S. Department of Energy for neutron scattering research at Oak Ridge National Laboratory; High Flux Isotope Reactor [DE-AC05-00OR22725]; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; National Institute of Standards and Technology, U.S. Department of Commerce; E. I. DuPont de Nemours Co.; Dow Chemical Company; Northwestern University; U.S. DOE [DE-AC02-06CH11357] FX This work was supported by the National Science Foundation (CHE-1316680 and CHE-0933363) and Saint Louis University Presidential Research Fund. Support from the U.S. Department of Energy for neutron scattering research at Oak Ridge National Laboratory was provided to the Center for Structural Molecular Biology (Office of Biological and Environmental Research) and the High Flux Isotope Reactor (contract DE-AC05-00OR22725, Scientific User Facilities Division, Office of Basic Energy Sciences). V. U. acknowledges support by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. We acknowledge the support of the National Institute of Standards and Technology, U.S. Department of Commerce, in providing the neutron research facilities used in this work. Portions of this work were performed at the DuPont-North-western-Dow Collaborative Access Team (DND-CAT) located at Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by E. I. DuPont de Nemours & Co., The Dow Chemical Company and Northwestern University. Use of the APS, an Office of Science User Facility operated for the U. S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 31 TC 11 Z9 11 U1 2 U2 46 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 94 BP 11026 EP 11028 DI 10.1039/c3cc45847d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 248YQ UT WOS:000326742700003 PM 24081316 ER PT J AU Ha, JW Chen, KC Fang, N AF Ha, Ji Won Chen, Kuangcai Fang, Ning TI Differential interference contrast microscopy imaging of micrometer-long plasmonic nanowires SO CHEMICAL COMMUNICATIONS LA English DT Article ID MODIFIED GOLD NANOPARTICLES; METAL NANORODS; ORIENTATION; CELLS AB We report polarization-and wavelength-sensitive differential interference contrast (DIC) images and intensities of 2 mu m-long gold nanowires. The feasibility and usefulness of the gold nanowires as optical sensors and probes in biological systems are demonstrated through combining with a DIC microscope. C1 [Fang, Ning] Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Fang, N (reprint author), Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA. EM nfang@iastate.edu FU U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division; Iowa State University [DE-AC02-07CH11358] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract no. DE-AC02-07CH11358. NR 20 TC 5 Z9 5 U1 2 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 94 BP 11038 EP 11040 DI 10.1039/c3cc46871b PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 248YQ UT WOS:000326742700007 PM 24150572 ER PT J AU He, YB Furukawa, H Wu, CD O'Keeffe, M Chen, BL AF He, Yabing Furukawa, Hiroyasu Wu, Chuande O'Keeffe, Michael Chen, Banglin TI A mesoporous lanthanide-organic framework constructed from a dendritic hexacarboxylate with cages of 2.4 nm SO CRYSTENGCOMM LA English DT Article ID OPEN METAL SITES; SMALL MOLECULES; SORPTION PROPERTIES; CO2 UPTAKE; ADSORPTION; GAS; SEPARATION; HYDROCARBONS; ENHANCEMENT; SELECTIVITY AB Solvothermal reaction of a dendritic hexacarboxylic acid with Tb(NO3)(3)center dot 6H(2)O afforded a mesoporous lanthanide-organic framework (UTSA-61) whose single-crystal X-ray structure was characterized to have octahedral cages of 2.4 nm in diameter. This mesoporous MOF not only exhibits novel hey topology, but also maintains permanent porosity as shown in its N-2, H-2, CO2 and CH4 gas sorption isotherms. C1 [He, Yabing] Zhejiang Normal Univ, Coll Chem & Life Sci, Jinhua 321004, Peoples R China. [Furukawa, Hiroyasu] Univ Calif Berkeley, Dept Chem, Div Mat Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wu, Chuande] Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China. [O'Keeffe, Michael] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. [Chen, Banglin] Univ Texas San Antonio, Dept Chem, San Antonio, TX 78249 USA. RP He, YB (reprint author), Zhejiang Normal Univ, Coll Chem & Life Sci, Jinhua 321004, Peoples R China. EM heyabing@gmail.com; banglin.chen@utsa.edu RI Chen, Banglin/F-5461-2010; Wu, Chuan-De/B-7546-2013; He, Yabing/H-3314-2012; Furukawa, Hiroyasu/C-5910-2008 OI Chen, Banglin/0000-0001-8707-8115; Furukawa, Hiroyasu/0000-0002-6082-1738 FU Welch Foundation [AX-1730] FX This work was supported by an AX-1730 from Welch Foundation (BC). NR 53 TC 20 Z9 20 U1 5 U2 53 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1466-8033 J9 CRYSTENGCOMM JI Crystengcomm PY 2013 VL 15 IS 45 BP 9328 EP 9331 DI 10.1039/c3ce41062e PG 4 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 245WQ UT WOS:000326495000015 ER PT J AU Chapman, KW Beyer, KA Zhao, HY Chupas, PJ AF Chapman, Karena W. Beyer, Kevin A. Zhao, Haiyan Chupas, Peter J. TI Correlating structure and chemistry through simultaneous in situ pair distribution function and infrared spectroscopy measurements SO CRYSTENGCOMM LA English DT Article ID PRUSSIAN BLUE ANALOGS; X-RAY-DIFFRACTION; MOLECULAR FRAMEWORK MATERIAL; NEGATIVE THERMAL-EXPANSION; SINGLE-CRYSTAL; FT-IR; CO; ZN; HYDROGEN; CATALYSTS AB Desorption of coordinated and non-coordinated guests from the nanoporous Prussian blue analogue Mn-3(II)[Co-III(CN)(6)](2)(H2O)(6)center dot x{H2O} was probed by simultaneous pair distribution function and infrared spectroscopy measurements. The combined data shows how the release of guests from different sites is coupled to structural relaxation of the framework. C1 [Chapman, Karena W.; Beyer, Kevin A.; Zhao, Haiyan; Chupas, Peter J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Lemont, IL USA. RP Chapman, KW (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, 9700 S Cass Ave, Lemont, IL USA. EM chapmank@aps.anl.gov; chupas@aps.anl.gov FU U.S. DOE [DE-AC02-06CH11357] FX Work done at Argonne and use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. DOE Office of Science by Argonne National Laboratory, were supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 33 TC 2 Z9 2 U1 4 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1466-8033 J9 CRYSTENGCOMM JI Crystengcomm PY 2013 VL 15 IS 45 BP 9377 EP 9381 DI 10.1039/c3ce41458b PG 5 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 245WQ UT WOS:000326495000027 ER PT S AU Boye, RR Goeke, RS Hunt, JP Ison, AM Jared, BH Pillars, JR Saavedra, MP Sweatt, WC Yelton, WG Winrow, EG Wolfley, SL AF Boye, Robert R. Goeke, Ronald S. Hunt, Jeffery P. Ison, Aaron M. Jared, Bradley H. Pillars, Jamin R. Saavedra, Michael P. Sweatt, William C. Yelton, W. Graham Winrow, Edward G. Wolfley, Steve L. BE Johnson, RB Mahajan, VN Thibault, S TI Design of Wearable Binoculars with On-Demand Zoom SO CURRENT DEVELOPMENTS IN LENS DESIGN AND OPTICAL ENGINEERING XIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Current Developments in Lens Design and Optical Engineering XIV CY AUG 25-27, 2013 CL San Diego, CA SP SPIE DE Freeform optics; Head-mounted optics; Diamond-turning; Reflective optics; Electrochromic; Switchable mirror ID FILM AB Sandia has developed an optical design for wearable binoculars utilizing freeform surfaces and switchable mirrors. The goals of the effort included a design lightweight enough to be worn by the user while providing a useful field of view and magnification as well as non-mechanical switching between normal and zoomed vision. Sandia's approach is a four mirror, off-axis system taking advantage of the weight savings and chromatic performance of a reflective system. The system incorporates an electrochromic mirror on the final surface before the eye allowing the user to switch between viewing modes. Results from a prototype of a monocular version with 6.6x magnification will be presented. The individual mirrors, including three off-axis aspheres and one true freeform, were fabricated using a diamond-turning based process. A slow-slide servo process was used for the freeform element. Surface roughness and form measurement of the freeform mirror will be presented as well as the expected impact on performance. The alignment and assembly procedure will be reviewed as well as the measured optical performance of the prototype. In parallel to the optical design work, development of an electrochromic mirror has provided a working device with faster switching than current state of the art. Switchable absorbers have been demonstrated with switching times less than 0.5 seconds. The deposition process and characterization of these devices will be presented. Finally, details of an updated optical design with additional freeform surfaces will be presented as well as plans for integrating the electrochromic mirror into the system. C1 [Boye, Robert R.; Goeke, Ronald S.; Hunt, Jeffery P.; Ison, Aaron M.; Jared, Bradley H.; Pillars, Jamin R.; Saavedra, Michael P.; Sweatt, William C.; Yelton, W. Graham; Winrow, Edward G.; Wolfley, Steve L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Boye, RR (reprint author), Sandia Natl Labs, POB 5800,MS 1082, Albuquerque, NM 87185 USA. NR 17 TC 0 Z9 0 U1 1 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9691-1 J9 PROC SPIE PY 2013 VL 8841 AR 88410H DI 10.1117/12.2024619 PG 11 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BHU97 UT WOS:000326718600011 ER PT S AU Brennan, J Brubaker, E Gerling, M Marleau, P Nowack, A Schuster, P AF Brennan, James Brubaker, Erik Gerling, Mark Marleau, Peter Nowack, Aaron Schuster, Patricia BE Fiederle, M Burger, A Franks, L James, RB TI Time-encoded imaging of energetic radiation SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XV SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics XV CY AUG 26-28, 2013 CL San Diego, CA SP SPIE DE Time-encoded imaging; neutron; SNM detection AB Time-encoded imaging (TEI) is a new approach to directional detection of energetic radiation that produces images by inducing a time-dependent modulation of detected particles. TEI-based detectors use single-scatter events and have a low channel count, reducing complexity and cost while maintaining high efficiency with respect to other radiation imaging techniques such as double-scatter or coded aperture imaging. The scalability of TEI systems makes them a very promising detector class for weak source detection. Extension of the technique to high-resolution imaging is also under study. With a prototype time-encoding detector, we demonstrated detection of a neutron source at 60 m with neutron output equivalent to an IAEA significant quantity of WGPu. We have since designed and built a full-scale detector based on the time-encoding concept. We will present results from characterization of very large liquid scintillator cells, including pulse shape discrimination, as well as from studies of the detector system performance in weak source detection scenarios. C1 [Brennan, James; Brubaker, Erik; Gerling, Mark; Marleau, Peter; Nowack, Aaron; Schuster, Patricia] Sandia Natl Labs, Livermore, CA USA. RP Brennan, J (reprint author), Sandia Natl Labs, Livermore, CA USA. EM ebrubak@sandia.gov NR 2 TC 0 Z9 0 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9702-4 J9 PROC SPIE PY 2013 VL 8852 AR 885203 DI 10.1117/12.2027674 PG 8 WC Optics; Physics, Applied; Physics, Particles & Fields SC Optics; Physics GA BHT73 UT WOS:000326643800002 ER PT S AU Du, MH Singh, DJ AF Du, Mao-Hua Singh, David J. BE Fiederle, M Burger, A Franks, L James, RB TI First-principles study of electronic structure, defects, and activators in LiCaAlF6 SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XV SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics XV CY AUG 26-28, 2013 CL San Diego, CA SP SPIE DE LiCaAlF6; neutron detection; scintillator; electronic structure; defects; F center ID CE3+ DOPED LICAALF6; SINGLE-CRYSTALS; OPTICAL-PROPERTIES; ENERGY-TRANSFER; GROWTH; SCINTILLATION; LISRALF6; PURE AB LiCaAlF6 (LiCAF) is a promising inorganic neutron scintillator material. Here, we report the electronic structure as well as properties of the small hole polaron, F center, and activators (e. g., Ce) in LiCAF based on first-principles calculations. These results are discussed in the context of carrier transport and trapping in LiCAF. We also discuss the approach to reduce reabsorption of Ce emission by the F centers, thereby suppressing afterglow in LiCAF: Ce after exposure to X- or gamma-ray. C1 [Du, Mao-Hua] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Du, MH (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RI Du, Mao-Hua/B-2108-2010 OI Du, Mao-Hua/0000-0001-8796-167X NR 32 TC 1 Z9 1 U1 0 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9702-4 J9 PROC SPIE PY 2013 VL 8852 AR 885205 DI 10.1117/12.2022864 PG 8 WC Optics; Physics, Applied; Physics, Particles & Fields SC Optics; Physics GA BHT73 UT WOS:000326643800003 ER PT S AU Nelson, AJ Lee, JS Stanford, JA Grant, WK Voss, LF Beck, PR Graff, RT Swanberg, EL Conway, AM Nikolic, RJ Payne, SA Kim, H Cirignano, L Shah, K AF Nelson, A. J. Lee, J. -S. Stanford, J. A. Grant, W. K. Voss, L. F. Beck, P. R. Graff, R. T. Swanberg, E. L. Conway, A. M. Nikolic, R. J. Payne, S. A. Kim, H. Cirignano, L. Shah, K. BE Fiederle, M Burger, A Franks, L James, RB TI Photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XV SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics XV CY AUG 26-28, 2013 CL San Diego, CA SP SPIE DE Thallium bromide; photoelectron spectroscopy; radiation detection ID GAMMA-RAY SPECTROMETERS; ELECTRONIC-STRUCTURE; SENSING TECHNIQUE; PERFORMANCE; CRYSTALS AB Device-grade TlBr was subjected to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. Samples of as polished TlBr were treated separately with 2% Br:MeOH, 10% HF, 10% HCl and 96% SOCl2 solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p and S 2p core lines were used to evaluate surface chemistry. Results suggest anion substitution at the surface with subsequent shallow heterojunction formation. Surface chemistry and valence band electronic structure were further correlated with the goal of optimizing the long-term stability and radiation response. C1 [Nelson, A. J.; Stanford, J. A.; Grant, W. K.; Voss, L. F.; Beck, P. R.; Graff, R. T.; Swanberg, E. L.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Nelson, AJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 26 TC 0 Z9 0 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9702-4 J9 PROC SPIE PY 2013 VL 8852 AR 88520E DI 10.1117/12.2021675 PG 8 WC Optics; Physics, Applied; Physics, Particles & Fields SC Optics; Physics GA BHT73 UT WOS:000326643800007 ER PT S AU Roy, UN Bolotnikov, AE Camarda, GS Cui, Y Hossain, A Yang, G James, RB Fauler, A Fiederle, M Sowinska, M Hennard, G Siffert, P AF Roy, U. N. Bolotnikov, A. E. Camarda, G. S. Cui, Y. Hossain, A. Yang, G. James, R. B. Fauler, A. Fiederle, M. Sowinska, M. Hennard, G. Siffert, P. BE Fiederle, M Burger, A Franks, L James, RB TI Growth and characterization of CdTeSe for room-temperature radiation detector applications SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XV SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics XV CY AUG 26-28, 2013 CL San Diego, CA SP SPIE ID CRYSTALS AB The near-unity segregation coefficient of Se in a CdTe matrix ensures the compositional homogeneity, both axial-and radial, of the CdTeSe ternary compound, so making it a material of choice for room-temperature radiation detectors. In this study, we grew CdTeSe crystals by the Traveling Heater Method (THM), using Te as the solvent, and characterized the crystals by IR transmission microscopy, white-beam X-ray diffraction topography, and low-temperature photoluminescence. The total average concentration of the secondary phases obtained for the CdTeSe sample was about 7x10(4) cm(-3) for crystals grown at two different laboratories. The best resistivity registered was 5x10(9) ohm-cm, and the estimated mu tau product for the electrons was 3-4x10(-3) cm(2)/V. C1 [Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Roy, UN (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 7 TC 2 Z9 2 U1 2 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9702-4 J9 PROC SPIE PY 2013 VL 8852 AR 885210 DI 10.1117/12.2027081 PG 4 WC Optics; Physics, Applied; Physics, Particles & Fields SC Optics; Physics GA BHT73 UT WOS:000326643800018 ER PT S AU Wang, ZH Guardincerri, E Rathman, DD Azzouz, ME Barnes, CW Berger, R Bond, EM Craig, DM Holtkamp, D Kapustinsky, JS Klimenko, AV Kwiatkowski, K Merl, RB Morris, CL Perry, JO Ramberg, E Reich, RK Ronzhin, A Warner, K Williams, RT Zhu, RY AF Wang, Zhehui Guardincerri, Elena Rathman, D. D. Azzouz, M. E. Barnes, Cris W. Berger, R. Bond, E. M. Craig, D. M. Holtkamp, David Kapustinsky, J. S. Klimenko, Alexei V. Kwiatkowski, K. Merl, R. B. Morris, C. L. Perry, J. O. Ramberg, E. Reich, R. K. Ronzhin, A. Warner, K. Williams, R. T. Zhu, Ren-Yuan BE Fiederle, M Burger, A Franks, L James, RB TI Gigahertz (GHz) hard X-ray imaging using fast scintillators SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XV SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics XV CY AUG 26-28, 2013 CL San Diego, CA SP SPIE DE GHz X-ray imaging; MCP-PMT detectors; fast scintillators; detection efficiency ID CHALLENGES; CRYSTALS; CMOS; ZNO; CDS AB Gigahertz (GHz) imaging technology will be needed at high-luminosity X-ray and charged particle sources. It is plausible to combine fast scintillators with the latest picosecond detectors and GHz electronics for multi-frame hard Xray imaging and achieve an inter-frame time of less than 10 ns. The time responses and light yield of LYSO, LaBr3, BaF2 and ZnO are measured using an MCP-PMT detector. Zinc Oxide (ZnO) is an attractive material for fast hard X-ray imaging based on GEANT4 simulations and previous studies, but the measured light yield from the samples is much lower than expected. C1 [Wang, Zhehui; Guardincerri, Elena; Azzouz, M. E.; Barnes, Cris W.; Bond, E. M.; Holtkamp, David; Kapustinsky, J. S.; Klimenko, Alexei V.; Kwiatkowski, K.; Merl, R. B.; Morris, C. L.; Perry, J. O.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Wang, ZH (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM zwang@lanl.gov OI Barnes, Cris/0000-0002-3347-0741; Klimenko, Alexei/0000-0003-4255-9374; Merl, Robert/0000-0002-3096-3081; Morris, Christopher/0000-0003-2141-0255; Perry, John/0000-0003-3639-5617; Bond, Evelyn/0000-0001-7335-4086 NR 31 TC 1 Z9 1 U1 0 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9702-4 J9 PROC SPIE PY 2013 VL 8852 AR 88521A DI 10.1117/12.2022294 PG 13 WC Optics; Physics, Applied; Physics, Particles & Fields SC Optics; Physics GA BHT73 UT WOS:000326643800021 ER PT J AU Ruddy, DA Reid, OG Leonard, BM Pylypenko, S Neale, NR AF Ruddy, Daniel A. Reid, Obadiah G. Leonard, Brian M. Pylypenko, Svitlana Neale, Nathan R. TI Non-aqueous thermolytic route to oxynitride photomaterials using molecular precursors Ti((OBu)-Bu-t)(4) and N Mo((OBu)-Bu-t)(3) SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID PHOTOCATALYTIC DEGRADATION; THERMAL-DECOMPOSITION; HYDROGEN-PRODUCTION; METHYLENE-BLUE; VISIBLE-LIGHT; BAND-GAP; OXIDES; WATER; TIO2; MOLYBDENUM AB Thermolytic decomposition of N Mo(OtBu)(3) with Ti((OBu)-Bu-t)(4) results in mixed-metal oxynitrides that retain 75% of the N from the nitrido precursor. The fundamental photophysics of the oxynitrides were investigated, and TRMC measurements determined that Mo and N are critical to the long charge carrier lifetimes in the microsecond regime. C1 [Ruddy, Daniel A.; Reid, Obadiah G.; Neale, Nathan R.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO USA. [Leonard, Brian M.] Univ Wyoming, Dept Chem, Laramie, WY 82071 USA. [Pylypenko, Svitlana] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. RP Ruddy, DA (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO USA. EM dan.ruddy@nrel.gov; nathan.neale@nrel.gov FU NREL's Laboratory Directed Research & Development (LDRD) program under U.S. Department of Energy [DE-AC36-08-GO28308] FX The authors thank Clay Macomber (NREL) for TG-IR measurements and Nikos Kopidakis (NREL) for helpful discussions. This research was supported by NREL's Laboratory Directed Research & Development (LDRD) program under U.S. Department of Energy under contract no. DE-AC36-08-GO28308. No competing financial interests have been declared. NR 35 TC 1 Z9 1 U1 1 U2 8 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 EI 2050-7496 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 45 BP 14066 EP 14070 DI 10.1039/c3ta13317f PG 5 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 245LL UT WOS:000326465100003 ER PT J AU Shen, SH Kronawitter, CX Wheeler, DA Guo, PH Lindley, SA Jiang, JG Zhang, JZ Guo, LJ Mao, SS AF Shen, Shaohua Kronawitter, Coleman X. Wheeler, Damon A. Guo, Penghui Lindley, Sarah A. Jiang, Jiangang Zhang, Jin Z. Guo, Liejin Mao, Samuel S. TI Physical and photoelectrochemical characterization of Ti-doped hematite photoanodes prepared by solution growth SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID IRON-OXIDE FILMS; NANOROD ARRAYS; WATER OXIDATION; THIN-FILMS; ALPHA-FE2O3 PHOTOELECTRODES; HYDROGEN-PRODUCTION; OXYGEN-PRESSURE; VISIBLE-LIGHT; FEATURE SIZE; PERFORMANCE AB We present the fabrication and characterization of Ti-doped hematite (alpha-Fe2O3) films for application as photoanodes in photoelectrochemical (PEC) cells for water splitting. It is demonstrated that Ti doping significantly improves the PEC activity as the photocurrent at 1.0 V vs. Ag/AgCl electrode for a 400 nm thick Ti-doped film (0.66 mA cm(-2)) was found to be similar to 14 times higher than that of an undoped film (0.045 mA cm(-2)). The films were characterized by X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and ultrafast transient absorption spectroscopy to obtain information about their structural, electronic, and charge carrier dynamic properties. Based on characterization of the chemical states of the involved elements as well as the charge carrier dynamics of the films with Ti doping, it appears that the photocurrent enhancement is related to an increase in charge carrier density or reduced electron-hole recombination. The highest incident photon conversion efficiency (IPCE) measured for this system was 27.0% at 360 nm at a potential of 1.23 V vs. reversible hydrogen electrode (RHE), which was obtained on a 400 nm thick Ti-doped alpha-Fe2O3 film. C1 [Shen, Shaohua; Guo, Penghui; Jiang, Jiangang; Guo, Liejin] Xi An Jiao Tong Univ, State Key Lab Multiphase Flow Power Engn, Int Res Ctr Renewable Energy, Xian 710049, Shaanxi, Peoples R China. [Shen, Shaohua; Kronawitter, Coleman X.; Mao, Samuel S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Mech Engn, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Wheeler, Damon A.; Lindley, Sarah A.; Zhang, Jin Z.] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. RP Shen, SH (reprint author), Xi An Jiao Tong Univ, State Key Lab Multiphase Flow Power Engn, Int Res Ctr Renewable Energy, Xian 710049, Shaanxi, Peoples R China. EM shshen_xjtu@mail.xjtu.edu.cn; ssmao@me.berkeley.edu RI Shen, Shaohua/E-9507-2011 FU National Natural Science Foundation of China [51102194, 51121092]; Doctoral Program of the Ministry of Education [20110201120040]; Nano Research Program of Suzhou City [ZXG2013003]; Fundamental Research Funds for the Central Universities; BES Division of the US DOE; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy; W. M. Keck Center for Nanoscale Opto-fluidics at UC Santa Cruz FX The authors gratefully acknowledge the financial support from the National Natural Science Foundation of China (no. 51102194, no. 51121092), the Doctoral Program of the Ministry of Education (no. 20110201120040) and the Nano Research Program of Suzhou City (ZXG2013003). S. Shen was supported by the "Fundamental Research Funds for the Central Universities". S. A. Lindley acknowledges support from the W. M. Keck Center for Nanoscale Opto-fluidics at UC Santa Cruz. J.Z. Zhang is grateful to the BES Division of the US DOE for financial support. This research has also been partially supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy. NR 69 TC 26 Z9 26 U1 4 U2 94 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 EI 2050-7496 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 46 BP 14498 EP 14506 DI 10.1039/c3ta13453a PG 9 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 249OE UT WOS:000326785700012 ER PT J AU Wang, H Shen, J Cao, GX Gai, Z Hong, KL Debata, PR Banerjee, P Zhou, SQ AF Wang, Hui Shen, Jing Cao, Guixin Gai, Zheng Hong, Kunlun Debata, Priya R. Banerjee, Probal Zhou, Shuiqin TI Multifunctional PEG encapsulated Fe3O4@silver hybrid nanoparticles: antibacterial activity, cell imaging and combined photothermo/chemo-therapy SO JOURNAL OF MATERIALS CHEMISTRY B LA English DT Article ID IRON-OXIDE NANOPARTICLES; MAGNETIC NANOPARTICLES; DRUG-DELIVERY; BIOMEDICAL APPLICATIONS; SILVER NANOPARTICLES; GOLD NANOPARTICLES; INFRARED-SPECTROSCOPY; SHELL NANOPARTICLES; CARBON; NANOCOMPOSITE AB A class of multifunctional hybrid nanoparticles (NPs) that can integrate a magnetic core, silver (Ag) nanocrystals, and a biocompatible poly(ethylene glycol) (PEG) shell were synthesized and characterized and their applications as antibacterial agents, optical labels for cellular imaging and drug carriers were tested. The synthetic strategy involves a one-step solvothermal synthesis of Fe3O4@PEG template NPs (similar to 60 nm) with magnetic Fe3O4 nanocrystals in the core and porous PEG as the shell, followed by loading and in situ reduction of Ag+ ions to form Ag nanocrystals in the shell. The size and number of the Ag nanocrystals embedded in the PEG shell can be readily controlled via a simple reaction condition change, resulting in different nanostructures and properties of the hybrid NPs. Such designed Fe3O4@Ag-PEG hybrid NPs can combine the properties and functions from each component. While the Fe3O4 core provides an easy magnetic separation and targeting and magnetic resonance imaging (MRI) contrast ability, the Ag nanocrystals provide stable strong fluorescence and antibacterial activity. The porous PEG shell with excellent stability in water and non-cytotoxicity can be used as a drug carrier for combined photothermo/chemo-therapy. The small hybrid NPs can enter the intracellular region and light up the mouse melanoma B16F10 cells. This class of hybrid NPs with rational integration of functional building blocks should offer broad opportunities for external magnetic manipulation, imaging diagnostics, antibacterial applications and as drug carriers. C1 [Wang, Hui; Shen, Jing; Debata, Priya R.; Banerjee, Probal; Zhou, Shuiqin] CUNY Coll Staten Isl, Dept Chem, Staten Isl, NY 10314 USA. [Wang, Hui; Shen, Jing; Debata, Priya R.; Banerjee, Probal; Zhou, Shuiqin] CUNY, Grad Ctr, Staten Isl, NY 10314 USA. [Cao, Guixin; Gai, Zheng; Hong, Kunlun] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA. [Cao, Guixin; Gai, Zheng; Hong, Kunlun] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Wang, H (reprint author), CUNY Coll Staten Isl, Dept Chem, Staten Isl, NY 10314 USA. EM shuiqin.zhou@csi.cuny.edu RI wang, hui/G-6433-2015; Cao, Guixin/G-4452-2015; Hong, Kunlun/E-9787-2015 OI Cao, Guixin/0000-0002-9252-1158; Hong, Kunlun/0000-0002-2852-5111 FU PSC-CUNY [64511-00 42]; American Diabetes Association [1-12-BS-243]; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX We gratefully acknowledge the financial support from the PSC-CUNY Research Award (64511-00 42) and American Diabetes Association (Basic Science Award 1-12-BS-243). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 63 TC 23 Z9 23 U1 2 U2 89 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-750X EI 2050-7518 J9 J MATER CHEM B JI J. Mat. Chem. B PY 2013 VL 1 IS 45 BP 6225 EP 6234 DI 10.1039/c3tb21055c PG 10 WC Materials Science, Biomaterials SC Materials Science GA 247UV UT WOS:000326648800005 ER PT J AU Saha, AK Sharma, P Sohn, HB Ghosh, S Das, RK Hebard, AF Zeng, HD Baligand, C Walter, GA Moudgil, BM AF Saha, Ajoy K. Sharma, Parvesh Sohn, Han-Byul Ghosh, Siddhartha Das, Ritesh K. Hebard, Arthur F. Zeng, Huadong Baligand, Celine Walter, Glenn A. Moudgil, Brij M. TI Fe doped CdTeS magnetic quantum dots for bioimaging SO JOURNAL OF MATERIALS CHEMISTRY B LA English DT Article ID SEMICONDUCTOR NANOCRYSTALS; SILICA SPHERES; FLUORESCENCE; NANOCOMPOSITES; NANOPARTICLES; EXCHANGE; PHOTOLUMINESCENCE; DELIVERY; PROBES; CELLS AB A facile synthesis of 3-6 nm, water dispersible, near-infrared (NIR) emitting, quantum dots (QDs) magnetically doped with Fe is presented. Doping of alloyed CdTeS nanocrystals with Fe was achieved in situ using a simple hydrothermal method. The magnetic quantum dots (MQDs) were capped with N-acetyl-cysteine (NAC) ligands, containing thiol and carboxylic acid functional groups to provide stable aqueous dispersion. The optical and magnetic properties of the Fe doped MQDs were characterized using several techniques. The synthesized MQDs are tuned to emit in the vis-NIR (530-738 nm) wavelength regime and have high quantum yields (67.5-10%). NIR emitting (738 nm) MQDs having 5.6 atomic% Fe content exhibited saturation magnetization of 85 emu per g [ Fe] at room temperature. Proton transverse relaxivity of the Fe doped MQDs (738 nm) at 4.7 T was determined to be 3.6 mM(-1) s(-1). The functional evaluation of NIR MQDs has been demonstrated using phantom and in vitro studies. These water dispersible, NIR emitting and MR contrast producing Fe doped CdTeS MQDs, in an unagglomerated form, have the potential to act as multimodal contrast agents for tracking live cells. C1 [Saha, Ajoy K.; Sharma, Parvesh; Sohn, Han-Byul; Moudgil, Brij M.] Univ Florida, Particle Engn Res Ctr, Gainesville, FL 32611 USA. [Ghosh, Siddhartha; Hebard, Arthur F.] Univ Florida, Dept Chem, Gainesville, FL 32611 USA. [Das, Ritesh K.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Zeng, Huadong] Univ Florida, McKnight Brain Inst, Adv Magnet Resonance Imaging & Spect Facil, Natl High Magnet Field Lab, Gainesville, FL 32610 USA. [Baligand, Celine; Walter, Glenn A.] Univ Florida, Gainesville, FL 32611 USA. RP Saha, AK (reprint author), Univ Florida, Particle Engn Res Ctr, Gainesville, FL 32611 USA. EM bmoudgil@perc.ufl.edu FU National Science Foundation [0506560, 0749481, 1005301]; NHLBI - NIH [P01 HL59412] FX We thank the Major Analytical Instrumentation Center (MAIC) at the University of Florida for assistance with XRD, XPS and TEM characterization of the MQDs. MRI data were obtained at the Advanced Magnetic Resonance Imaging and Spectroscopy (AMRIS) facility in the McKnight Brain Institute of the University of Florida. This project was supported by the National Science Foundation's "Nanotechnology Interdisciplinary Research Team (NIRT)" Grant No. 0506560, CPaSS Grant No. 0749481, Grant No. 1005301 (AFH), NHLBI - NIH P01 HL59412, National High Magnetic Field Laboratory. The authors thank Dr Paul Holloway, Professor, Materials Science and Engineering, University of Florida for fruitful discussions. NR 49 TC 5 Z9 5 U1 2 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-750X EI 2050-7518 J9 J MATER CHEM B JI J. Mat. Chem. B PY 2013 VL 1 IS 45 BP 6312 EP 6320 DI 10.1039/c3tb20859a PG 9 WC Materials Science, Biomaterials SC Materials Science GA 247UV UT WOS:000326648800014 PM 24634776 ER PT J AU Hehlen, MP Sheik-Bahae, M Epstein, RI Melgaard, SD Seletskiy, DV AF Hehlen, Markus P. Sheik-Bahae, Mansoor Epstein, Richard I. Melgaard, Seth D. Seletskiy, Denis V. TI Materials for Optical Cryocoolers SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID BAY2F8 SINGLE-CRYSTAL; THULIUM-DOPED GLASS; ROOM-TEMPERATURE; LASER; REFRIGERATION; LUMINESCENCE; SEMICONDUCTOR; MICROPHONICS; SOLIDS; ORIGIN AB Vibration-free cooling of detectors to cryogenic temperatures is critical for many terrestrial, airborne, and space-based instruments. Cooling of solids by anti-Stokes fluorescence is an emerging refrigeration technology that is inherently vibration-free and compact, and enables cooling of small loads to cryogenic temperatures. In this Highlight, advances in laser-cooling of solids are discussed with a particular focus on the recent breakthrough laser cooling of Yb3+-doped YLiF4 crystals to 114 K. The importance of the material structure, composition, and purity of laser-cooling materials and their influence on the optical refrigerator device performance is emphasized. C1 [Hehlen, Markus P.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Sheik-Bahae, Mansoor; Epstein, Richard I.; Melgaard, Seth D.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Melgaard, Seth D.] Air Force Res Lab, Kirtland AFB, NM 87117 USA. [Seletskiy, Denis V.] Univ Konstanz, Dept Phys, D-78457 Constance, Germany. [Seletskiy, Denis V.] Univ Konstanz, Ctr Appl Photon, D-78457 Constance, Germany. [Epstein, Richard I.] ThermoDynam Films LLC, Santa Fe, NM 87505 USA. RP Hehlen, MP (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Mailstop E549, Los Alamos, NM 87545 USA. EM hehlen@lanl.gov RI Seletskiy, Denis/C-1372-2011 OI Seletskiy, Denis/0000-0003-3480-4595 NR 61 TC 12 Z9 12 U1 1 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 EI 2050-7534 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2013 VL 1 IS 45 BP 7471 EP 7478 DI 10.1039/c3tc31681e PG 8 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 247UP UT WOS:000326648100001 ER PT J AU Alivov, Y Feng, J Molloi, S AF Alivov, Yahya Feng, Jun Molloi, Sabee TI Design of TiO2 nanotube based X-ray tube with single focusing electrode SO JOURNAL OF X-RAY SCIENCE AND TECHNOLOGY LA English DT Article DE Nanotubes; field emitters; X-ray source; electron beam; electrostatic electron lens; focal spot size ID FIELD-EMISSION; COMPUTED-TOMOGRAPHY; CARBON NANOTUBES; LENS SYSTEMS; MICRO-CT; RECONSTRUCTION; RADIOGRAPHY; FABRICATION; SIMULATION; EMITTERS AB We studied in details the effect of various X-ray tube parameters (cathode size, anode size, anode -lens distance, etc.) on TiO2 nanotube field emission electron-beam focal spot size (FSS) and lens voltages for a single electrode lens system. The simulations were performed using commercially available SIMION 8.1 software. A wide range of parameters was simulated to determine conditions when FSS and lens focusing voltage had minimum values. In particular, the dependence of FSS and lens voltages on cathode size (dS) was studied for different size lens apertures (dL) and different anode voltages. The cathode size dS was varied in the range from 0.1 mm to dL; the dL was changed from 4 to 24 mm in 4 mm increments. The simulations were performed for two different VA values 60 kV and 120 kV. It was found that for 20 mm and 24 mm diameter lens apertures the maximum cathode size when the resulting FSS was not greater than 1600 mu m (the focal spot size in clinical X-ray CT) were 17.5 mm and 16.2 mm, respectively. The lens voltages Vf corresponding to 17.5 mm and 16.2 mm cathode size in 20 mm and 24 mm aperture diameter x-ray tubes are 1850 V and -1550 V, respectively. C1 [Alivov, Yahya; Molloi, Sabee] Univ Calif Irvine, Dept Radiol Sci, Irvine, CA 92697 USA. [Feng, Jun] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Alivov, Y (reprint author), Univ Calif Irvine, Dept Radiol Sci, Irvine, CA 92697 USA. EM alivov.y@gmail.com FU AAPM seed grant FX The authors gratefully acknowledge the support of the AAPM seed grant. NR 33 TC 1 Z9 1 U1 1 U2 8 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0895-3996 EI 1095-9114 J9 J X-RAY SCI TECHNOL JI J. X-Ray Sci. Technol. PY 2013 VL 21 IS 4 BP 567 EP 577 DI 10.3233/XST-130387 PG 11 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 248ZZ UT WOS:000326747000011 PM 24191993 ER PT S AU Lee, TL Khong, JC Fezzaa, K Mi, J AF Lee, T. L. Khong, J. C. Fezzaa, K. Mi, J. BE Stone, I McKay, B Fan, ZY TI Ultrafast X-ray Imaging and Modelling of Ultrasonic Cavitations in Liquid Metal SO LIGHT METALS TECHNOLOGY 2013 SE Materials Science Forum LA English DT Proceedings Paper CT 6th International Light Metals Technology Conference (LMT 2013) CY JUL 24-26, 2013 CL Brunel Univ, BCAST, Old Windsor, ENGLAND HO Brunel Univ, BCAST DE Ultrasonic cavitation; Liquid metal; Ultrafast X-ray phase contrast imaging; Modelling AB The dynamics of ultrasonic bubbles in liquid metal are captured in-situ for the first time using the ultrafast X-ray phase contrast imaging facility housed at the Advanced Photon Source, Argonne National Laboratory, in the USA. The experimental observations are complemented by the simulations of the acoustic pressure field, the bubble diameter oscillation and the associated pressure and velocity pulses at the bubble wall due to the alternating pressure wave. The experiment and simulation agree well and provide more quantitative insight into the understanding of the highly transient behaviour of the ultrasonic bubbles and their interaction with the surrounding liquid metal. C1 [Lee, T. L.; Khong, J. C.; Mi, J.] Univ Hull, Sch Engn, Cottingham Rd, Kingston Upon Hull HU6 7RX, East Yorkshire, England. [Fezzaa, K.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Lee, TL (reprint author), Univ Hull, Sch Engn, Cottingham Rd, Kingston Upon Hull HU6 7RX, East Yorkshire, England. EM T.L.Lee@2010.hull.ac.uk; J.C.Khong@2010.hull.ac.uk; Fezzaa@aps.anl.gov; J.Mi@hull.ac.uk NR 8 TC 3 Z9 3 U1 1 U2 4 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2013 VL 765 BP 190 EP + DI 10.4028/www.scientific.net/MSF.765.190 PG 2 WC Engineering, Mechanical; Metallurgy & Metallurgical Engineering SC Engineering; Metallurgy & Metallurgical Engineering GA BHQ88 UT WOS:000326408600037 ER PT S AU Mathis, K Capek, J Lukas, P Brownd, D Clausen, B AF Mathis, Kristian Capek, Jan Lukas, Petr Brownd, Donald Clausen, Bjorn BE Stone, I McKay, B Fan, ZY TI Investigation of Twinning Activity in Magnesium Using Advanced In-Situ Methods SO LIGHT METALS TECHNOLOGY 2013 SE Materials Science Forum LA English DT Proceedings Paper CT 6th International Light Metals Technology Conference (LMT 2013) CY JUL 24-26, 2013 CL Brunel Univ, BCAST, Old Windsor, ENGLAND HO Brunel Univ, BCAST DE Magnesium; Acoustic emission; Neutron diffraction; Twinning; Elastic-plastic self-consistent (EPSC) model ID NEUTRON-DIFFRACTION; DEFORMATION; ALLOY; AL AB The high-resolution neutron diffraction and acoustic emission (AE) techniques have been used for in-situ investigation of deformation twinning and microstructure evolution in cast polycrystalline magnesium. The combination of these two techniques results in obtaining complementary information about the twinning mechanism and evolution of the dislocation structure during the straining. The dependence of the mechanisms of the plastic deformation on loading mode is discussed in detail. The microscopy investigations revealed a difference in twin number and size after tension and compression, respectively. C1 [Mathis, Kristian; Capek, Jan] Charles Univ Prague, Fac Math & Phys, Dept Phys Mat, CR-12116 Prague, Czech Republic. ASCR, Nucl Phys Inst, Rez 25068, Czech Republic. [Lukas, Petr; Brownd, Donald] Los Alamos Natl Lab, Mater Sci & Technol Div, Los Alamos, NM 87545 USA. [Clausen, Bjorn] Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Mathis, K (reprint author), Charles Univ Prague, Fac Math & Phys, Dept Phys Mat, Ke Karlovu 5, CR-12116 Prague, Czech Republic. EM mathis@met.mff.cuni.cz; jan.capek@centrum.cz; lukas@ujf.cas.cz; dbrown@lanl.gov; clausen@lanl.gov RI Lukas, Petr/G-8051-2014; Clausen, Bjorn/B-3618-2015; Capek, Jan/C-5821-2015; Mathis, Kristian/C-1019-2013 OI Clausen, Bjorn/0000-0003-3906-846X; Capek, Jan/0000-0002-2078-7889; Mathis, Kristian/0000-0002-3214-2623 NR 12 TC 2 Z9 2 U1 0 U2 10 PU TRANS TECH PUBLICATIONS LTD PI STAFA-ZURICH PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2013 VL 765 BP 532 EP 536 DI 10.4028/www.scientific.net/MSF.765.532 PG 5 WC Engineering, Mechanical; Metallurgy & Metallurgical Engineering SC Engineering; Metallurgy & Metallurgical Engineering GA BHQ88 UT WOS:000326408600104 ER PT S AU Kamuda, M Cui, YG Lall, T Ionson, J Camarda, GS Hossain, A Yang, G Roy, UN James, RB AF Kamuda, Mark Cui, Yonggang Lall, Terry Ionson, Jim Camarda, Giuseppe S. Hossain, Anwar Yang, Ge Roy, Utpal N. James, Ralph B. BE Barber, HB Roehrig, H TI Modeling of a Slanted-Hole Collimator in a Compact Endo-cavity Gamma Camera SO MEDICAL APPLICATIONS OF RADIATION DETECTORS III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Applications of Radiation Detectors III CY AUG 28-29, 2013 CL San Diego, CA SP SPIE DE prostate cancer; gamma camera; nuclear medical imaging; CdZnTe; CZT; slanted-hole; collimator AB Having the ability to take an accurate 3D image of a tumor greatly helps doctors diagnose it and then create a treatment plan for a patient. One way to accomplish molecular imaging is to inject a radioactive tracer into a patient and then measure the gamma rays emitted from regions with high-uptake of the tracer, viz., the cancerous tissues. In large, expensive PET-or SPECT-imaging systems, the 3D imaging easily is accomplished by rotating the gamma-ray detectors and then employing software to reconstruct the 3D images from the multiple 2D projections at different angles of view. However, this method is impractical in a very compact imaging system due to anatomical considerations, e. g., the transrectal gamma camera under development at Brookhaven National Laboratory (BNL) for detection of intra-prostatic tumors. The camera uses pixilated cadmium zinc telluride (CdZnTe or CZT) detectors with matched parallel-hole collimator. Our research investigated the possibility of using a collimator with slanted holes to create 3D pictures of a radioactive source. The underlying concept is to take 2D projection images at different angles of view by adjusting the slant angle of the collimator, then using the 2D projection images to reconstruct the 3D image. To do this, we first simulated the response of a pixilated CZT detector to radiation sources placed in the field of view of the camera. Then, we formulated an algorithm to use the simulation results as prior knowledge and estimate the distribution of a shaped source from its 2D projection images. From the results of the simulation, we measured the spatial resolution of the camera as similar to 7-mm at a depth of 13.85-mm when using a detector with 2.46-mm pixel pitch and a collimator with 60 degrees slant angle. C1 [Kamuda, Mark; Cui, Yonggang; Camarda, Giuseppe S.; Hossain, Anwar; Yang, Ge; Roy, Utpal N.; James, Ralph B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Kamuda, M (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 2 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9703-1 J9 PROC SPIE PY 2013 VL 8853 AR 88530L DI 10.1117/12.2026854 PG 6 WC Physics, Applied; Radiology, Nuclear Medicine & Medical Imaging SC Physics; Radiology, Nuclear Medicine & Medical Imaging GA BHU63 UT WOS:000326692300014 ER PT S AU Lacey, I Artemiev, NA McKinney, WR Merthe, DJ Yashchuk, VV AF Lacey, Ian Artemiev, Nikolay A. McKinney, Wayne R. Merthe, Daniel J. Yashchuk, Valeriy V. BE Fahnle, OW Williamson, R Kim, DW TI High precision surface metrology of x-ray optics with an interferometric microscope SO OPTICAL MANUFACTURING AND TESTING X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Optical Manufacturing and Testing X CY AUG 26-27, 2013 CL San Diego, CA SP SPIE DE interferometric microscope; optical aberration; modulation transfer function; power spectral density; x-ray optics; optical metrology AB We describe a systematic procedure developed for surface characterization of super polished x-ray optical components with an interferometric microscope. In this case, obtaining trustworthy metrology data requires thorough accounting of the instrument's optical aberrations, its spatial resolution, and random noise. We analyze and cross compare two general experimental approaches to eliminate the aberration contribution. The reference surface approach relies on aberration evaluation with successive measurements of a high quality reference mirror. The so called super smooth measurement mode consists of subtracting two surface profiles measured over two statistically uncorrelated areas of the optics under test. The precisely measured instrument's modulation transfer function (MTF) and random noise spectrum allows us to correct the aberration-amended surface topography in the spatial frequency domain. While the developed measurement procedure is general and can be applied to various metrology instruments, the specific results presented are from a Zygo NewView (TM) 7300 microscope. C1 [Lacey, Ian; Artemiev, Nikolay A.; McKinney, Wayne R.; Merthe, Daniel J.; Yashchuk, Valeriy V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Lacey, I (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM ilacey@lbl.gov RI McKinney, Wayne/F-2027-2014 OI McKinney, Wayne/0000-0003-2586-3139 NR 12 TC 1 Z9 1 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9688-1 J9 PROC SPIE PY 2013 VL 8838 AR 883808 DI 10.1117/12.2024416 PG 8 WC Optics SC Optics GA BHU99 UT WOS:000326720200007 ER PT S AU Grim, GP Morgan, GL Aragonez, R Archuleta, TN Bower, DE Danly, CR Drury, OB Dzenitis, JM Fatherley, VE Felker, B Fittinghoff, DN Guler, N Merrill, FE Oertel, JA Wilde, CH Wilke, MD AF Grim, G. P. Morgan, G. L. Aragonez, R. Archuleta, T. N. Bower, D. E. Danly, C. R. Drury, O. B. Dzenitis, J. M. Fatherley, V. E. Felker, B. Fittinghoff, D. N. Guler, N. Merrill, F. E. Oertel, J. A. Wilde, C. H. Wilke, M. D. BE Grim, GP Barber, HB TI The 27.3 meter neutron time-of-flight system for the National Ignition Facility SO PENETRATING RADIATION SYSTEMS AND APPLICATIONS XIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Penetrating Radiation Systems and Applications XIV CY AUG 28, 2013 CL San Diego, CA SP SPIE DE Neutron time-of-flight; Inertial Confinement Fusion; Scintillators ID ION-TEMPERATURE; FUSION; SPECTROSCOPY; DETECTOR; SPECTRA AB One of the scientific goals of the National Ignition Facility (NIF) at Lawrence Livermore National Laboratory, Livermore CA, is to obtain thermonuclear ignition by compressing 2.2 mm diameter capsules filed with deuterium and tritium to densities approaching 1000 g/cm(3) and temperatures in excess of 4 keV. The fusion reaction d + t -> n + alpha results in a 14.03 MeV neutron providing a source of diagnostic particles to characterize the implosion. The spectrum of neutrons emanating from the assembly may be used to infer the fusion yield, plasma ion temperature, and fuel areal density, all key diagnostic quantities of implosion quality. The neutron time-of-flight (nToF) system co-located along the Neutron Imaging System line-of-site, (NIToF), is a set of 4 scintillation detectors located approximately 27.3 m from the implosion source. Neutron spectral information is inferred using arrival time at the detector. The NIToF system is described below, including the hardware elements, calibration data, analysis methods, and an example of its basic performance characteristics. C1 [Grim, G. P.; Morgan, G. L.; Aragonez, R.; Archuleta, T. N.; Danly, C. R.; Fatherley, V. E.; Guler, N.; Merrill, F. E.; Oertel, J. A.; Wilde, C. H.; Wilke, M. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Grim, GP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM gpgrim@lanl.gov OI Merrill, Frank/0000-0003-0603-735X NR 21 TC 4 Z9 4 U1 1 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9704-8 J9 PROC SPIE PY 2013 VL 8854 AR 88540G DI 10.1117/12.2030170 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA BHV31 UT WOS:000326732100008 ER PT S AU Jimenez, ES Orr, LJ AF Jimenez, Edward S. Orr, Laurel J. BE Grim, GP Barber, HB TI Rethinking the Union of Computed Tomography Reconstruction and GPGPU Computing SO PENETRATING RADIATION SYSTEMS AND APPLICATIONS XIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Penetrating Radiation Systems and Applications XIV CY AUG 28, 2013 CL San Diego, CA SP SPIE AB This work will present the utilization of the massively multi-threaded environment of graphics processors (GPUs) to improve the computation time needed to reconstruct large computed tomography (CT) datasets and the arising challenges for system implementation. Intelligent algorithm design for massively multi-threaded graphics processors differs greatly from traditional CPU algorithm design. Although a brute force port of a CPU algorithm to a GPU kernel may yield non-trivial performance gains, further measurable gains could be achieved by designing the algorithm with consideration given to the computing architecture. Previous work has shown that CT reconstruction on GPUs becomes an irregular problem for large datasets (10GB-4TB),(1) thus memory bandwidth at the host and device levels becomes a significant bottleneck for industrial CT applications. We present a set of GPU reconstruction kernels that utilize various GPU-specific optimizations and measure performance impact. C1 [Jimenez, Edward S.; Orr, Laurel J.] Sandia Natl Labs, Albuquerque, NM USA. RP Jimenez, ES (reprint author), Sandia Natl Labs, POB 5800,Mail Stop 0933, Albuquerque, NM USA. EM esjimen@sandia.gov; ljorr@sandia.gov NR 11 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9704-8 J9 PROC SPIE PY 2013 VL 8854 AR 88540A DI 10.1117/12.2029995 PG 11 WC Optics; Physics, Applied SC Optics; Physics GA BHV31 UT WOS:000326732100006 ER PT S AU Lemieux, DA Barber, HB Grim, GP Clark, DD Danly, CR Aragonez, R Griego, J Fatherley, V Fastje, D AF Lemieux, Daniel A. Barber, H. Bradford Grim, Gary P. Clark, David D. Danly, Christopher R. Aragonez, Robert Griego, Jeffrey Fatherley, Valerie Fastje, David BE Grim, GP Barber, HB TI Testing of a Gamma Ray Imaging System at Omega SO PENETRATING RADIATION SYSTEMS AND APPLICATIONS XIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Penetrating Radiation Systems and Applications XIV CY AUG 28, 2013 CL San Diego, CA SP SPIE DE NIF; gamma; LYSO; Omega; scintillator; ignition; fusion AB Successful images of hard X-rays were taken at the OMEGA Laser at the Laboratory for Laser Energetics at the University of Rochester. This facility served as a surrogate for the National Ignition Facility for which this system was designed. Eleven plastic plastic shells filled with He-3 pellets were imploded producing soft and hard X-rays. As the system was designed to image 4.44 MeV gammas the hard X-rays were of particular interest. These bremsstrahlung X-rays were emitted from the outer plastic shell and imaged using the gamma ray imaging system 13 meters away. A number of filtering arrangements were used to do transmission radiography of the source providing spectrum information. A 200-micron pinhole aperture was used to image the source. These shots provide information critical in characterizing the performance of the system. C1 [Lemieux, Daniel A.; Grim, Gary P.; Clark, David D.; Danly, Christopher R.; Aragonez, Robert; Griego, Jeffrey; Fatherley, Valerie] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Lemieux, DA (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. NR 7 TC 0 Z9 0 U1 3 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9704-8 J9 PROC SPIE PY 2013 VL 8854 AR 88540F DI 10.1117/12.2024400 PG 9 WC Optics; Physics, Applied SC Optics; Physics GA BHV31 UT WOS:000326732100007 ER PT S AU Orr, LJ Jimenez, ES AF Orr, Laurel J. Jimenez, Edward S. BE Grim, GP Barber, HB TI Preparing for the 100-Megapixel Detector: Reconstructing a Multi-Terabyte Computed-Tomography Dataset SO PENETRATING RADIATION SYSTEMS AND APPLICATIONS XIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Penetrating Radiation Systems and Applications XIV CY AUG 28, 2013 CL San Diego, CA SP SPIE DE CT reconstruction; GPU; computed tomography; image processing; high-performance computing AB Although there has been progress in applying GPU-technology to Computed-Tomography reconstruction algorithms, much of the work has concentrated on optimizing reconstruction performance for smaller, medical-scale datasets. Industrial CT datasets can vary widely in size and number of projections. With the new advancements in high resolution cameras, it is entirely possible that the Industrial CT community may soon need to pursue a 100-megapixel detector for CT applications. To reconstruct such a massive dataset, simply adding extra GPUs would not be an option as memory and storage bottlenecks would result in prolonged periods of GPU downtime, thus negating performance gains. Additionally, current reconstruction algorithms would not be sufficient due to the various bottlenecks in the processor hardware. Past work has shown that CT reconstruction is an irregular problem for large-scale datasets on a GPU due to the massively parallel environment. This work proposes a high-performance, multi-GPU, modularized approach to reconstruction where computation, memory transfers, and disk I/O are optimized to occur in parallel while accommodating the irregular nature of the computation kernel. Our approach utilizes a dynamic MIMD-type of architecture in a hybrid environment of CUDA and OpenMP. The modularized approach showed an improvement in load-balancing and performance such that a 1 trillion voxel volume was reconstructed from 10,000 100 megapixel projections in less than a day. C1 [Orr, Laurel J.; Jimenez, Edward S.] Sandia Natl Labs, Albuquerque, NM USA. RP Orr, LJ (reprint author), Sandia Natl Labs, POB 5800,Mail Stop 0927, Albuquerque, NM USA. EM ljorr@sandia.gov; esjimen@sandia.gov NR 8 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9704-8 J9 PROC SPIE PY 2013 VL 8854 AR 885409 DI 10.1117/12.2023090 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA BHV31 UT WOS:000326732100005 ER PT S AU Watson, S Hunter, J Morris, C AF Watson, Scott Hunter, James Morris, Christopher BE Grim, GP Barber, HB TI Penetrating radiation: applications at Los Alamos National Laboratory SO PENETRATING RADIATION SYSTEMS AND APPLICATIONS XIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Penetrating Radiation Systems and Applications XIV CY AUG 28, 2013 CL San Diego, CA SP SPIE DE radiography; hydrotesting; muon radiography AB Los Alamos has used penetrating radiography extensively throughout its history dating back to the Manhattan Project where imaging dense, imploding objects was the subject of intense interest. This interest continues today as major facilities like DARHT(1) have become the mainstay of the US Stockpile Stewardship Program(2) and the cornerstone of nuclear weapons certification. Meanwhile, emerging threats to national security from cargo containers and improvised explosive devices (IEDs) have invigorated inspection efforts using muon tomography, and compact x-ray radiography. Additionally, unusual environmental threats, like those from underwater oil spills and nuclear power plant accidents, have caused renewed interest in fielding radiography in severe operating conditions. We review the history of penetrating radiography at Los Alamos and survey technologies as presently applied to these important problems. C1 [Watson, Scott; Hunter, James; Morris, Christopher] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Watson, S (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. OI Watson, Scott/0000-0003-1318-5924; Morris, Christopher/0000-0003-2141-0255 NR 13 TC 0 Z9 0 U1 2 U2 13 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9704-8 J9 PROC SPIE PY 2013 VL 8854 AR 88540H DI 10.1117/12.2030387 PG 10 WC Optics; Physics, Applied SC Optics; Physics GA BHV31 UT WOS:000326732100009 ER PT J AU Gallington, LC Chapman, KW Morelock, CR Chupas, PJ Wilkinson, AP AF Gallington, Leighanne C. Chapman, Karena W. Morelock, Cody R. Chupas, Peter J. Wilkinson, Angus P. TI Orientational order-dependent thermal expansion and compressibility of ZrW2O8 and ZrMo2O8 SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID X-RAY-DIFFRACTION; MATERIAL CUBIC ZRMO2O8; HIGH-PRESSURE; DISORDER PHENOMENA; PHASE-TRANSFORMATIONS; ZIRCONIUM TUNGSTATE; ELASTIC-CONSTANTS; TEMPERATURE; COMPOSITES; TRANSITION AB The role of MO4 (M = W, Mo) orientational disorder in the thermal expansion and compressibility of ZrW2O8 and ZrMo2O8 was investigated via in situ powder X-ray diffraction at elevated temperature and pressure. A dramatic reduction in the bulk modulus of alpha-ZrW2O8, which has ordered WO4 tetrahedra at room temperature, from 65 GPa at room temperature to 47 GPa at 386 K was observed to be concomitant with the onset of a reversible WO4 orientational disordering upon compression. Additionally, the coefficient of thermal expansion (CTE) of the alpha phase became more negative upon compression within the temperature range in which pressure-dependent disorder was observed; alpha(l), over the range 298 to 386 K, was similar to-11 ppm K-1 at 35 MPa but similar to-16 ppm K-1 at 276 MPa. No softening upon heating or change in CTE upon compression was observed for ZrW2O8 above the order -> disorder phase transition temperature. Cubic ZrMo2O8 has a disordered arrangement of MoO4 tetrahedra at all temperatures and pressures accessed in this study. Its bulk modulus was independent of temperature, and its CTE was insensitive to pressure, much like beta-ZrW2O8. The stability/metastability of the cubic and orthorhombic phases upon heating above room temperature and compression is discussed, with a focus on changes in the thermodynamics and kinetics of the cubic <-> orthorhombic transition. C1 [Gallington, Leighanne C.; Morelock, Cody R.; Wilkinson, Angus P.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Chapman, Karena W.; Chupas, Peter J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Wilkinson, Angus P.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. RP Wilkinson, AP (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. EM angus.wilkinson@chemistry.gatech.edu RI Morelock, Cody/C-2831-2012; Wilkinson, Angus/C-3408-2008; Gallington, Leighanne/G-9341-2011 OI Wilkinson, Angus/0000-0003-2904-400X; Gallington, Leighanne/0000-0002-0383-7522 FU National Science Foundation [DMR-0905842]; U.S. DOE [DE-AC02-06CH11357] FX APW acknowledges financial support from the National Science Foundation (Grant # DMR-0905842). Work done at Argonne and use of the Advanced Photon Source, an Office of Science User Facility operated for the U. S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. We are grateful for the assistance of Charles Kurtz and Kevin Beyer with the experimental setup. NR 72 TC 7 Z9 7 U1 5 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 45 BP 19665 EP 19672 DI 10.1039/c3cp52876f PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 245NK UT WOS:000326470200021 PM 24132126 ER PT J AU Velarde, L Wang, HF AF Velarde, Luis Wang, Hong-Fei TI Unified treatment and measurement of the spectral resolution and temporal effects in frequency-resolved sum-frequency generation vibrational spectroscopy (SFG-VS) SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-ORIENTATION; LIPID MONOLAYER; INTERFACES; SURFACE; CHOLESTEROL; ADSORBATES; PULSES; INTERFERENCE; CONDENSATION; CONFORMATION AB The lack of understanding of the temporal effects and the restricted ability to control experimental conditions in order to obtain intrinsic spectral lineshapes in surface sum-frequency generation vibrational spectroscopy (SFG-VS) have limited its applications in surface and interfacial studies. The emergence of high-resolution broadband sum-frequency generation vibrational spectroscopy (HR-BB-SFG-VS) with sub-wavenumber resolution [Velarde et al., J. Chem. Phys., 2011, 135, 241102] offers new opportunities for obtaining and understanding the spectral lineshapes and temporal effects in SFG-VS. Particularly, the high accuracy of the HR-BB-SFG-VS experimental lineshape provides detailed information on the complex coherent vibrational dynamics through direct spectral measurements. Here we present a unified formalism for the theoretical and experimental routes for obtaining an accurate lineshape of the SFG response. Then, we present a detailed analysis of a cholesterol monolayer at the air/water interface with higher and lower resolution SFG spectra along with their temporal response. With higher spectral resolution and accurate vibrational spectral lineshapes, it is shown that the parameters of the experimental SFG spectra can be used both to understand and to quantitatively reproduce the temporal effects in lower resolution SFG measurements. This perspective provides not only a unified picture but also a novel experimental approach to measuring and understanding the frequency-domain and time-domain SFG response of a complex molecular interface. C1 [Velarde, Luis; Wang, Hong-Fei] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Wang, HF (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM hongfei.wang@pnnl.gov RI Wang, Hongfei/B-1263-2010; Velarde, Luis/D-4929-2011 OI Wang, Hongfei/0000-0001-8238-1641; Velarde, Luis/0000-0001-6329-3486 FU Pacific Northwest National Laboratory (PNNL) LDRD program; Department of Energy's Office of Biological and Environmental Research (BER) FX LV thanks Zhou Lu for his help in measuring the picosecond scanning spectrum of cholesterol. LV also thanks Amanda Mifflin for aiding in the HR-SFG measurement. LV and HFW thank the reviewer for asking clarification on the formulation using the first order response function. This work was supported by the Pacific Northwest National Laboratory (PNNL) LDRD program, and was conducted at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility located at the PNNL and sponsored by the Department of Energy's Office of Biological and Environmental Research (BER). NR 76 TC 34 Z9 34 U1 5 U2 52 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 46 BP 19970 EP 19984 DI 10.1039/c3cp52577e PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 249AB UT WOS:000326747200002 PM 24076622 ER PT S AU Humble, TS Sadlier, R AF Humble, Travis S. Sadlier, Ronald BE Meyers, RE Shih, Y Deacon, KS TI Software-defined Quantum Communication Systems SO QUANTUM COMMUNICATIONS AND QUANTUM IMAGING XI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Quantum Communications and Quantum Imaging XI CY AUG 26-29, 2013 CL San Diego, CA SP SPIE DE quantum communication; software-defined systems; cognitive radio ID QKD SYSTEM; RECONCILIATION; STATES; FPGA AB We show how to extend the paradigm of software-defined communication to include quantum communication systems. We introduce the decomposition of a quantum communication terminal into layers separating the concerns of the hardware, software, and middleware. We provide detailed descriptions of how each component operates and we include results of an implementation of the super-dense coding protocol. We argue that the versatility of software-defined quantum communication test beds can be useful for exploring new regimes in communication and rapidly prototyping new systems. C1 [Humble, Travis S.; Sadlier, Ronald] Oak Ridge Natl Lab, Quantum Comp Inst, Oak Ridge, TN 37831 USA. RP Humble, TS (reprint author), Oak Ridge Natl Lab, Quantum Comp Inst, Oak Ridge, TN 37831 USA. EM humblets@ornl.gov NR 18 TC 1 Z9 1 U1 8 U2 30 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9725-3 J9 PROC SPIE PY 2013 VL 8875 AR 88750R DI 10.1117/12.2025165 PG 9 WC Optics; Physics, Applied; Imaging Science & Photographic Technology; Telecommunications SC Optics; Physics; Imaging Science & Photographic Technology; Telecommunications GA BHU77 UT WOS:000326703000016 ER PT J AU Reimer, PJ Bard, E Bayliss, A Beck, JW Blackwell, PG Ramsey, CB Buck, CE Cheng, H Edwards, RL Friedrich, M Grootes, PM Guilderson, TP Haflidason, H Hajdas, I Hatte, C Heaton, TJ Hoffmann, DL Hogg, AG Hughen, KA Kaiser, KF Kromer, B Manning, SW Niu, M Reimer, RW Richards, DA Scott, EM Southon, JR Staff, RA Turney, CSM van der Plicht, J AF Reimer, Paula J. Bard, Edouard Bayliss, Alex Beck, J. Warren Blackwell, Paul G. Ramsey, Christopher Bronk Buck, Caitlin E. Cheng, Hai Edwards, R. Lawrence Friedrich, Michael Grootes, Pieter M. Guilderson, Thomas P. Haflidason, Haflidi Hajdas, Irka Hatte, Christine Heaton, Timothy J. Hoffmann, Dirk L. Hogg, Alan G. Hughen, Konrad A. Kaiser, K. Felix Kromer, Bernd Manning, Sturt W. Niu, Mu Reimer, Ron W. Richards, David A. Scott, E. Marian Southon, John R. Staff, Richard A. Turney, Christian S. M. van der Plicht, Johannes TI INTCAL13 AND MARINE13 RADIOCARBON AGE CALIBRATION CURVES 0-50,000 YEARS CAL BP SO RADIOCARBON LA English DT Article ID LATE-GLACIAL CHRONOLOGY; C-14 CALIBRATION; LAKE SUIGETSU; YOUNGER DRYAS; RESERVOIR AGES; TREE-RINGS; KYR BP; PLANKTONIC-FORAMINIFERA; LAST DEGLACIATION; FIELD INTENSITY AB The IntCal09 and Marine09 radiocarbon calibration curves have been revised utilizing newly available and updated data sets from C-14 measurements on tree rings, plant macrofossils, speleothems, corals, and foraminifera. The calibration curves were derived from the data using the random walk model (RWM) used to generate IntCal09 and Marine09, which has been revised to account for additional uncertainties and error structures. The new curves were ratified at the 21st International Radiocarbon conference in July 2012 and are available as Supplemental Material at www.radiocarbon.org. The database can be accessed at http://intcal.qub.ac.uk/intcal13/. C1 [Reimer, Paula J.; Reimer, Ron W.] Queens Univ Belfast, Sch Geog Archaeol & Palaeoecol, Ctr Climate Environm & Chronol 14CHRONO, Belfast BT7 1NN, Antrim, North Ireland. [Bard, Edouard] Aix Marseille Univ, CEREGE, CNRS, Coll France,IRD, F-13545 Aix En Provence 4, France. [Bayliss, Alex] English Heritage, London EC1N 2ST, England. [Beck, J. Warren] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. [Blackwell, Paul G.; Buck, Caitlin E.; Heaton, Timothy J.; Niu, Mu] Univ Sheffield, Sch Math & Stat, Sheffield S3 7RH, S Yorkshire, England. [Ramsey, Christopher Bronk; Staff, Richard A.] Univ Oxford, Res Lab Archaeol & Hist Art, Oxford OX1 3QY, England. [Cheng, Hai; Edwards, R. Lawrence] Univ Minnesota, Dept Earth Sci, Minneapolis, MN 55455 USA. [Cheng, Hai] Xi An Jiao Tong Univ, Inst Global Environm Change, Xian 710049, Peoples R China. [Friedrich, Michael] Univ Hohenheim, Inst Bot 210, D-70593 Stuttgart, Germany. [Friedrich, Michael; Kromer, Bernd] Heidelberger Akad Wissensch, D-69120 Heidelberg, Germany. [Grootes, Pieter M.] Univ Kiel, Inst Ecosyst Res, D-24098 Kiel, Germany. [Guilderson, Thomas P.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry L397, Livermore, CA 94550 USA. [Guilderson, Thomas P.] Univ Calif Santa Cruz, Ocean Sci Dept, Santa Cruz, CA 95064 USA. [Haflidason, Haflidi] Univ Bergen, Dept Earth Sci, N-5007 Bergen, Norway. [Hajdas, Irka] ETH, Lab Ionenstrahlphys, CH-8092 Zurich, Switzerland. [Hatte, Christine] UMR8212 CEA CNRS UVSQ, Lab Sci Climat & Environm, F-91198 Gif Sur Yvette, France. [Hoffmann, Dirk L.] CENIEH, Burgos 09002, Spain. [Hogg, Alan G.] Univ Waikato, Radiocarbon Dating Lab, Hamilton, New Zealand. [Hughen, Konrad A.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. [Kaiser, K. Felix] Swiss Fed Inst Forest Snow & Landscape Res WSL, CH-8903 Birmensdorf, Switzerland. [Kaiser, K. Felix] Univ Zurich, Dept Geog, CH-8057 Zurich, Switzerland. [Manning, Sturt W.] Cornell Univ, Cornell Tree Ring Lab, Malcolm & Carolyn Wiener Lab Aegean & Near East D, Ithaca, NY 14853 USA. [Richards, David A.] Univ Bristol, Sch Geog Sci, Bristol BS8 1SS, Avon, England. [Scott, E. Marian] Univ Glasgow, Sch Math & Stat, Glasgow G12 8QQ, Lanark, Scotland. [Southon, John R.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Turney, Christian S. M.] Univ New S Wales, Sch Biol Earth & Environm Sci, Climate Change Res Ctr, Sydney, NSW 2052, Australia. [van der Plicht, Johannes] Univ Groningen, Ctr Isotopen Onderzoek, NL-9747 AG Groningen, Netherlands. [van der Plicht, Johannes] Leiden Univ, Fac Archaeol, NL-2300 RA Leiden, Netherlands. RP Reimer, PJ (reprint author), Queens Univ Belfast, Sch Geog Archaeol & Palaeoecol, Ctr Climate Environm & Chronol 14CHRONO, Belfast BT7 1NN, Antrim, North Ireland. EM p.j.reimer@qub.ac.uk RI Hatte, Christine/G-7837-2011; Richards, David/B-7298-2008; van der Plicht, Johannes/B-9994-2013; Bard, Edouard/G-7717-2014; Bronk Ramsey, Christopher/A-3277-2012; Hajdas, Irka/C-6696-2011; Reimer, Paula/I-5915-2015; Blackwell, Paul/F-2885-2017; OI Hatte, Christine/0000-0002-7086-2672; Richards, David/0000-0001-8389-8079; Blackwell, Paul/0000-0002-3141-4914; Turney, Chris/0000-0001-6733-0993; Staff, Richard/0000-0002-8634-014X; Hoffmann, Dirk/0000-0002-9245-2041 FU Natural Environment Research Council, UK [NE/I01666X/1, NE/E019129/1]; The US National Science Foundation; IGBP - PAGES (International Geosphere-Biosphere Programme - Past Global Changes) Project; College de France; 14CHRONO Centre; QUB FX Funding for this work was provided in part by the Natural Environment Research Council, UK grant NE/I01666X/1 and NE/E019129/1. The US National Science Foundation supported contributions by some of the coauthors. Travel expenses for 2 members to attend Working Group meetings of the IntCal Oversight Committee were funded by IGBP - PAGES (International Geosphere-Biosphere Programme - Past Global Changes) Project. Additional support for the working group meetings was provided by the College de France, the 14CHRONO Centre, QUB and by individual IWG members. We appreciate the constructive review by Tim Jull and the many useful discussions with Bill Austin, Maarten Blaauw, Raimund Muscheler, Jesper Olsen, and many others. NR 60 TC 1959 Z9 2030 U1 45 U2 310 PU UNIV ARIZONA DEPT GEOSCIENCES PI TUCSON PA RADIOCARBON 4717 E FORT LOWELL RD, TUCSON, AZ 85712 USA SN 0033-8222 EI 1945-5755 J9 RADIOCARBON JI Radiocarbon PY 2013 VL 55 IS 4 SI SI BP 1869 EP 1887 PG 19 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 249YS UT WOS:000326817600002 ER PT J AU Hogg, AG Hua, Q Blackwell, PG Niu, M Buck, CE Guilderson, TP Heaton, TJ Palmer, JG Reimer, PJ Reimer, RW Turney, CSM Zimmerman, SRH AF Hogg, Alan G. Hua, Quan Blackwell, Paul G. Niu, Mu Buck, Caitlin E. Guilderson, Thomas P. Heaton, Timothy J. Palmer, Jonathan G. Reimer, Paula J. Reimer, Ron W. Turney, Christian S. M. Zimmerman, Susan R. H. TI SHCAL13 SOUTHERN HEMISPHERE CALIBRATION, 0-50,000 YEARS CAL BP SO RADIOCARBON LA English DT Article ID RADIOCARBON AGE CALIBRATION; RING DATED WOOD; NEW-ZEALAND; CURVES; C-14; VARIABILITY; INTCAL09; HOLOCENE; OFFSET; ERROR AB The Southern Hemisphere SHCal04 radiocarbon calibration curve has been updated with the addition of new data sets extending measurements to 2145 cal BP and including the ANSTO Younger Dryas Huon pine data set. Outside the range of measured data, the curve is based upon the ern Hemisphere data sets as presented in IntCal13, with an interhemispheric offset averaging 43 +/- 23 yr modeled by an autoregressive process to represent the short-term correlations in the offset. C1 [Hogg, Alan G.] Univ Waikato, Radiocarbon Lab, Hamilton 3240, New Zealand. [Hua, Quan] Australian Nucl Sci & Technol Org, Kirrawee Dc, NSW 2232, Australia. [Blackwell, Paul G.; Niu, Mu; Buck, Caitlin E.; Heaton, Timothy J.] Univ Sheffield, Sch Math & Stat, Sheffield, S Yorkshire, England. [Guilderson, Thomas P.; Zimmerman, Susan R. H.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Palmer, Jonathan G.; Turney, Christian S. M.] Univ New S Wales, Climate Change Res Ctr, Sydney, NSW 2052, Australia. [Palmer, Jonathan G.; Turney, Christian S. M.] Univ New S Wales, Sch Biol Earth & Environm Sci, Sydney, NSW 2052, Australia. [Reimer, Paula J.; Reimer, Ron W.] Queens Univ Belfast, Sch Geog Archaeol & Palaeoecol, Ctr Climate Environm & Chronol 14CHRONO, Belfast BT7 1NN, Antrim, North Ireland. RP Hogg, AG (reprint author), Univ Waikato, Radiocarbon Lab, PB 3105, Hamilton 3240, New Zealand. EM alan.hogg@waikato.ac.nz RI Zimmerman, Susan/A-3351-2013; Blackwell, Paul/F-2885-2017; Reimer, Paula/I-5915-2015; Palmer, Jonathan/J-7834-2012 OI Blackwell, Paul/0000-0002-3141-4914; Turney, Chris/0000-0001-6733-0993; Palmer, Jonathan/0000-0002-6665-4483 NR 26 TC 325 Z9 330 U1 6 U2 53 PU UNIV ARIZONA DEPT GEOSCIENCES PI TUCSON PA RADIOCARBON 4717 E FORT LOWELL RD, TUCSON, AZ 85712 USA SN 0033-8222 EI 1945-5755 J9 RADIOCARBON JI Radiocarbon PY 2013 VL 55 IS 4 SI SI BP 1889 EP 1903 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 249YS UT WOS:000326817600003 ER PT J AU Reimer, PJ Bard, E Bayliss, A Beck, JW Blackwell, PG Ramsey, CB Brown, DM Buck, CE Edwards, RL Friedrich, M Grootes, PM Guilderson, TP Haflidason, H Hajdas, I Hatte, C Heaton, TJ Hogg, AG Hughen, KA Kaiser, KF Kromer, B Manning, SW Reimer, RW Richards, DA Scott, EM Southon, JR Turney, CSM van der Plicht, J AF Reimer, Paula J. Bard, Edouard Bayliss, Alex Beck, J. Warren Blackwell, Paul G. Ramsey, Christopher Bronk Brown, David M. Buck, Caitlin E. Edwards, R. Lawrence Friedrich, Michael Grootes, Pieter M. Guilderson, Thomas P. Haflidason, Haflidi Hajdas, Irka Hatte, Christine Heaton, Timothy J. Hogg, Alan G. Hughen, Konrad A. Kaiser, K. Felix Kromer, Bernd Manning, Sturt W. Reimer, Ron W. Richards, David A. Scott, E. Marian Southon, John R. Turney, Christian S. M. van der Plicht, Johannes TI SELECTION AND TREATMENT OF DATA FOR RADIOCARBON CALIBRATION: AN UPDATE TO THE INTERNATIONAL CALIBRATION (INTCAL) CRITERIA SO RADIOCARBON LA English DT Article ID TREE-RING CHRONOLOGIES; ACCELERATOR MASS-SPECTROMETRY; LATE-GLACIAL CHRONOLOGY; SOIL ORGANIC-MATTER; CAL KYR BP; AGE CALIBRATION; YOUNGER-DRYAS; C-14 CALIBRATION; LAST DEGLACIATION; RESERVOIR AGES AB High-quality data from appropriate archives are needed for the continuing improvement of radiocarbon calibration curves. We discuss here the basic assumptions behind C-14 dating that necessitate calibration and the relative strengths and weaknesses of archives from which calibration data are obtained. We also highlight the procedures, problems, and uncertainties involved in determining atmospheric and surface ocean C-14/C-12 in these archives, including a discussion of the various methods used to derive an independent absolute timescale and uncertainty. The types of data required for the current IntCal database and calibration curve model are tabulated with examples. C1 [Reimer, Paula J.; Brown, David M.; Reimer, Ron W.] Queens Univ Belfast, Sch Geog Archaeol & Palaeoecol, Ctr Climate Environm & Chronol 14CHRONO, Belfast BT7 1NN, Antrim, North Ireland. [Bard, Edouard] Aix Marseille Univ, CEREGE, CNRS, Coll France,IRD, F-13545 Aix En Provence 4, France. [Bayliss, Alex] English Heritage, London EC1N 2ST, England. [Beck, J. Warren] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. [Blackwell, Paul G.; Buck, Caitlin E.; Heaton, Timothy J.] Univ Sheffield, Sch Math & Stat, Sheffield S3 7RH, S Yorkshire, England. [Ramsey, Christopher Bronk] Univ Oxford, Res Lab Archaeol & Hist Art, Oxford OX1 3QY, England. [Edwards, R. Lawrence] Univ Minnesota, Dept Earth Sci, Minneapolis, MN 55455 USA. [Friedrich, Michael] Univ Hohenheim, Inst Bot 210, D-70593 Stuttgart, Germany. [Friedrich, Michael; Kromer, Bernd] Heidelberger Akad Wissensch, D-69120 Heidelberg, Germany. [Grootes, Pieter M.] Univ Kiel, Inst Ecosyst Res, D-24098 Kiel, Germany. [Guilderson, Thomas P.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry L397, Livermore, CA 94550 USA. [Guilderson, Thomas P.] Univ Calif Santa Cruz, Ocean Sci Dept, Santa Cruz, CA 95064 USA. [Haflidason, Haflidi] Univ Bergen, Dept Earth Sci, N-5007 Bergen, Norway. [Hajdas, Irka] ETH, Lab Ionenstrahlphys, CH-8092 Zurich, Switzerland. [Hatte, Christine] UMR8212 CEA CNRS UVSQ, Lab Sci Climat & Environm, F-91198 Gif Sur Yvette, France. [Hogg, Alan G.] Univ Waikato, Radiocarbon Dating Lab, Hamilton, New Zealand. [Hughen, Konrad A.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. [Kaiser, K. Felix] Swiss Fed Inst Forest Snow & Landscape Res WSL, CH-8903 Birmensdorf, Switzerland. [Kaiser, K. Felix] Univ Zurich Irchel, Dept Geog, CH-8057 Zurich, Switzerland. [Manning, Sturt W.] Cornell Univ, Cornell Tree Ring Lab, Malcolm & Carolyn Wiener Lab Aegean & Near East D, Ithaca, NY 14853 USA. [Richards, David A.] Univ Bristol, Sch Geog Sci, Bristol BS8 1SS, Avon, England. [Scott, E. Marian] Univ Glasgow, Sch Math & Stat, Glasgow G12 8QQ, Lanark, Scotland. [Southon, John R.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Turney, Christian S. M.] Univ New S Wales, Sch Biol Earth & Environm Sci, Climate Change Res Ctr, Sydney, NSW 2052, Australia. [van der Plicht, Johannes] Univ Groningen, Ctr Isotopen Onderzoek, NL-9747 AG Groningen, Netherlands. [van der Plicht, Johannes] Leiden Univ, Fac Archaeol, NL-2300 RA Leiden, Netherlands. RP Reimer, PJ (reprint author), Queens Univ Belfast, Sch Geog Archaeol & Palaeoecol, Ctr Climate Environm & Chronol 14CHRONO, Belfast BT7 1NN, Antrim, North Ireland. EM p.j.reimer@qub.ac.uk RI Hatte, Christine/G-7837-2011; Richards, David/B-7298-2008; van der Plicht, Johannes/B-9994-2013; Bard, Edouard/G-7717-2014; Bronk Ramsey, Christopher/A-3277-2012; Hajdas, Irka/C-6696-2011; Reimer, Paula/I-5915-2015; Blackwell, Paul/F-2885-2017; OI Hatte, Christine/0000-0002-7086-2672; Richards, David/0000-0001-8389-8079; Blackwell, Paul/0000-0002-3141-4914; Turney, Chris/0000-0001-6733-0993 FU Leverhulme Trust; Natural Environment Research Council, UK [NE/I01666X/1, NE/E019129/1]; US National Science Foundation; IGBP - PAGES (International Geosphere-Biosphere Programme - Past Global Changes) Project; College de France; 14CHRONO Centre; QUB FX The IntCal Working Group network was initially funded by the Leverhulme Trust. Funding for this work was provided in part by the Natural Environment Research Council, UK grant NE/I01666X/1 and NE/E019129/1 and the US National Science Foundation supported contributions by some of the coauthors. Travel expenses for two members of the IntCal Oversight Committee to attend working group meetings were funded by the IGBP - PAGES (International Geosphere-Biosphere Programme - Past Global Changes) Project. Additional support for the Working Group meetings was provided by the College de France, the 14CHRONO Centre, QUB, and by individual members. The authors wish to thank Achim Brauer for his constructive review. NR 143 TC 17 Z9 18 U1 4 U2 34 PU UNIV ARIZONA DEPT GEOSCIENCES PI TUCSON PA RADIOCARBON 4717 E FORT LOWELL RD, TUCSON, AZ 85712 USA SN 0033-8222 EI 1945-5755 J9 RADIOCARBON JI Radiocarbon PY 2013 VL 55 IS 4 SI SI BP 1923 EP 1945 PG 23 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 249YS UT WOS:000326817600005 ER PT J AU Kang, SP Kim, ES Shin, JY Kim, HT Kang, JW Cha, JH Kim, KS AF Kang, Seong-Pil Kim, Eun Sung Shin, Ju-Young Kim, Hyun-Taek Kang, Jeong Won Cha, Jong-Ho Kim, Ki-Sub TI Unusual synergy effect on methane hydrate inhibition when ionic liquid meets polymer SO RSC ADVANCES LA English DT Article ID DUAL FUNCTION INHIBITORS; DOSAGE AB We report the concept of combining ionic liquids (ILs) with polymer inhibitors to more effectively inhibit methane hydrate formation. The new inhibitors extended the induction time and decreased the growth rate of the hydrate. It was found that the presence of a hydroxyl group on IL provided the most powerful inhibition effect by forming hydrogen bonds between IL and water molecules. C1 [Kang, Seong-Pil; Shin, Ju-Young] Korea Inst Energy Res, Greenhouse Gas Dept, Taejon 305343, South Korea. [Kim, Eun Sung; Kim, Hyun-Taek; Kim, Ki-Sub] Korea Natl Univ Transportat, Dept Chem & Biol Engn, Chungbuk 380702, South Korea. [Shin, Ju-Young] Hanyang Univ, Dept Chem Engn, Seoul 133791, South Korea. [Kang, Jeong Won] Korea Natl Univ Transportat, Grad Sch Transportat, Dept Transportat Syst Engn, Uiwang Si 437763, Gyeonggi Do, South Korea. [Cha, Jong-Ho] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Kim, KS (reprint author), Korea Natl Univ Transportat, Dept Chem & Biol Engn, 50 Daehak Ro, Chungbuk 380702, South Korea. EM kks1114@ut.ac.kr OI Kang, Seong-Pil/0000-0003-4191-9796 FU National Research Foundation of Korea (NRF); Ministry of Education, Science and Technology [2012R1A1A2041510]; Korea Institute of Energy Technology Evaluation and Planning (KETEP); Korea government Ministry of Knowledge Economy [2013251010005C] FX This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2012R1A1A2041510). This work was also supported by the Energy Efficiency & Resources Program of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korea government Ministry of Knowledge Economy (no. 2013251010005C). NR 18 TC 11 Z9 11 U1 3 U2 16 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 43 BP 19920 EP 19923 DI 10.1039/c3ra43891k PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 238MK UT WOS:000325950600041 ER PT J AU Kelly, RT Sheen, AM Jambovane, S AF Kelly, Ryan T. Sheen, Allison M. Jambovane, Sachin TI Multilayer microfluidic devices created from a single photomask SO RSC ADVANCES LA English DT Article ID ELECTROPHORESIS; MICROCHANNELS; LITHOGRAPHY; SYSTEMS; VALVES AB The time and expense associated with high quality photomask production can discourage the creation of multilayer microfluidic devices, as each layer currently requires a separate photomask. Here we describe an approach in which multilayer microfabricated devices can be made from a single photomask. The separate layers and their corresponding alignment marks are arranged in separate halves of the mask for two layer devices or quadrants for four layer devices. Selective exposure of the photomask features and rotation of the device substrate between exposures result in multiple copies of the devices on each wafer. Subsequent layers are aligned to patterned features on the substrate with the same alignment accuracy that is achieved using separate photomasks. We demonstrate this approach by fabricating devices employing multilayer soft lithography (MSL) for pneumatic valving. MSL devices containing as many as 5 layers (4 aligned fluidic layers plus a manually aligned control layer) were successfully created using this approach. Device design is also modularized, enabling the presence or absence of features as well as channel heights to be selected independently from one another. The use of a single photomask to create multilayer devices results in a dramatic savings of time and/or money required to advance from device design to completed prototype. C1 [Kelly, Ryan T.; Sheen, Allison M.; Jambovane, Sachin] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Kelly, RT (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999, Richland, WA 99352 USA. EM ryan.kelly@pnnl.gov RI Kelly, Ryan/B-2999-2008; Jambovane, Sachin/G-2865-2016 OI Kelly, Ryan/0000-0002-3339-4443; Jambovane, Sachin/0000-0002-5063-6969 FU US DOE's Office of Biological and Environmental Research FX A portion of this research was conducted under the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL), a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy (DOE). Additional support was provided by the intramural program of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). The EMSL is a national scientific user facility sponsored by US DOE's Office of Biological and Environmental Research and located at PNNL in Richland, WA. NR 17 TC 4 Z9 4 U1 1 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 43 BP 20138 EP 20142 DI 10.1039/c3ra43732a PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 238MK UT WOS:000325950600075 ER PT J AU Bayer, IS Ghosh, A Labriola, M Biris, AS Dervishi, E Watanabe, F Wang, T Slaboch, C Ovaert, TC Biswas, A AF Bayer, Ilker S. Ghosh, Anindya Labriola, Matthew Biris, Alexandru S. Dervishi, Enkeleda Watanabe, Fumiya Wang, Tao Slaboch, Constance Ovaert, Timothy C. Biswas, Abhijit TI Fabrication of bionanocomposites comprising flat nanocrystals of calcium in collagen fibers exhibiting hardness comparable to metal SO RSC ADVANCES LA English DT Article ID HYBRID MATERIALS; BONE SUBSTITUTE; POLYMER-FILMS; DESIGN; SCAFFOLDS; NANOCOMPOSITES; COMPOSITES; BIOMINERALIZATION; BIONANOMATERIALS; MECHANISMS AB In nature's biomineralization process, living organisms naturally incorporate insoluble mineral compounds into their nano and molecular scale biological structures which results in formation of unusually hard but significantly less brittle biominerals. Mimicking nature's biomineralization process, here we present a novel nanoscale design of a brick-mortar type structure constructed at room temperature that consists of two-dimensional nanocrystals of calcite and calcium polyphosphate (bricks) bound together with an amorphous soft biopolymer phase (mortar). The resulting mesocrystalline-like biomineralized nanocomposite scaffolds combine both the properties of thin calcium containing nanocrystals and the organic phase surrounding them, and accurately replicate the micro-and lamellar-level mechanical and structural properties of bone. The flat morphology of calcium containing nanocrystals (<50 nm) is shown to dramatically enhance the mechanical properties of bioscaffolds that exhibit hardness comparable to biomedical tantalum and titanium. By changing the ratio of hard to soft phases within the bionanocomposites, we demonstrate tunable hardness and modulus (stiffness) from average values of 0.21 GPa (standard deviation similar to 0.12) to 1.2 GPa (standard deviation similar to 0.82) and 0.24 GPa (standard deviation similar to 0.12) to 6.6 GPa (standard deviation similar to 6.3) respectively that are suitable for high-or low-stress environment applications of bone substitutes and tissue regeneration. This presents a promising strategy to design and synthesize advanced engineered biocomposites with exceptional mechanical properties. C1 [Bayer, Ilker S.] Ist Italiano Tecnol, Nanophys Dept, I-16163 Genoa, Italy. [Ghosh, Anindya] Univ Arkansas, Dept Chem, Little Rock, AR 72204 USA. [Labriola, Matthew; Wang, Tao; Biswas, Abhijit] Univ Notre Dame, Dept Elect Engn, Ctr Nano Sci & Technol, Notre Dame, IN 46556 USA. [Biris, Alexandru S.; Watanabe, Fumiya] Univ Arkansas, Ctr Integrat Nanotechnol Sci, Little Rock, AR 72204 USA. [Dervishi, Enkeleda] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87544 USA. [Slaboch, Constance; Ovaert, Timothy C.] Univ Notre Dame, Dept Aerosp & Mech Engn, Notre Dame, IN 46556 USA. RP Bayer, IS (reprint author), Ist Italiano Tecnol, Nanophys Dept, I-16163 Genoa, Italy. EM ilker.bayer@iit.it; abbtf@gmail.com OI Bayer, Ilker S. /0000-0002-7951-8851 FU University of Notre Dame's Center for Nano Science and Technology (NDnano); US Army Telemedicine & Advanced Technology Research Center (TATRC) FX M.L. acknowledges Nanotechnology Undergraduate Research Fellowship (NURF) provided by the University of Notre Dame's Center for Nano Science and Technology (NDnano). A. S. B. appreciates financial support from the US Army Telemedicine & Advanced Technology Research Center (TATRC). NR 60 TC 3 Z9 3 U1 0 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 43 BP 20315 EP 20323 DI 10.1039/c3ra43121e PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 238MK UT WOS:000325950600099 ER PT J AU Kenarsari, SD Yang, DL Jiang, GD Zhang, SJ Wang, JJ Russell, AG Wei, Q Fan, MH AF Kenarsari, Saeed Danaei Yang, Dali Jiang, Guodong Zhang, Suojiang Wang, Jianji Russell, Armistead G. Wei, Qiang Fan, Maohong TI Review of recent advances in carbon dioxide separation and capture SO RSC ADVANCES LA English DT Review ID METAL-ORGANIC FRAMEWORKS; CHEMICAL-LOOPING COMBUSTION; TEMPERATURE IONIC LIQUIDS; MIXED-MATRIX MEMBRANES; HOLLOW-FIBER MEMBRANES; EQUIMOLAR CO2 CAPTURE; FLUIDIZED-BED COMBUSTION; FOSSIL POWER-PLANTS; GEL PORE STRUCTURE; OF-THE-ART AB This review provides a comprehensive assessment of recently improved carbon dioxide (CO2) separation and capture systems, used in power plants and other industrial processes. Different approaches for CO2 capture are pre-combustion, post-combustion capture, and oxy-combustion systems, which are reviewed, along with their advantages and disadvantages. New technologies and prospective "breakthrough technologies", for instance: novel solvents, sorbents, and membranes for gas separation are examined. Other technologies including chemical looping technology (reaction between metal oxides and fuels, creating metal particles, carbon dioxide, and water vapor) and cryogenic separation processes (based on different phase change temperatures for various gases to separate them) are reviewed as well. Furthermore, the major CO2 separation technologies, such as absorption (using a liquid solvent to absorb the CO2), adsorption (using solid materials with surface affinity to CO2 molecules), and membranes (using a thin film to selectively permeate gases) are extensively discussed, though issues and technologies related to CO2 transport and storage are not considered in this paper. C1 [Kenarsari, Saeed Danaei; Jiang, Guodong; Fan, Maohong] Univ Wyoming, Dept Chem & Petr Engn, Laramie, WY 82071 USA. [Yang, Dali] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Zhang, Suojiang] Chinese Acad Sci, Inst Proc Engn, Beijing 100190, Peoples R China. [Wang, Jianji] Henan Normal Univ, Henan Key Lab Environm Pollut Control, Sch Chem & Environm Sci, Xinxiang 453007, Henan, Peoples R China. [Jiang, Guodong; Russell, Armistead G.; Fan, Maohong] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. [Wei, Qiang] Santa Fe Sci & Technol Inc, Santa Fe, NM 87507 USA. RP Fan, MH (reprint author), Univ Wyoming, Dept Chem & Petr Engn, Laramie, WY 82071 USA. EM mfan@uwyo.edu RI zhang, suojiang/D-2053-2015 NR 249 TC 165 Z9 168 U1 51 U2 458 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 45 BP 22739 EP 22773 DI 10.1039/c3ra43965h PG 35 WC Chemistry, Multidisciplinary SC Chemistry GA 244NK UT WOS:000326395800005 ER PT J AU Piephoff, DE Rasmussen, KO Spontak, RJ AF Piephoff, D. Evan Rasmussen, Kim O. Spontak, Richard J. TI Nanoscale distribution and segregation of midblock-selective co-penetrants in ABA triblock copolymer lamellae SO RSC ADVANCES LA English DT Article ID BLOCK-COPOLYMERS; PHASE-BEHAVIOR; SBS MEMBRANES; GAS; MORPHOLOGY; SEPARATION; MELTS; GELS AB In addition to their attractive and tunable macroscopic properties, microphase-ordered block copolymers serve as model systems capable of providing fundamental insight into the thermodynamic factors that govern the arrangement of spatially-confined molecules in soft, nanostructured environments. Of particular interest in this study is the spatial distribution of co-penetrant molecules in the design of dense polymeric materials intended for use as gas-separation membranes or responsive sensors. Here, we employ self-consistent field theory to examine the spatial distributions of two midblock-selective co-penetrants in ordered triblock copolymers exhibiting the lamellar morphology. Our results establish how differences in block copolymer incompatibility and penetrant selectivity, size and concentration affect the spatial distributions of the penetrant species, and reveal the extent to which macroscopically miscible penetrants spatially segregate due to nanoscale confinement. C1 [Piephoff, D. Evan; Spontak, Richard J.] N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA. [Rasmussen, Kim O.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Spontak, Richard J.] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [Spontak, Richard J.] Norwegian Univ Sci & Technol, Dept Chem Engn, N-7491 Trondheim, Norway. RP Spontak, RJ (reprint author), N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA. EM Rich_Spontak@ncsu.edu RI Rasmussen, Kim/B-5464-2009; OI Rasmussen, Kim/0000-0002-4029-4723; Piephoff, Daniel/0000-0002-8556-7414 FU U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; Lars Onsager Professorship at NTNU; Office of Undergraduate Research at North Carolina State University FX Research at LANL is performed under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract no. DE-AC52-06NA25396. R.J.S. is grateful for financial support from the Lars Onsager Professorship at NTNU, and we thank Mr. J.M. Majikes and Mr. S.S. Tallury for technical assistance. This study was funded, in part, by the Office of Undergraduate Research at North Carolina State University. NR 40 TC 0 Z9 0 U1 1 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 45 BP 22863 EP 22867 DI 10.1039/c3ra44253e PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 244NK UT WOS:000326395800017 ER PT J AU Yan, LS Laskar, DD Lee, SJ Yang, B AF Yan, Lishi Laskar, Dhrubojyoti D. Lee, Suh-Jane Yang, Bin TI Aqueous phase catalytic conversion of agarose to 5-hydroxymethylfurfural by metal chlorides SO RSC ADVANCES LA English DT Article ID D-FRUCTOSE; LIGNOCELLULOSIC BIOMASS; SUBCRITICAL WATER; HIGH-TEMPERATURE; INORGANIC SALTS; LACTIC-ACID; D-GLUCOSE; CELLULOSE; CHEMICALS; 5-HYDROXYMETHYL-2-FURALDEHYDE AB The production of 5-hydroxymethylfurfural (5-HMF) from agarose catalyzed by metal chlorides was studied in aqueous phase. A series of metal chlorides, including NaCl, CaCl2, MgCl2, ZnCl2, CrCl3, CuCl2 and FeCl3, were comparatively investigated to catalyze agarose degradation for the production of 5-HMF at temperatures of 180 degrees C, 200 degrees C and 220 degrees C, catalyst concentration of 0.5% (w/w), 1% (w/w) and 5% (w/w), time of 0-50 min, and substrate concentration of 2% (w/w). Results revealed that alkali and alkaline earth metal chlorides, including NaCl, CaCl2 and MgCl2, resulted in higher 5-HMF yields from agarose with negligible amount of byproducts, such as levulinic acid and lactic acid, derived from further degradation reactions. 1% (w/w) MgCl2 was the most efficient catalyst among the tested metal chlorides for 5-HMF production from agarose and resulted in both the highest yield of 40.7% and highest selectivity of 49.1% at 200 degrees C for 35 min. The cleavage of C-O-C bond in agarose with subsequent isomerization of galactose to its ketose was considered as a possible mechanism for formation of 5-HMF under MgCl2 catalyzed conditions. C1 [Yan, Lishi; Laskar, Dhrubojyoti D.; Yang, Bin] Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA. [Lee, Suh-Jane] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Yang, B (reprint author), Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA. EM binyang@tricity.wsu.edu OI Lee, Suh-Jane/0000-0002-3396-5859; yang, bin/0000-0003-1686-8800 FU Department of Biological Systems Engineering; Bioproducts, Sciences and Engineering Laboratory at Washington State University; DARPA YFA [N66001-11-1-4141/P00001] FX We are grateful for the support from the Department of Biological Systems Engineering and the Bioproducts, Sciences and Engineering Laboratory at Washington State University. The material in this work was supported by DARPA YFA Award # N66001-11-1-4141/P00001. The authors also thank Dr. Huamin Wang from PNNL for his internal review of this paper and helpful suggestions. NR 48 TC 14 Z9 14 U1 3 U2 49 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 46 BP 24090 EP 24098 DI 10.1039/c3ra43293a PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 248ZI UT WOS:000326745100035 ER PT J AU Angelini, R Zulian, L Fluerasu, A Madsen, A Ruocco, G Ruzicka, B AF Angelini, Roberta Zulian, Laura Fluerasu, Andrei Madsen, Anders Ruocco, Giancarlo Ruzicka, Barbara TI Dichotomic aging behaviour in a colloidal glass SO SOFT MATTER LA English DT Article ID LIGHT-SCATTERING; GELS; DYNAMICS; TRANSITION; LAPONITE; SYSTEMS; CLAY AB An unexpected dichotomic long time aging behaviour is observed in a glassy colloidal clay suspension investigated by X-ray photon correlation spectroscopy and dynamic light scattering. In the long time aging regime the intensity autocorrelations are non-exponential, following the Kohlrausch-Williams-Watts functional form with an exponent beta(Q). We show that for spontaneously aged samples a stretched behaviour (beta(Q) < 1) is always found. Surprisingly a compressed exponent (beta(Q) > 1) appears only when the system is rejuvenated by application of a shear field. In both cases the relaxation times scale as Q(-1). These observations shed light on the origin of compressed exponential behaviour and help in classifying previous results in the literature on anomalous dynamics. C1 [Angelini, Roberta; Ruzicka, Barbara] CNR, IPCF, I-00185 Rome, Italy. [Angelini, Roberta; Zulian, Laura; Ruocco, Giancarlo; Ruzicka, Barbara] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Fluerasu, Andrei] Brookhaven Natl Lab, NSLS Upton 2, Upton, NY 11973 USA. [Madsen, Anders] European Xray Free Electron Laser, D-22761 Hamburg, Germany. [Ruocco, Giancarlo] Ist Italiano Tecnol, Ctr Life Nano Sci, Rome, Italy. RP Angelini, R (reprint author), CNR, IPCF, I-00185 Rome, Italy. EM roberta.angelini@roma1.infn.it RI Ruocco, Giancarlo/A-6245-2010; Ruzicka, Barbara/P-1702-2014; Angelini, Roberta/P-1706-2014 OI Ruocco, Giancarlo/0000-0002-2762-9533; Ruzicka, Barbara/0000-0003-2019-620X; Angelini, Roberta/0000-0001-7309-9919 FU DOE (NSLS-II project) [EAC02-98CH10886] FX We acknowledge ESRF for beamtime and Abdellatif Moussaid for providing assistance during the measurements. AF acknowledges the support from DOE grant EAC02-98CH10886 (NSLS-II project). NR 27 TC 19 Z9 19 U1 2 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 46 BP 10955 EP 10959 DI 10.1039/c3sm52173g PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 249AF UT WOS:000326747700002 ER PT S AU Schleife, A Varley, JB Janotti, A Van de Walle, CG AF Schleife, Andre Varley, Joel B. Janotti, Anderson Van de Walle, Chris G. BE Kanai, Y Prendergast, D TI Conductivity and transparency of TiO2 from first principles SO SOLAR HYDROGEN AND NANOTECHNOLOGY VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Solar Hydrogen and Nanotechnology VIII CY AUG 28-29, 2013 CL San Diego, CA SP SPIE DE titania; first principles; electron polaron; hole polaron; doping; reflectivity; optical absorption ID VISIBLE-LIGHT PHOTOCATALYSIS; AUGMENTED-WAVE METHOD; DOPED TIO2; TITANIUM-DIOXIDE; RUTILE TIO2; ELECTRONIC-STRUCTURE; OPTICAL-ABSORPTION; SINGLE-CRYSTALS; N INCORPORATION; NITROGEN AB Titanium dioxide is a versatile material with ubiquitous applications, many of which are critically linked to either light absorption or transparency in the visible spectral range in addition to electrical conductivity. Doping is a well-known way to influence those properties in order to bring them into a desired range. Working towards a comprehensive understanding of the electronic and optical properties of TiO2 (as well as of the link between them) we review and summarize electronic-structure results that we obtained using cutting-edge theoretical spectroscopy techniques. We focus on the formation of electron and hole polarons and we elucidate the influence of doping on the optical properties of TiO2. In addition, we present new results for the reflectivity of pure TiO2. C1 [Schleife, Andre; Varley, Joel B.] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. [Janotti, Anderson; Van de Walle, Chris G.] Univ Calif Santa Barbara, Mat Dept, Santa Barbara, CA 93106 USA. RP Schleife, A (reprint author), Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. EM a.schleife@llnl.gov; varley2@llnl.gov; janotti@engineering.ucsb.edu; vandewalle@mrl.ucsb.edu RI Van de Walle, Chris/A-6623-2012; Janotti, Anderson/F-1773-2011 OI Van de Walle, Chris/0000-0002-4212-5990; Janotti, Anderson/0000-0001-5028-8338 FU U.S. Department of Energy, Grant [DEAC36-99-GO10337] FX This work was supported in part by U.S. Department of Energy, Grant DEAC36-99-GO10337. NR 62 TC 0 Z9 0 U1 4 U2 15 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9672-0 J9 PROC SPIE PY 2013 VL 8822 AR 882205 DI 10.1117/12.2024566 PG 9 WC Electrochemistry; Nanoscience & Nanotechnology; Optics SC Electrochemistry; Science & Technology - Other Topics; Optics GA BHT60 UT WOS:000326640100001 ER PT S AU Bethel, EW Prabhat Byna, S Rubel, O Wu, KJ Wehner, M AF Bethel, E. Wes Prabhat Byna, Suren Ruebel, Oliver Wu, K. John Wehner, Michael BE Wong, PC Kao, DL Hao, MC Chen, C TI Why High Performance Visual Data Analytics is both Relevant and Difficult SO VISUALIZATION AND DATA ANALYSIS 2013 SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Conference on Visualization and Data Analysis (VDA) CY FEB 04-06, 2013 CL Burlingame, CA SP Soc Imaging Sci & Technol, SPIE, Kitware Inc, Visual Analyt Community, Hewlett Packard Co DE high performance visualization; scientific computing; large data analysis; climate data analysis; plasma physics data analysis ID ATMOSPHERIC RIVERS; MAGNETIC RECONNECTION AB Data visualization, as well as data analysis and data analytics, are all an integral part of the scientific process. Collectively, these technologies provide the means to gain insight into data of ever-increasing size and complexity. Over the past two decades, a substantial amount of visualization, analysis, and analytics R&D has focused on the challenges posed by increasing data size and complexity, as well as on the increasing complexity of a rapidly changing computational platform landscape. While some of this research focuses on solely on technologies, such as indexing and searching or novel analysis or visualization algorithms, other R&D projects focus on applying technological advances to specific application problems. Some of the most interesting and productive results occur when these two activities-R&D and application-are conducted in a collaborative fashion, where application needs drive R&D, and R&D results are immediately applicable to real-world problems. C1 [Bethel, E. Wes; Prabhat; Byna, Suren; Ruebel, Oliver; Wu, K. John; Wehner, Michael] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Bethel, EW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM ewbethel@lbl.gov OI Byna, Surendra/0000-0003-3048-3448 NR 33 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9427-6 J9 PROC SPIE PY 2013 VL 8654 AR 86540B DI 10.1117/12.2010980 PG 10 WC Computer Science, Artificial Intelligence; Optics; Imaging Science & Photographic Technology SC Computer Science; Optics; Imaging Science & Photographic Technology GA BHH41 UT WOS:000325425900011 ER PT S AU Burtner, R Bohn, S Payne, D AF Burtner, Russ Bohn, Shawn Payne, Debbie BE Wong, PC Kao, DL Hao, MC Chen, C TI Interactive visual comparison of multimedia data through type-specific views SO VISUALIZATION AND DATA ANALYSIS 2013 SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Conference on Visualization and Data Analysis (VDA) CY FEB 04-06, 2013 CL Burlingame, CA SP Soc Imaging Sci & Technol, SPIE, Kitware Inc, Visual Analyt Community, Hewlett Packard Co DE Multimedia (Image/Video/Music) Visualization ID IMAGE BROWSER; INFORMATION VISUALIZATION; RETRIEVAL AB Analysts who work with collections of multimedia to perform information foraging understand how difficult it is to connect information across diverse sets of mixed media. The wealth of information from blogs, social media, and news sites often can provide actionable intelligence; however, many of the tools used on these sources of content are not capable of multimedia analysis because they only analyze a single media type. As such, analysts are taxed to keep a mental model of the relationships among each of the media types when generating the broader content picture. To address this need, we have developed Canopy, a novel visual analytic tool for analyzing multimedia. Canopy provides insight into the multimedia data relationships by exploiting the linkages found in text, images, and video co-occurring in the same document and across the collection. Canopy connects derived and explicit linkages and relationships through multiple connected visualizations to aid analysts in quickly summarizing, searching, and browsing collected information to explore relationships and align content. In this paper, we will discuss the features and capabilities of the Canopy system and walk through a scenario illustrating how this system might be used in an operational environment. C1 [Burtner, Russ; Bohn, Shawn; Payne, Debbie] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Burtner, R (reprint author), Pacific NW Natl Lab, POB 999,MS J4-32, Richland, WA 99352 USA. NR 55 TC 0 Z9 0 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9427-6 J9 PROC SPIE PY 2013 VL 8654 AR 86540M DI 10.1117/12.2004735 PG 15 WC Computer Science, Artificial Intelligence; Optics; Imaging Science & Photographic Technology SC Computer Science; Optics; Imaging Science & Photographic Technology GA BHH41 UT WOS:000325425900021 ER PT S AU Bailey, DH AF Bailey, David H. BE Nannarelli, A Seidel, PM Tang, PTP TI High-Precision Computation: Applications and Challenges SO 2013 21ST IEEE SYMPOSIUM ON COMPUTER ARITHMETIC (ARITH) SE Proceedings Symposium on Computer Arithmetic LA English DT Proceedings Paper CT 21st IEEE Symposium on Computer Arithmetic (ARITH) CY APR 07-10, 2013 CL Austin, TX SP IEEE, IEEE Comp Soc, ARM Corp, Intel Corp C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Dept, Berkeley, CA 94720 USA. RP Bailey, DH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Dept, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1063-6889 BN 978-0-7695-4957-6; 978-1-4673-5644-2 J9 P S COMP ARITHM PY 2013 BP 3 EP 3 PG 1 WC Computer Science, Interdisciplinary Applications SC Computer Science GA BHQ36 UT WOS:000326337100001 ER PT S AU Ionkov, L Lang, M Maltzahn, C AF Ionkov, Latchesar Lang, Michael Maltzahn, Carlos GP IEEE TI DRepl: Optimizing Access to Application Data for Analysis and Visualization SO 2013 IEEE 29TH SYMPOSIUM ON MASS STORAGE SYSTEMS AND TECHNOLOGIES (MSST) SE IEEE Symposium on Mass Storage Systems and Technologies Proceedings-MSST LA English DT Proceedings Paper CT 29th IEEE Symposium on Massive Storage Systems and Technologies (MSST) - Research Track CY MAY 06-10, 2013 CL Long Beach, CA SP IEEE DE data storage; data replication; fault tolerance; exascale; DISC AB Until recently most scientific applications produced data that is saved, analyzed and visualized at later time. In recent years, with the large increase in the amount of data and computational power available there is demand for applications to support data access in-situ, or close-to simulation to provide application steering, analytics and visualization. Data access patterns required for these activities are usually different than the data layout produced by the application. In most of the large HPC clusters scientific data is stored in parallel file systems instead of locally on the cluster nodes. To increase reliability, the data is replicated, using standard RAID schemes. Parallel file server nodes usually have more processing power than they need, so it is feasible to offload some of the data intensive processing to them. DRepl replaces the standard methods of data replication with replicas having different layouts, optimized for the most commonly used access patterns. Replicas can be complete (i.e. any other replica can be reconstructed from it), or incomplete. DRepl consists of a language to describe the dataset and the necessary data layouts and tools to create a user-space file server that provides and keeps the data consistent and up to date in all optimized layouts. DRepl decouples the data producers and consumers and the data layouts they use from the way the data is stored on the storage system. DRepl has shown up to 2x for cumulative performance when data is accessed using optimized replicas. C1 [Ionkov, Latchesar; Lang, Michael] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Maltzahn, Carlos] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. RP Ionkov, L (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM lionkov@lanl.gov; mlang@lanl.gov; carlosm@cs.ucsc.edu FU U.S. Department of Energy's National Nuclear Security Administration with Los Alamos National Security, LLC [DE-AC52-06NA25396]; LANL [LAUR-11-11589] FX We would like to thank Jim Ahrens, and Scott Brandt for there helpful insights for this paper. This work was performed at the Ultrascale Systems Research Center (USRC) which is a collaboration between Los Alamos National Laboratory and the New Mexico Consortium (NMC).; This work was supported in part by the U.S. Department of Energys National Nuclear Security Administration under contract DE-AC52-06NA25396 with Los Alamos National Security, LLC.; This paper has assigned LANL publication number: LAUR-11-11589 NR 17 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2160-195X BN 978-1-4799-0217-0; 978-1-4799-0218-7 J9 IEEE S MASS STOR SYS PY 2013 PG 11 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHQ48 UT WOS:000326373700019 ER PT S AU Tian, Y Liu, Z Klasky, S Wang, B Abbasi, H Zhou, SJ Podhorszki, N Clune, T Logan, J Yu, WK AF Tian, Yuan Liu, Zhuo Klasky, Scott Wang, Bin Abbasi, Hasan Zhou, Shujia Podhorszki, Norbert Clune, Tom Logan, Jeremy Yu, Weikuan GP IEEE TI A Lightweight I/O Scheme to Facilitate Spatial and Temporal Queries of Scientific Data Analytics SO 2013 IEEE 29TH SYMPOSIUM ON MASS STORAGE SYSTEMS AND TECHNOLOGIES (MSST) SE IEEE Symposium on Mass Storage Systems and Technologies Proceedings-MSST LA English DT Proceedings Paper CT 29th IEEE Symposium on Massive Storage Systems and Technologies (MSST) - Research Track CY MAY 06-10, 2013 CL Long Beach, CA SP IEEE AB In the era of petascale computing, more scientific applications are being deployed on leadership scale computing platforms to enhance the scientific productivity. Many I/O techniques have been designed to address the growing I/O bottleneck on large-scale systems by handling massive scientific data in a holistic manner. While such techniques have been leveraged in a wide range of applications, they have not been shown as adequate for many mission critical applications, particularly in data post-processing stage. One of the examples is that some scientific applications generate datasets composed of a vast amount of small data elements that are organized along many spatial and temporal dimensions but require sophisticated data analytics on one or more dimensions. Including such dimensional knowledge into data organization can be beneficial to the efficiency of data post-processing, which is often missing from exiting I/O techniques. In this study, we propose a novel I/O scheme named STAR ( Spatial and Temporal AggRegation) to enable high performance data queries for scientific analytics. STAR is able to dive into the massive data, identify the spatial and temporal relationships among data variables, and accordingly organize them into an optimized multi-dimensional data structure before storing to the storage. This technique not only facilitates the common access patterns of data analytics, but also further reduces the application turnaround time. In particular, STAR is able to enable efficient data queries along the time dimension, a practice common in scientific analytics but not yet supported by existing I/O techniques. In our case study with a critical climate modeling application GEOS-5, the experimental results on Jaguar supercomputer demonstrate an improvement up to 73 times for the read performance compared to the original I/O method. C1 [Tian, Yuan; Liu, Zhuo; Wang, Bin; Yu, Weikuan] Auburn Univ, Auburn, AL 36849 USA. [Klasky, Scott; Abbasi, Hasan; Podhorszki, Norbert] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Zhou, Shujia; Clune, Tom] Goddard Space Flight Ctr, Greenbelt, MD USA. [Zhou, Shujia] Northrop Grumman Corp, Falls Church, VA USA. [Tian, Yuan; Logan, Jeremy] Univ Tennessee Knoxville, Knoxville, TN USA. RP Tian, Y (reprint author), Auburn Univ, Auburn, AL 36849 USA. EM tianyua@auburn.edu; zhuoliu@auburn.edu; klasky@ornl.gov; bwang@auburn.edu; habbasi@ornl.gov; shujia.zhou-1@nasa.gov; pnorbert@ornl.gov; thomas.l.clune@nasa.gov; loganjs@ornl.gov; wkyu@auburn.edu FU NASA [NNX11AR20]; UT-Battelle [UT-B-4000103043]; Office of Science of the Department of Energy [DE-AC05-00OR22725] FX This work is funded in part by a NASA award NNX11AR20 and by an UT-Battelle grant (UT-B-4000103043) to Auburn University. This research 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 NR 31 TC 0 Z9 0 U1 0 U2 6 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2160-195X BN 978-1-4799-0217-0; 978-1-4799-0218-7 J9 IEEE S MASS STOR SYS PY 2013 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHQ48 UT WOS:000326373700021 ER PT S AU McNew, JA Sondermann, H Lee, T Stern, M Brandizzi, F AF McNew, James A. Sondermann, Holger Lee, Tina Stern, Mike Brandizzi, Federica BE Schekman, R TI GTP-Dependent Membrane Fusion SO ANNUAL REVIEW OF CELL AND DEVELOPMENTAL BIOLOGY, VOL 29 SE Annual Review of Cell and Developmental Biology LA English DT Review; Book Chapter DE atlastin; mitofusin; dynamin-related proteins; endomembrane ID HEREDITARY SPASTIC PARAPLEGIA; DYNAMIN-RELATED GTPASE; DOMINANT OPTIC ATROPHY; TUBULAR ER NETWORK; ENDOPLASMIC-RETICULUM; MITOCHONDRIAL FUSION; GOLGI-APPARATUS; CRYSTAL-STRUCTURE; PLANT-CELLS; ENVELOPED VIRUSES AB Shape changes and topological remodeling of membranes are essential for the identity of organelles and membrane trafficking. Although all cellular membranes have common features, membranes of different organelles create unique environments that support specialized biological functions. The endoplasmic reticulum (ER) is a prime example of this specialization, as its lipid bilayer forms an interconnected system of cisternae, vesicles, and tubules, providing a highly compartmentalized structure for a multitude of biochemical processes. A variety of peripheral and integral membrane proteins that facilitate membrane curvature generation, fission, and/or fusion have been identified over the past two decades. Among these, the dynamin-related proteins (DRPs) have emerged as key players. Here, we review recent advances in our functional and molecular understanding of fusion DRPs, exemplified by atlastin, an ER-resident DRP that controls ER structure, function, and signaling. C1 [McNew, James A.; Stern, Mike] Rice Univ, Dept Biochem & Cell Biol, Houston, TX 77005 USA. [Sondermann, Holger] Cornell Univ, Dept Mol Med, Ithaca, NY 14853 USA. [Lee, Tina] Carnegie Mellon Univ, Dept Biol Sci, Pittsburgh, PA 15213 USA. [Brandizzi, Federica] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. [Brandizzi, Federica] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. RP McNew, JA (reprint author), Rice Univ, Dept Biochem & Cell Biol, Houston, TX 77005 USA. EM mcnew@rice.edu OI McNew, James/0000-0001-8459-3664 FU NIGMS NIH HHS [R01 GM101377] NR 160 TC 18 Z9 18 U1 2 U2 19 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1081-0706 BN 978-0-8243-3129-0 J9 ANNU REV CELL DEV BI JI Annu. Rev. Cell Dev.Biol. PY 2013 VL 29 BP 529 EP 550 DI 10.1146/annurev-cellbio-101512-122328 PG 22 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA BHU57 UT WOS:000326689300020 PM 23875647 ER PT S AU Conrad, JM Louis, WC Shaevitz, MH AF Conrad, Janet M. Louis, William C. Shaevitz, Michael H. BE Holstein, BR TI The LSND and MiniBooNE Oscillation Searches at lHigh Delta m2 SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 63 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE neutrinos; sterile; mass ID NEUTRINO OSCILLATIONS; NOMAD EXPERIMENT; MUON-NEUTRINO; DETECTOR; FACILITY; EV2/C4; LIMITS; FLUX AB This article reviews the experimental design, analysis, and results of the LSND and MiniBooNE experiments. Their primary goal was to effect sensitive searches for neutrino oscillations in the mass region with Delta m2 approximate to 1 eV(2). The two experiments are complementary, so comparing their results can yield additional information with respect to models with sterile neutrinos. Both experiments obtained evidence for (v) over bar (u) -> (v) over bar (e) oscillations, and MiniBooNE also observed a (v) over bar (u) -> (v) over bar (e) excess. We also consider the results within the global context of sterile neutrino oscillation models. The final data sets require a more extendedmodel than the simple single-sterile neutrino model imagined at the time that LSND drew to a close and MiniBooNE began. There are apparent incompatibilities between data sets in models with two sterile neutrinos that may be explained with variations within the systematic error. Overall, models with two (or three) sterile neutrinos seem to succeed in fitting the global data, and they make interesting predictions for future experiments. C1 [Conrad, Janet M.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Louis, William C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Shaevitz, Michael H.] Columbia Univ, Dept Phys, New York, NY 10027 USA. RP Conrad, JM (reprint author), MIT, Dept Phys, Cambridge, MA 02139 USA. NR 64 TC 21 Z9 21 U1 0 U2 3 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1563-4 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2013 VL 63 BP 45 EP 67 DI 10.1146/annurev-nucl-102711-094957 PG 23 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHU65 UT WOS:000326692800003 ER PT S AU Kasen, D Nugent, PE AF Kasen, Daniel Nugent, Peter E. BE Holstein, BR TI The Supernova in the Pinwheel Galaxy SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 63 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE supernovae; nucleosynthesis; cosmology ID MASS WHITE-DWARFS; NEAR-INFRARED OBSERVATIONS; HUBBLE-SPACE-TELESCOPE; IA SUPERNOVAE; LIGHT CURVES; SN 2011FE; BINARY COMPANIONS; SHOCK BREAKOUT; LEGACY SURVEY; BLACK-HOLES AB Type Ia supernovae are valuable distance indicators for cosmology and an important component in our understanding of binary stellar evolution; the elements they synthesize and eject contribute significantly to the origin of the elements. During the past year, the discovery and intensive worldwide observational follow-up of the brightest Type Ia supernova in a generation, SN 2011fe, have greatly improved our understanding of these cataclysmic stellar deaths. The supernova was discovered when it had only one one-thousandth of the brightness it would achieve at maximum light when it was observed by thousands around the world through binoculars and small telescopes. Although several long-held assumptions have been confirmed by this discovery, this supernova has forced us to question the origin of these events and to rethink and improve the way we model them through detailed simulations. We review our current understanding of Type Ia supernovae and discuss how SN2011fe has both improved and challenged our understanding of these most spectacular explosions. C1 [Kasen, Daniel; Nugent, Peter E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kasen, Daniel] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Kasen, Daniel; Nugent, Peter E.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. RP Kasen, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM kasen@berkeley.edu; penugent@LBL.gov NR 136 TC 3 Z9 3 U1 1 U2 2 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1563-4 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2013 VL 63 BP 153 EP 174 DI 10.1146/annurev-nucl-102212-170624 PG 22 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHU65 UT WOS:000326692800007 ER PT S AU Kumar, KS Mantry, S Marciano, WJ Souder, PA AF Kumar, K. S. Mantry, Sonny Marciano, W. J. Souder, P. A. BE Holstein, BR TI Low-Energy Measurements of theWeak Mixing Angle SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 63 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE weak neutral currents; weak mixing angle; precision tests of the Standard Model; electroweak radiative corrections ID PARITY NON-CONSERVATION; ELECTROWEAK RADIATIVE-CORRECTIONS; POLARIZED MOLLER SCATTERING; NONCONSERVING OPTICAL-ROTATION; UNIFIED GAUGE-THEORIES; WEAK NEUTRAL-CURRENT; STANDARD MODEL; VIOLATING ASYMMETRIES; CONTACT INTERACTIONS; MASSLESS PARTICLES AB We review the status of precision measurements of weak neutral-current interactions, mediated by the Z(0) boson, at Q(2) << M-Z(2). They can be used to extract values for the weak mixing angle sin(2) theta(W), a fundamental parameter of the SU(2)(L) x U(1)(Y) electroweak sector of the Standard Model. Apart from providing a comprehensive test of the electroweak theory at the quantum-loop level, such measurements allow indirect access to New Physics effects at and beyond the TeV scale. After providing a theoretical introduction and a brief overview of the three most precise low-Q(2) weak mixing angle determinations, we describe the ongoing experimental program and prospects for future, more sensitive studies. We also compare the sensitivities of planned and proposed measurements with physics beyond the Standard Model. C1 [Kumar, K. S.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. [Mantry, Sonny] Northwestern Univ, Argonne Natl Lab, Evanston, IL 60208 USA. [Mantry, Sonny] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. [Marciano, W. J.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Souder, P. A.] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. RP Kumar, KS (reprint author), Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. EM kkumar@physics.umass.edu OI Kumar, Krishna/0000-0001-5318-4622 NR 144 TC 28 Z9 28 U1 0 U2 11 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1563-4 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2013 VL 63 BP 237 EP 267 DI 10.1146/annurev-nucl-102212-170556 PG 31 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHU65 UT WOS:000326692800010 ER PT S AU Marchionni, A AF Marchionni, Alberto BE Holstein, BR TI Status and New Ideas Regarding Liquid Argon Detectors SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 63 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE time-projection chamber; detectors; neutrino oscillations; proton decay; astrophysical neutrinos ID TIME PROJECTION CHAMBER; DRIFTING LARGE DISTANCES; IONIZATION ELECTRONS; SCINTILLATION LIGHT; PHOTOMULTIPLIER TUBES; VACUUM-ULTRAVIOLET; SOLAR-NEUTRINO; PROTON-DECAY; XENON; RECOMBINATION AB Large (up to similar to 100 kt) liquid argon (LAr) time-projection chamber detectors are presently being considered for proton decay searches and neutrino astrophysics, as well as for far detectors for the next generation of long-baseline neutrino oscillation experiments that aim to determine neutrino mass hierarchy and search for CP violation in the leptonic sector. These detectors rely on the capabilities to assemble large volumes of LAr in ultrahigh-purity conditions, possibly in an underground environment, and to achieve relatively long drifts for the ionization charge. Several proposals have been developed, each of which takes a different approach to the design of the cryogenic vessels and has different scales of modularity to reach the final mass dictated by physics. New detector concepts, with innovative designs of readout electronics and novel methods for the readout of the ionization charge and scintillation light, have been proposed. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Marchionni, A (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM alberto@fnal.gov OI Marchionni, Alberto/0000-0003-3039-9537 NR 146 TC 4 Z9 4 U1 0 U2 6 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1563-4 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2013 VL 63 BP 269 EP 290 DI 10.1146/annurev.nucl.012809.104445 PG 22 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHU65 UT WOS:000326692800011 ER PT S AU Holmes, SD Shiltsev, VD AF Holmes, Stephen D. Shiltsev, Vladimir D. BE Holstein, BR TI The Legacy of the Tevatron in the Area of Accelerator Science SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 63 SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE particle accelerators; colliders; antiprotons ID ENERGY PARTICLE COLLIDERS; PERFORMANCE; DESIGN AB For more than 25 years, the Tevatron was the highest-energy accelerator in the world. It provided the first access to particle collisions beyond 1 TeV and achieved an ultimate performance that was a factor of 400 beyond the original design goals. This article reviews the many formidable challenges that were overcome, and the knowledge gained, in building, operating, and improving the Tevatron during its lifetime. These challenges included the first operation of an accelerator based on superconducting magnets; production of antiprotons in sufficient numbers to support a usable luminosity; management of beam-beam, intrabeam, and other collective effects; novel manipulations of the beam longitudinal phase space; and development and application of a wide variety of innovative technologies. These achievements established the legacy of the Tevatron as the progenitor of all subsequently constructed high-energy hadron colliders. C1 [Holmes, Stephen D.; Shiltsev, Vladimir D.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Holmes, SD (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM holmes@fnal.gov; shiltsev@fnal.gov NR 102 TC 9 Z9 9 U1 1 U2 7 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-8998 BN 978-0-8243-1563-4 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2013 VL 63 BP 435 EP 465 DI 10.1146/annurev-nucl-102212-170615 PG 31 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHU65 UT WOS:000326692800017 ER PT J AU Moffet, RC Rodel, TC Kelly, ST Yu, XY Carroll, GT Fast, J Zaveri, RA Laskin, A Gilles, MK AF Moffet, R. C. Roedel, T. C. Kelly, S. T. Yu, X. Y. Carroll, G. T. Fast, J. Zaveri, R. A. Laskin, A. Gilles, M. K. TI Spectro-microscopic measurements of carbonaceous aerosol aging in Central California SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID PHOTOCHEMICAL AIR-POLLUTION; MEXICO-CITY; BLACK CARBON; MIXING STATE; ATMOSPHERIC AEROSOLS; HYGROSCOPIC GROWTH; MASS-SPECTROMETRY; SIERRA-NEVADA; PARTICLES; EMISSIONS AB Carbonaceous aerosols are responsible for large uncertainties in climate models, degraded visibility, and adverse health effects. The Carbonaceous Aerosols and Radiative Effects Study (CARES) was designed to study carbonaceous aerosols in the natural environment of the Central Valley, California, and learn more about their atmospheric formation and aging. This paper presents results from spectro-microscopic measurements of carbonaceous particles collected during CARES at the time of a pollution accumulation event (27-29 June 2010), when in situ measurements indicated an increase in the organic carbon content of aerosols as the Sacramento urban plume aged. Computer-controlled scanning electron microscopy coupled with an energy dispersive X-ray detector (CCSEM/EDX) and scanning transmission X-ray microscopy coupled with near-edge X-ray absorption spectroscopy (STXM/NEXAFS) were used to probe the chemical composition and morphology of individual particles. It was found that the mass of organic carbon on individual particles increased through condensation of secondary organic aerosol. STXM/NEXAFS indicated that the number fraction of homogenous organic particles lacking inorganic inclusions (greater than similar to 50 nm equivalent circular diameter) increased with plume age, as did the organic mass per particle. Comparison of the CARES spectro-microscopic dataset with a similar dataset obtained in Mexico City during the MILAGRO campaign showed that fresh particles in Mexico City contained three times as much carbon as those sampled during CARES. The number fraction of soot particles at the Mexico City urban site (ranging from 16.6 to 47.3 %) was larger than at the CARES urban site (13.4-15.7%), and the most aged samples from CARES contained fewer carbon-carbon double bonds. Differences between carbonaceous particles in Mexico City and California result from different sources, photochemical conditions, gas phase reactants, and secondary organic aerosol precursors. The detailed results provided by these spectro-microscopic measurements will allow for a comprehensive evaluation of aerosol process models used in climate research. C1 [Moffet, R. C.; Roedel, T. C.; Kelly, S. T.; Carroll, G. T.; Gilles, M. K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Moffet, R. C.] Univ Pacific, Dept Chem, Stockton, CA 95211 USA. [Roedel, T. C.] Univ Wurzburg, Dept Phys, D-97074 Wurzburg, Germany. [Fast, J.; Zaveri, R. A.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Laskin, A.] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Moffet, RC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rmoffet@pacific.edu RI Rodel, Tobias /L-9609-2013; Yu, Xiao-Ying/L-9385-2013; Laskin, Alexander/I-2574-2012; OI Rodel, Tobias /0000-0002-4032-0741; Yu, Xiao-Ying/0000-0002-9861-3109; Laskin, Alexander/0000-0002-7836-8417; Zaveri, Rahul/0000-0001-9874-8807 FU Office of Science (BER), US Department of Energy; Department of Energy's Atmospheric Systems Research (ASR) program; OBER at Pacific Northwest National Laboratory; U.S. Department of Energy by Battelle Memorial Institute [DE-AC06-76RL0]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]; [DE-SC0008643] FX This research was supported by the Office of Science (BER), US Department of Energy. Part of this work was supported by award number DE-SC0008643. The authors gratefully acknowledge the support of the Department of Energy's Atmospheric Systems Research (ASR) program. The CCSEM/EDX particle analysis was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by OBER at Pacific Northwest National Laboratory. PNNL is operated by the U.S. Department of Energy by Battelle Memorial Institute under contract DE-AC06-76RL0. The STXM/NEXAFS particle analysis was performed at beamlines 11.0.2 and 5.3.2 at the Advanced Light Source at Lawrence Berkeley National Laboratory. The work at 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. We thank D. Kilcoyne and T. Tyliszczak for their tireless efforts in keeping the ALS STXM beamlines operational. R. C. Moffet thanks the QGIS community for making their mapping software freely available. QGIS and the USDA's national atlas were used in the production of Fig. 1. NR 56 TC 18 Z9 18 U1 3 U2 61 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2013 VL 13 IS 20 BP 10445 EP 10459 DI 10.5194/acp-13-10445-2013 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 246NK UT WOS:000326545100019 ER PT J AU Smith, SJ Rothwell, A AF Smith, S. J. Rothwell, A. TI Carbon density and anthropogenic land-use influences on net land-use change emissions SO BIOGEOSCIENCES LA English DT Article ID COVER CHANGE; CLIMATE-CHANGE; TROPICAL DEFORESTATION; HISTORICAL CHANGES; WOOD HARVEST; CO2; ATMOSPHERE; MODEL; FLUX; FEEDBACKS AB We examine historical and future land-use emissions using a simple mechanistic carbon-cycle model with regional and ecosystem specific parameterizations. We use the latest gridded data for historical and future land-use changes, which includes estimates for the impact of forest harvesting and secondary forest regrowth. Our central estimate of net terrestrial land-use change emissions, exclusive of climate-carbon feedbacks, is 250 GtC over the last 300 yr. This estimate is most sensitive to assumptions for preindustrial forest and soil carbon densities. We also find that land-use change emissions estimates are sensitive to the treatment of crop and pasture lands. These sensitivities also translate into differences in future terrestrial uptake in the RCP (representative concentration pathway) 4.5 land-use scenario. The estimate of future uptake obtained here is smaller than the native values from the GCAM (Global Change Assessment Model) integrated assessment model result due to lower net reforestation in the RCP4.5 gridded land-use data product. C1 [Smith, S. J.; Rothwell, A.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. RP Smith, SJ (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. EM ssmith@pnnl.gov FU National Aeronautics and Space Administration; US Department of Energy [DE-AC05-76RL01830]; Global Technology Strategy Project FX This research was supported by a grant from the National Aeronautics and Space Administration. We thank Ben Bond-Lamberty, the referees, and journal editors for helpful comments. Additional support provided by the Global Technology Strategy Project. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy under contract DE-AC05-76RL01830. The complete central case data set has been deposited at the CDIAC data repository. NR 41 TC 3 Z9 3 U1 1 U2 19 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 EI 1726-4189 J9 BIOGEOSCIENCES JI Biogeosciences PY 2013 VL 10 IS 10 BP 6323 EP 6337 DI 10.5194/bg-10-6323-2013 PG 15 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 245NN UT WOS:000326470500011 ER PT J AU Lieten, RR Tseng, WJ Yu, KM van de Graaf, W Locquet, JP Dekoster, J Borghs, G AF Lieten, R. R. Tseng, W. -J. Yu, K. M. van de Graaf, W. Locquet, J. -P. Dekoster, J. Borghs, G. TI Single crystalline InxGa1-xN layers on germanium by molecular beam epitaxy SO CRYSTENGCOMM LA English DT Article ID INGAN FILMS; INN; PHOTOLUMINESCENCE; GROWTH AB InxGa1-xN (InGaN) alloys are predominantly grown by heteroepitaxy on foreign substrates. Most often Al2O3, SiC and Si are used as substrates, however this complicates vertical conduction from the InGaN surface to the substrate backside. Therefore we investigate the heteroepitaxial growth of InGaN layers on Ge substrates. Single crystalline InGaN was obtained and domain formation was suppressed by using a thin GaN buffer layer. The InGaN shows compressive strain, which follows from the lattice mismatch with the GaN buffer layer. The In distribution is uniform throughout the InGaN layer, with no significant In segregation within the layer. Only at the surface, in a very thin layer of 20 nm, strong In segregation is observed with about 50% In. InGaN/GaN/Ge diodes show vertical current conduction of 1 A cm(-2) at -2 V. InGaN grown on Ge is therefore promising for device applications with preferred vertical conduction. C1 [Lieten, R. R.; Tseng, W. -J.; van de Graaf, W.; Dekoster, J.; Borghs, G.] IMEC, B-3001 Louvain, Belgium. [Lieten, R. R.; Tseng, W. -J.; Locquet, J. -P.; Borghs, G.] Katholieke Univ Leuven, Dept Phys & Astron, B-3001 Louvain, Belgium. [Yu, K. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Lieten, RR (reprint author), IMEC, B-3001 Louvain, Belgium. EM Ruben.Lieten@gmail.com RI Tsneg, Wei-Jhih/E-8048-2015; OI Yu, Kin Man/0000-0003-1350-9642 FU Research Foundation - Flanders (FWO); Interreg; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231] FX R. R. L. acknowledges support as Research Fellow of the Research Foundation - Flanders (FWO). Interreg is acknowledged for project funding. K. M. Y. acknowledges the support of 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 26 TC 3 Z9 3 U1 2 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1466-8033 J9 CRYSTENGCOMM JI Crystengcomm PY 2013 VL 15 IS 44 BP 9121 EP 9127 DI 10.1039/c3ce41483c PG 7 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 245WL UT WOS:000326494500040 ER PT J AU Ferrier, M Kerlin, WM Poineau, F Sattelberger, AP Czerwinski, KR AF Ferrier, Maryline Kerlin, William M. Poineau, Frederic Sattelberger, Alfred P. Czerwinski, Kenneth R. TI Recent developments in the synthetic chemistry of technetium disulfide SO DALTON TRANSACTIONS LA English DT Article ID TRANSITION-METAL SULFIDES; HYDROGEN-SULFIDE; RHENIUM; RES2 AB Technetium disulfide was prepared by reaction between the elements in a sealed tube at 450 degrees C, by reaction between Tc-2(O2CCH3)(5) and H2S gas in a flowing system at 450 degrees C and by reaction between K2TcCl6 and H2S gas in sulfuric acid. The samples were analysed by X-ray absorption fine structure (XAFS) spectroscopy. C1 [Ferrier, Maryline; Kerlin, William M.; Poineau, Frederic; Sattelberger, Alfred P.; Czerwinski, Kenneth R.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Sattelberger, Alfred P.] Argonne Natl Lab, Energy Engn & Syst Anal Directorate, Argonne, IL 60439 USA. RP Ferrier, M (reprint author), Univ Nevada, Dept Chem, 4505 S Maryland Pkwy Box 454009, Las Vegas, NV 89154 USA. EM maryline.ferrier@gmail.com FU NEUP grant from the United States Department of Energy (DOE), Office of Nuclear Energy, through INL/BEA, LLC [00129169, DE-AC07-05ID14517]; U.S. DOE [DE-AC02-06CH11357] FX Funding for this research was provided by a NEUP grant from the United States Department of Energy (DOE), Office of Nuclear Energy, through INL/BEA, LLC, 00129169, agreement no. DE-AC07-05ID14517.; Use of the Advanced Photon Source, an Office of Science Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under contract no. DE-AC02-06CH11357. NR 28 TC 3 Z9 3 U1 3 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 EI 1477-9234 J9 DALTON T JI Dalton Trans. PY 2013 VL 42 IS 44 BP 15540 EP 15543 DI 10.1039/c3dt52079j PG 4 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 240TL UT WOS:000326119800002 PM 24056388 ER PT J AU Pratt, HD Anderson, TM AF Pratt, Harry D., III Anderson, Travis M. TI Mixed addenda polyoxometalate "solutions" for stationary energy storage SO DALTON TRANSACTIONS LA English DT Article ID REDOX-FLOW BATTERY; MOLECULAR CLUSTER BATTERIES; RESEARCH-AND-DEVELOPMENT; W-183 NMR; PROGRESS; HETEROPOLYTUNGSTATES; TRANSPORTATION; V-51 AB A series of redox flow batteries utilizing mixed addenda (vanadium and tungsten), phosphorus-based polyoxometalates (A-alpha-PV3W9O406-, B-alpha-PV3W9O406-, and P2V3W15O629-) were prepared and tested. Cyclic voltammetry and bulk electrolysis experiments on the Keggin compounds (A-alpha-PV3W9O406- and B-alpha-PV3W9O406-) established that the vanadium centers of these compounds could be used as the positive electrode ((PV3W9O409-)-W-IV-O-VI/(PV3W9O406-)-W-V-O-VI), and the tungsten centers could be used as the negative electrode ((PV3W9O409-)-W-IV-O-VI/(PV3W3W6O4012-)-W-IV-W-V-O-VI) since these electrochemical processes are separated by about 1 V. The results showed that A-alpha-PV3W9O406- (where A indicates adjacent, corner-sharing vanadium atoms) had coulombic efficiencies (charge in divided by charge out) above 80%, while the coulombic efficiency of B-alpha-PV3W9O406- (where B indicates adjacent edge-sharing vanadium atoms) fluctuated between 50% and 70% during cycling. The electrochemical yield, a measurement of the actual charge or discharge observed in comparison with the theoretical charge, was between 40% and 50% for A-alpha-PV3W9O406-, and P-31 NMR showed small amounts of PV2W10O405- and PVW11O404- formed with cycling. The electrochemical yield for B-alpha-PV3W9O406- decreased from 90% to around 60% due to precipitation of the compound on the electrode, but there were no decomposition products detected in the solution by P-31 NMR, and infrared data on the electrode suggested that the cluster remained intact. Testing of P2V3W15O629- (Wells-Dawson structure) suggested higher charge density clusters were not as suitable as the Keggin structures for a redox flow battery due to the poor stability and inaccessibility of the highly reduced materials. C1 [Pratt, Harry D., III; Anderson, Travis M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Anderson, TM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU Sandia National Laboratories' LDRD program; U. S. Department of Energy, Office of Electricity Delivery and Energy Reliability; U. S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank the Sandia National Laboratories' LDRD program and the U. S. Department of Energy, Office of Electricity Delivery and Energy Reliability (Dr Imre Gyuk, Energy Storage Program) for funding. Sandia National Laboratories is a multiprogram laboratory 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. NR 26 TC 8 Z9 8 U1 10 U2 50 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 EI 1477-9234 J9 DALTON T JI Dalton Trans. PY 2013 VL 42 IS 44 BP 15650 EP 15655 DI 10.1039/c3dt51653a PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 240TL UT WOS:000326119800017 PM 24042471 ER PT B AU Leishear, RA AF Leishear, Robert A. TI Fluid Mechanics, Water Hammer, Dynamic Stresses, and Piping Design SO FLUID MECHANICS, WATER HAMMER, DYNAMIC STRESSES, AND PIPING DESIGN LA English DT Article; Book C1 Savannah River Natl Lab, Engn Dev Lab, Thelinal & Fluids Lab, Savannah, GA USA. RP Leishear, RA (reprint author), Savannah River Natl Lab, Engn Dev Lab, Thelinal & Fluids Lab, Savannah, GA USA. NR 234 TC 4 Z9 4 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-5996-4 PY 2013 BP 1 EP 417 DI 10.1115/1.859964 PG 417 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA BHQ85 UT WOS:000326407700001 ER PT J AU Ke, Y Leung, LR Huang, M Li, H AF Ke, Y. Leung, L. R. Huang, M. Li, H. TI Enhancing the representation of subgrid land surface characteristics in land surface models SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID GLOBAL VEGETATION MODEL; OROGRAPHIC PRECIPITATION; CLIMATE; SYSTEM; FLUXES; HYDROLOGY; SCHEME; ENERGY; WATER AB Land surface heterogeneity has long been recognized as important to represent in the land surface models. In most existing land surface models, the spatial variability of surface cover is represented as subgrid composition of multiple surface cover types, although subgrid topography also has major controls on surface processes. In this study, we developed a new subgrid classification method (SGC) that accounts for variability of both topography and vegetation cover. Each model grid cell was represented with a variable number of elevation classes and each elevation class was further described by a variable number of vegetation types optimized for each model grid given a predetermined total number of land response units (LRUs). The subgrid structure of the Community Land Model (CLM) was used to illustrate the newly developed method in this study. Although the new method increases the computational burden in the model simulation compared to the CLM subgrid vegetation representation, it greatly reduced the variations of elevation within each subgrid class and is able to explain at least 80% of the total subgrid plant functional types (PFTs). The new method was also evaluated against two other subgrid methods (SGC1 and SGC2) that assigned fixed numbers of elevation and vegetation classes for each model grid (SGC1: M elevation bands-N PFTs method; SGC2: N PFTs-M elevation bands method). Implemented at five model resolutions (0.1 degrees, 0.25 degrees, 0.5 degrees, 1.0 degrees and 2.0 degrees) with three maximum-allowed total number of LRUs (i.e., N_LRU of 24, 18 and 12) over North America (NA), the new method yielded more computationally efficient subgrid representation compared to SGC1 and SGC2, particularly at coarser model resolutions and moderate computational intensity (N_LRU = 18). It also explained the most PFTs and elevation variability that is more homogeneously distributed spatially. The SGC method will be implemented in CLM over the NA continent to assess its impacts on simulating land surface processes. C1 [Ke, Y.] Capital Normal Univ, Dept Resource Environm & Tourism, Base State Key Lab Urban Environm Proc & Digital, Beijing 100048, Peoples R China. [Ke, Y.; Leung, L. R.; Huang, M.; Li, H.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Leung, LR (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM ruby.leung@pnnl.gov RI Li, Hong-Yi/C-9143-2014; Huang, Maoyi/I-8599-2012 OI Li, Hong-Yi/0000-0001-5690-3610; Huang, Maoyi/0000-0001-9154-9485 FU DOE [DE-AC06-76RLO 1830]; Key Program of National Natural Science Foundation of China (NSFC) [41130744/D0107]; General Program of NFSC [41171335/D010702]; 973 Program of China [2012CB723403] FX The authors acknowledge the Pacific Northwest National Laboratory (PNNL) Integrated Regional Earth System Modeling Initiative, which supported the development of databases used in the study, and the Office of Science of the US Department of Energy through the Earth System Modeling program, which supported the development and analysis of various subgrid classification methods. PNNL is operated by Battelle for the DOE under Contract DE-AC06-76RLO 1830. The authors also acknowledge the support from the Key Program of National Natural Science Foundation of China (NSFC) (41130744/D0107), the General Program of NFSC (41171335/D010702), and the 973 Program of China (2012CB723403). NR 26 TC 5 Z9 5 U1 0 U2 7 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2013 VL 6 IS 5 BP 1609 EP 1622 DI 10.5194/gmd-6-1609-2013 PG 14 WC Geosciences, Multidisciplinary SC Geology GA 247FK UT WOS:000326601300014 ER PT J AU McNeall, DJ Challenor, PG Gattiker, JR Stone, EJ AF McNeall, D. J. Challenor, P. G. Gattiker, J. R. Stone, E. J. TI The potential of an observational data set for calibration of a computationally expensive computer model SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID SENSITIVITY; ENSEMBLE AB We measure the potential of an observational data set to constrain a set of inputs to a complex and computationally expensive computer model. We use each member in turn of an ensemble of output from a computationally expensive model, corresponding to an observable part of a modelled system, as a proxy for an observational data set. We argue that, given some assumptions, our ability to constrain uncertain parameter inputs to a model using its own output as data, provides a maximum bound for our ability to constrain the model inputs using observations of the real system. The ensemble provides a set of known parameter input and model output pairs, which we use to build a computationally efficient statistical proxy for the full computer model, termed an emulator. We use the emulator to find and rule out "implausible" values for the inputs of held-out ensemble members, given the computer model output. As we know the true values of the inputs for the ensemble, we can compare our constraint of the model inputs with the true value of the input for any ensemble member. Measures of the quality of constraint have the potential to inform strategy for data collection campaigns, before any real-world data is collected, as well as acting as an effective sensitivity analysis. We use an ensemble of the ice sheet model Glimmer to demonstrate our measures of quality of constraint. The ensemble has 250 model runs with 5 uncertain input parameters, and an output variable representing the pattern of the thickness of ice over Greenland. We have an observation of historical ice sheet thickness that directly matches the output variable, and offers an opportunity to constrain the model. We show that different ways of summarising our output variable (ice volume, ice surface area and maximum ice thickness) offer different potential constraints on individual input parameters. We show that combining the observational data gives increased power to constrain the model. We investigate the impact of uncertainty in observations or in model biases on our measures, showing that even a modest uncertainty can seriously degrade the potential of the observational data to constrain the model. C1 [McNeall, D. J.] Met Off, Hadley Ctr, Exeter, Devon, England. [Challenor, P. G.] Univ Exeter, Coll Engn Math & Phys Sci, Exeter, Devon, England. [Gattiker, J. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Stone, E. J.] Univ Bristol, Sch Geog Sci, Bristol, Avon, England. RP McNeall, DJ (reprint author), Met Off, Hadley Ctr, Exeter, Devon, England. EM doug.mcneall@metoffice.gov.uk RI Challenor, Peter/M-2579-2016 OI Challenor, Peter/0000-0001-8661-2718 FU ice2sea programme from the European Union 7th Framework Programme [226375] FX This work was supported by funding from the ice2sea programme from the European Union 7th Framework Programme, grant number 226375. Ice2sea contribution number 154. We would like to thank referees M. Crucifix and I. Vernon for helping to improve the manuscript. We also thank those colleagues that made suggestions of relevant literature via the social networking website Twitter. NR 24 TC 7 Z9 7 U1 0 U2 10 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2013 VL 6 IS 5 BP 1715 EP 1728 DI 10.5194/gmd-6-1715-2013 PG 14 WC Geosciences, Multidisciplinary SC Geology GA 247FK UT WOS:000326601300021 ER PT J AU Ding, F Xu, W Chen, XL Zhang, J Engelhard, MH Zhang, YH Johnson, BR Crum, JV Blake, TA Liu, XJ Zhang, JG AF Ding, Fei Xu, Wu Chen, Xilin Zhang, Jian Engelhard, Mark H. Zhang, Yaohui Johnson, Bradley R. Crum, Jarrod V. Blake, Thomas A. Liu, Xingjiang Zhang, Ji-Guang TI Effects of Carbonate Solvents and Lithium Salts on Morphology and Coulombic Efficiency of Lithium Electrode SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID IONIC LIQUID ELECTROLYTES; CYCLIC ETHER ELECTROLYTES; VINYL ETHYLENE CARBONATE; METAL-ANODE; IMIDES/ETHYLENE CARBONATE; INTERFACIAL PROPERTIES; ORGANIC ELECTROLYTES; PROPYLENE CARBONATE; SECONDARY BATTERIES; SURFACE-CHEMISTRY AB The application of lithium (Li) metal anodes in rechargeable batteries is hindered by Li dendrite growth during Li deposition and low Li Coulombic efficiency (CE), where the nonaqueous electrolyte plays a critical role. In this work, the effects of different carbonate solvents and Li salts on Li deposition morphology and CE were systematically investigated. Typically, cyclic carbonates favor the formation of uniform Li films and improve Li CE more than linear carbonates do. Several specific cyclic carbonates that are conventionally used as solid electrolyte interphase (SET) formation additives in Li-ion batteries can also improve the CE of Li anodes. Furthermore, among the nine electrolyte salts studied, LiAsF6 and lithium bis(oxalato)borate (LiBOB) lead to the highest CE. LiBOB also leads to better uniformity of deposited Li than other salts do. Considering the better safety of LiBOB as compared to LiAsF6, LiBOB is a promising salt for rechargeable Li metal batteries with high CE. By combining the best electrolyte solvent/salt that can lead to high CE with novel electrolyte additives that can prevent dendrite formation, it is possible to find an electrolyte that not only prevents Li dendrite formation but also leads to high CE during Li deposition/stripping processes. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Ding, Fei; Xu, Wu; Chen, Xilin; Zhang, Jian; Zhang, Yaohui; Johnson, Bradley R.; Crum, Jarrod V.; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. [Ding, Fei; Liu, Xingjiang] Tianjin Inst Power Sources, Natl Key Lab Power Sources, Tianjin 300381, Peoples R China. [Engelhard, Mark H.] Pacific NW Natl Lab, Environm & Mol Sci Lab, Richland, WA 99354 USA. [Zhang, Yaohui] Harbin Inst Technol, Dept Phys, Ctr Condensed Matter Sci & Technol, Harbin 150001, Peoples R China. [Blake, Thomas A.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99354 USA. RP Ding, F (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. EM wu.xu@pnnl.gov; jiguang.zhang@pnnl.gov FU Laboratory Directed Research and Development fund of Pacific Northwest National Laboratory (PNNL); DOE's Office of Biological and Environmental Research FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technology of the U.S. Department of Energy (DOE) and the Laboratory Directed Research and Development fund of Pacific Northwest National Laboratory (PNNL). The XPS work was performed at the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL. The LiDFOB salt sample was kindly provided by Professor Brett Lucht of the University of Rhode Island. NR 60 TC 14 Z9 14 U1 8 U2 91 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 10 BP A1894 EP A1901 DI 10.1149/2.100310jes PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 241ZO UT WOS:000326207400039 ER PT J AU Nadimpalli, SPV Sethuraman, VA Bucci, G Srinivasan, V Bower, AF Guduru, PR AF Nadimpalli, Siva P. V. Sethuraman, Vijay A. Bucci, Giovanna Srinivasan, Venkat Bower, Allan F. Guduru, Pradeep R. TI On Plastic Deformation and Fracture in Si Films during Electrochemical Lithiation/Delithiation Cycling SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM-ION BATTERIES; SINGLE-CRYSTAL SILICON; THIN-FILMS; AMORPHOUS-SILICON; PHOTOELECTRON-SPECTROSCOPY; STRESS EVOLUTION; SURFACE STRESS; HIGH-CAPACITY; ELECTRODES; LI AB An in situ study of deformation, fracture, and fatigue behavior of silicon as a lithium-ion battery electrode material is presented. Thin films (100-200 nm) of silicon are cycled in a half-cell configuration with lithium metal foil as counter/reference electrode, with 1M lithium hexafluorophosphate in ethylene carbonate, diethylene carbonate, dimethyl carbonate solution (1:1:1, wt%) as electrolyte. Stress evolution in the Si thin-film electrodes during electrochemical lithiation and delithiation is measured by monitoring the substrate curvature using the multi-beam optical sensing method. The stress measurements have been corrected for contributions from residual stress arising from sputter-deposition. An indirect method for estimating the potential errors due to formation of the solid-electrolyte-interphase layer and surface charge on the stress measurements was presented. The films undergo extensive inelastic deformation during lithiation and delithiation. The peak compressive stress during lithiation was 1.48 GPa. The stress data along with the electron microscopy observations are used to estimate an upper bound fracture resistance of lithiated Si, which is approximately 9-11 J/m(2). Fracture initiation and crack density evolution as a function of cycle number is also reported. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Nadimpalli, Siva P. V.; Sethuraman, Vijay A.; Bucci, Giovanna; Bower, Allan F.; Guduru, Pradeep R.] Brown Univ, Sch Engn, Providence, RI 02912 USA. [Srinivasan, Venkat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Nadimpalli, SPV (reprint author), Brown Univ, Sch Engn, Providence, RI 02912 USA. EM pradeep_guduru@brown.edu RI Sethuraman, Vijay/E-5702-2010 OI Sethuraman, Vijay/0000-0003-4624-1355 FU US Department of Energy through the DOE EPSCoR [DE-SC0007074] FX The authors gratefully acknowledge funding from the US Department of Energy through the DOE EPSCoR Implementation grant no. DE-SC0007074. NR 50 TC 27 Z9 29 U1 8 U2 50 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 10 BP A1885 EP A1893 DI 10.1149/2.098310jes PG 9 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 241ZO UT WOS:000326207400038 ER PT J AU Weng, W Tao, YT Zhang, ZC Redfern, PC Curtiss, LA Amine, K AF Weng, Wei Tao, Yunting Zhang, Zhengcheng Redfern, Paul C. Curtiss, Larry A. Amine, Khalil TI Asymmetric Form of Redox Shuttle Based on 1,4-Di-tert-butyl-2,5-dimethoxybenzene SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM-ION BATTERIES; ELECTROCHEMICAL OVERCHARGE PROTECTION; TETRAHYDROFURAN SOLUTIONS; ADDITIVES; CELLS; ELECTROLYTES; STABILITY; OXIDATION AB The concept of redox shuttles (RS) has been applied in lithium ion batteries for overcharge protection as well as catholytes for non-aqueous flow batteries. Stable RS compounds typically have a symmetric molecular structure with C2 v symmetry incorporating two identical alkoxy groups. We have successfully broken this symmetry by incorporating two non-identical alkoxy groups (-OMe and -OCH2CF3) on the parent 2,5-di-tert-butylbenzene structure. This asymmetric form of RS compound can survive more than 70 overcharge cycles for more than 1000 hours (100% overcharge, C/5 rate) at relatively low concentration of 0.1 M RS in 1.2M LiPF6 EC/EMC electrolyte for LiFePO4 /Li4Ti5O12 cell. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Weng, Wei; Tao, Yunting; Zhang, Zhengcheng; Redfern, Paul C.; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Weng, W (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zzhang@anl.gov FU Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; U.S. Department of Energy [DE-AC02-06CH11357] FX This work was supported by the Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC02-06CH11357. NR 33 TC 4 Z9 4 U1 0 U2 25 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 10 BP A1711 EP A1715 DI 10.1149/2.044310jes PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 241ZO UT WOS:000326207400013 ER PT J AU Xue, Z Zhang, ZC Hu, LB Amine, K AF Xue, Zheng Zhang, Zhengcheng Hu, Libo Amine, Khalil TI Polysiloxane-Epoxide as Cross-Linkable Binders for Lithium-Ion Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID ELECTRODES; PERFORMANCE; POLYMERS; CATHODE AB Cross-linkable polysiloxane-epoxides were synthesized and investigated as new electrode binders for lithium-ion batteries. Mesocarbon microbead (MCMB) electrodes were prepared with a series of polysiloxane-epoxides precursors thermally cross-linked by polyamines and evaluated electrochemically in MCMB/Li cells. We demonstrated that the composition and functionality of the new cross-linked binders play a significant role in the lithium-ion cell performance (C) 2013 The Electrochemical Society. All rights reserved. C1 [Xue, Zheng; Zhang, Zhengcheng; Hu, Libo; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Xue, Z (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zzhang@anl.gov RI Hu, Libo/A-5911-2012 FU U.S. Department of Energy, Vehicle Technologies Office; U.S. Department of Energy by UChicago Argonne, LLC [DE-AC02-06CH11357] FX This research is supported by U.S. Department of Energy, Vehicle Technologies Office. The authors thank Dr. Libo Hu for his valuable assistance on SEM. The electron microscopy study was performed at the Electron Microscopy Center for Materials Research at Argonne National Laboratory. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC02-06CH11357. NR 19 TC 2 Z9 2 U1 2 U2 35 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 10 BP A1819 EP A1823 DI 10.1149/2.087310jes PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 241ZO UT WOS:000326207400030 ER PT J AU Zheng, JM Gu, M Wagner, MJ Hays, KA Li, XH Zuo, PJ Wang, CM Zhang, JG Liu, J Xiao, J AF Zheng, Jianming Gu, Meng Wagner, Michael J. Hays, Kevin A. Li, Xiaohong Zuo, Pengjian Wang, Chongmin Zhang, Ji-Guang Liu, Jun Xiao, Jie TI Revisit Carbon/Sulfur Composite for Li-S Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM-SULFUR BATTERIES; CARBON COMPOSITES; CATHODE MATERIALS; ELECTROLYTE; PERFORMANCE; POROSITY AB To correlate the carbon properties, e.g. surface area and porous structure, with the electrochemical behaviors of carbon/sulfur (C/S) composite cathodes for lithium-sulfur (Li-S) batteries, four different carbon frameworks including Ketjen Black (KB, high surface area and porous), Graphene (high surface area and nonporous), Acetylene Black (AB, low surface area and nonporous) and Hollow Carbon Nano Sphere (HCNS, low surface area and porous) are employed to immobilize sulfur (80 wt%). It has been revealed that high surface area of carbon improves the utilization rate of active sulfur and decreases the real current density during the electrochemical reactions. Accordingly, increased reversible capacities and reduced polarization are observed for high surface area carbon hosts such as KB/S and graphene/S composites. The porous structure of KB or HCNS matrix promotes the long-term cycling stability of C/S composites but only at relatively low rate (0.2 C). Once the current density increases, the pore effect completely disappears and all Li-S batteries show similar trend of capacity degradation regardless of the different carbon hosts used in the cathodes. The reason has been assigned to the formation of reduced amount of irreversible Li2S on the cathode as well as shortened time for polysulfides to transport toward lithium anode at elevated current densities. This work provides valuable information for predictive selection on carbon materials to construct C/S composite for practical applications from the electrochemical point of view. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Zheng, Jianming; Gu, Meng; Li, Xiaohong; Zuo, Pengjian; Wang, Chongmin; Zhang, Ji-Guang; Liu, Jun; Xiao, Jie] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wagner, Michael J.; Hays, Kevin A.] George Washington Univ, Washington, DC 20052 USA. RP Zheng, JM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jie.xiao@pnnl.gov RI Gu, Meng/B-8258-2013; Zheng, Jianming/F-2517-2014 OI Zheng, Jianming/0000-0002-4928-8194 FU Office of Vehicle Technologies of the U. S. Department of Energy; Department of Energy's Office of Biological and Environmental Research; DOE [DE-AC05-76RL01830] FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U. S. Department of Energy. The TEM and SEM were conducted at the Environmental and 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. PNNL is a multi-program national laboratory operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 25 TC 45 Z9 45 U1 12 U2 78 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 10 BP A1624 EP A1628 DI 10.1149/2.013310jes PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 241ZO UT WOS:000326207400002 ER PT J AU Rodgers, MP Pearman, BP Bonville, LJ Cullen, DA Mohajeri, N Slattery, DK AF Rodgers, Marianne P. Pearman, Benjamin P. Bonville, Leonard J. Cullen, David A. Mohajeri, Nahid Slattery, Darlene K. TI Evaluation of the Effect of Impregnated Platinum on PFSA Degradation for PEM Fuel Cells SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID POLYMER-ELECTROLYTE MEMBRANES; EXCHANGE MEMBRANE; DURABILITY; DEPOSITION; DISSOLUTION; PARTICLE; MODEL; PT/C; BAND AB One of the main sources of membrane degradation in fuel cells is attack by radicals formed wherever Pt, H-2, and O-2 are present. The effect of Pt precipitated in the membrane is under debate. Although Pt can provide another site for radical formation, it can also scavenge hydrogen peroxide and radicals in the membrane and improve durability. In this work, the effects of Pt particles within the membrane are evaluated and related to membrane degradation. Membranes were ex situ impregnated with 0, 10, 30, and 50 mol% Pt and then tested for 100 h in a fuel cell, at 90 degrees C/100% relative humidity. The highest degradation was observed with the membranes containing 10 mol% Pt, with fluoride emissions of the same magnitude as those of catalyst coated membranes containing Pt/C. Membranes containing 0, 30, and 50 mol% Pt resulted in very low fluoride emission. The high degradation in the 10 mol% membrane was attributed to the low density of platinum particles, which allows generated radicals to attack the membrane before being deactivated. In the 30 mol% and 50 mol% membranes, where the platinum particles were denser, the generated radicals became deactivated on neighboring particles before they attacked the membrane. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Rodgers, Marianne P.; Pearman, Benjamin P.; Bonville, Leonard J.; Mohajeri, Nahid; Slattery, Darlene K.] Univ Cent Florida, Florida Solar Energy Ctr, Cocoa, FL 32922 USA. [Cullen, David A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Rodgers, MP (reprint author), Univ Cent Florida, Florida Solar Energy Ctr, Cocoa, FL 32922 USA. EM mrodgers@fsec.ucf.edu RI Cullen, David/A-2918-2015 OI Cullen, David/0000-0002-2593-7866 FU DOE [DE-FC36-06GO16028]; Oak Ridge National Laboratory's Shared Research Equipment (ShaRE) User Program; Office of Basic Energy Sciences, U.S. Department of Energy FX Financial Support was provided by DOE contract number DE-FC36-06GO16028. TEM research was sponsored by Oak Ridge National Laboratory's Shared Research Equipment (ShaRE) User Program, which is sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy. The authors thank Peter Kubiak and Nicholas Miller for running ion chromatography experiments. NR 21 TC 7 Z9 7 U1 1 U2 11 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 10 BP F1123 EP F1128 DI 10.1149/2.055310jes PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 241ZO UT WOS:000326207400074 ER PT J AU Anderson, LN Culley, DE Hofstad, BA Chauvigne-Hines, LM Zink, EM Purvine, SO Smith, RD Callister, SJ Magnuson, JM Wright, AT AF Anderson, Lindsey N. Culley, David E. Hofstad, Beth A. Chauvigne-Hines, Lacie M. Zink, Erika M. Purvine, Samuel O. Smith, Richard D. Callister, Stephen J. Magnuson, Jon M. Wright, Aaron T. TI Activity-based protein profiling of secreted cellulolytic enzyme activity dynamics in Trichoderma reesei QM6a, NG14, and RUT-C30 SO MOLECULAR BIOSYSTEMS LA English DT Article ID FACTORS INFLUENCING GLYCOSYLATION; TANDEM MASS-SPECTRA; LIGNOCELLULOSIC BIOMASS; PEPTIDE IDENTIFICATION; N-GLYCOSYLATION; ACCURATE MASS; CELLULASES; PROTEOMICS; HEMICELLULASES; THERMOPHILUM AB Lignocellulosic biomass has great promise as a highly abundant and renewable source for the production of biofuels. However, the recalcitrant nature of lignocellulose toward hydrolysis into soluble sugars remains a significant challenge to harnessing the potential of this source of bioenergy. A primary method for deconstructing lignocellulose is via chemical treatments, high temperatures, and hydrolytic enzyme cocktails, many of which are derived from the fungus Trichoderma reesei. Herein, we use an activity-based probe for glycoside hydrolases to rapidly identify optimal conditions for maximum enzymatic lignocellulose deconstruction. We also demonstrate that subtle changes to enzyme composition and activity in various strains of T. reesei can be readily characterized by our probe approach. The approach also permits multimodal measurements, including fluorescent gel-based analysis of activity in response to varied conditions and treatments, and mass spectrometry-based quantitative identification of labelled proteins. We demonstrate the promise this probe approach holds to facilitate rapid production of enzyme cocktails for high-efficiency lignocellulose deconstruction to accommodate high-yield biofuel production. C1 [Anderson, Lindsey N.; Chauvigne-Hines, Lacie M.; Zink, Erika M.; Purvine, Samuel O.; Smith, Richard D.; Callister, Stephen J.; Wright, Aaron T.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Culley, David E.; Hofstad, Beth A.; Magnuson, Jon M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wright, AT (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. EM aaron.wright@pnnl.gov RI Smith, Richard/J-3664-2012; Zink, Erika/E-2135-2014; Anderson, Lindsey /S-6375-2016; OI Smith, Richard/0000-0002-2381-2349; Zink, Erika/0000-0003-0754-9816; Anderson, Lindsey /0000-0002-8741-7823; Wright, Aaron/0000-0002-3172-5253 FU Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL); U.S. DOE [DE-AC05-76RL01830] FX This work was supported by the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL), amulti-program national laboratory operated by Battelle for the U.S. DOE under contract DE-AC05-76RL01830. This work used instrumentation and capabilities developed under the National Institute of General Medical Sciences (8P41GM103493-10), and the U.S. DOE Office of Biological and Environmental Research (DOE-BER). Mass spectrometry-based proteomic measurements were performed in the Environmental Molecular Sciences Laboratory, a DOE-BER national scientific user facility at PNNL. NR 46 TC 5 Z9 5 U1 1 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1742-206X EI 1742-2051 J9 MOL BIOSYST JI Mol. Biosyst. PY 2013 VL 9 IS 12 BP 2992 EP 3000 DI 10.1039/c3mb70333a PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 245JX UT WOS:000326461000006 PM 24121482 ER PT J AU Gu, Y Ha, JW Augspurger, AE Chen, KC Zhu, SB Fang, N AF Gu, Yan Ha, Ji Won Augspurger, Ashley E. Chen, Kuangcai Zhu, Shaobin Fang, Ning TI Single Particle Orientation and Rotational Tracking (SPORT) in biophysical studies SO NANOSCALE LA English DT Article ID INTERFERENCE CONTRAST MICROSCOPY; LIVE CELL-MEMBRANES; GOLD NANORODS; QUANTUM DOTS; ANISOTROPIC NANOPARTICLES; LATERAL DIFFUSION; AXONAL-TRANSPORT; LIVING CELLS; MYOSIN-V; CORRELATION SPECTROSCOPY AB The single particle orientation and rotational tracking (SPORT) techniques have seen rapid development in the past 5 years. Recent technical advances have greatly expanded the applicability of SPORT in biophysical studies. In this feature article, we survey the current development of SPORT and discuss its potential applications in biophysics, including cellular membrane processes and intracellular transport. C1 [Gu, Yan; Ha, Ji Won; Augspurger, Ashley E.; Chen, Kuangcai; Zhu, Shaobin; Fang, Ning] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Gu, Yan; Ha, Ji Won; Chen, Kuangcai; Zhu, Shaobin; Fang, Ning] US DOE, Ames Lab, Ames, IA 50011 USA. RP Fang, N (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM nfang@iastate.edu RI Gu, Yan/B-5014-2014; Gu, Yan/P-1419-2014 OI Gu, Yan/0000-0001-6677-6432 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory; Iowa State University [DE-AC02-07CH11358]; Plant Sciences Institute at Iowa State University; American Chemical Society Division of Analytical Chemistry Graduate Fellowship FX The work was supported mainly by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract no. DE-AC02-07CH11358. Y.G., K.C., and S.Z. were supported in part by a grant from the Plant Sciences Institute at Iowa State University. Y.G. was supported by an American Chemical Society Division of Analytical Chemistry Graduate Fellowship in summer 2013. NR 71 TC 10 Z9 10 U1 1 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 22 BP 10753 EP 10764 DI 10.1039/c3nr02254d PG 12 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 242GD UT WOS:000326225500005 PM 23963363 ER PT J AU Lee, D Rho, Y Allen, FI Minor, AM Ko, SH Grigoropoulos, CP AF Lee, Daeho Rho, Yoonsoo Allen, Frances I. Minor, Andrew M. Ko, Seung Hwan Grigoropoulos, Costas P. TI Synthesis of hierarchical TiO2 nanowires with densely-packed and omnidirectional branches SO NANOSCALE LA English DT Article ID SENSITIZED SOLAR-CELLS; PHOTOCATALYTIC ACTIVITY; HYDROGEN-PRODUCTION; ENERGY APPLICATIONS; THIN-FILMS; ANATASE; ARRAYS; RUTILE; NANORODS; FABRICATION AB In this study, a hierarchical TiO2 nanostructure with densely-packed and omnidirectional branches grown by a hydrothermal method is introduced. This morphology is achieved via high-concentration TiCl4 treatment of upright backbone nanowires (NWs) followed by hydrothermal growth. Secondary nanobranches grow in all directions from densely distributed, needle-like seeds on the jagged round surface of the backbone NWs. In addition, hierarchical, flower-like branches grow on the top surface of each NW, greatly increasing the surface area. For dye-sensitized solar cell (DSSC) applications, the TiO2 nanostructure demonstrated a photoconversion efficiency of up to 6.2%. A parametric study of the DSSC efficiency showed that branched TiO2 DSSCs can achieve nearly four times the efficiency of non-branched TiO2 nanowire DSSCs, and up to 170% the efficiency of previously-reported sparsely-branched TiO2 NW DSSCs. C1 [Lee, Daeho; Rho, Yoonsoo; Grigoropoulos, Costas P.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Allen, Frances I.; Minor, Andrew M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Allen, Frances I.; Minor, Andrew M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Ko, Seung Hwan] Korea Adv Inst Sci & Technol, Taejon 305701, South Korea. [Ko, Seung Hwan] Korea Adv Inst Sci & Technol, KI Nano Century, Taejon 305701, South Korea. [Ko, Seung Hwan] Seoul Natl Univ, Dept Mech & Aerosp Engn, Seoul 151744, South Korea. RP Ko, SH (reprint author), Korea Adv Inst Sci & Technol, 373-1 Gusung Dong, Taejon 305701, South Korea. EM maxko@snu.ac.kr; cgrigoro@berkeley.edu RI Ko, Seung Hwan/B-5448-2008; Ko, Seung Hwan/C-2043-2011; Foundry, Molecular/G-9968-2014; OI Ko, Seung Hwan/0000-0002-7477-0820; Lee, Daeho/0000-0002-8119-9677 FU U.S. National Science Foundation through the SINAM NSEC; Global Frontier R&D Program of the Center for Multiscale Energy System of the NRF of Korea [2011-0031569]; Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Financial support awarded to the University of California, Berkeley, by the U.S. National Science Foundation through the SINAM NSEC, and from the Global Frontier R&D Program (Grant no. 2011-0031569) of the Center for Multiscale Energy System of the NRF of Korea, are gratefully acknowledged. The TEM characterization was 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. NR 48 TC 27 Z9 28 U1 7 U2 107 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 22 BP 11147 EP 11152 DI 10.1039/c3nr02584e PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 242GD UT WOS:000326225500056 PM 24071926 ER PT J AU Ben, HX Ferguson, GA Mu, W Pu, YQ Huang, F Jarvis, M Biddy, M Deng, YL Ragauskas, AJ AF Ben, Haoxi Ferguson, Glen A. Mu, Wei Pu, Yunqiao Huang, Fang Jarvis, Mark Biddy, Mary Deng, Yulin Ragauskas, Arthur J. TI Hydrodeoxygenation by deuterium gas - a powerful way to provide insight into the reaction mechanisms SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID CATALYTIC CONVERSION; PYROLYSIS OILS; AQUEOUS-PHASE; ELECTROCATALYTIC HYDROGENATION; TRANSPORTATION FUELS; NMR CHARACTERIZATION; REACTION NETWORK; KRAFT LIGNIN; RANEY-NICKEL; BIO-OIL AB This study demonstrates the use of isotopic labelling and NMR to study the HDO process. As far as we know, this is the first reported effort to trace the incorporation of hydrogen in the HDO process of lignin pyrolysis oil thereby providing key fundamental insight into its reaction mechanism. C1 [Ben, Haoxi; Ragauskas, Arthur J.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Ben, Haoxi; Mu, Wei; Pu, Yunqiao; Huang, Fang; Deng, Yulin; Ragauskas, Arthur J.] Georgia Inst Technol, Inst Paper Sci & Technol, Atlanta, GA 30332 USA. [Ferguson, Glen A.; Jarvis, Mark; Biddy, Mary] Natl Bioenergy Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. [Mu, Wei; Deng, Yulin] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. RP Ragauskas, AJ (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. EM Art.Ragauskas@chemistry.gatech.edu RI Ben, Haoxi/G-6482-2013; Mu, Wei/D-7862-2017; OI Ben, Haoxi/0000-0002-0569-9397; Mu, Wei/0000-0001-7565-084X; Pu, Yunqiao/0000-0003-2554-1447; Ragauskas, Arthur/0000-0002-3536-554X FU PSE Fellowship program at IPST@GT; DOE [DEEE0003144] FX The authors would like to acknowledge the financial support from the PSE Fellowship program at IPST@GT and DOE (DEEE0003144). NR 34 TC 2 Z9 2 U1 4 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 44 BP 19138 EP 19142 DI 10.1039/c3cp53409j PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 242EK UT WOS:000326220000007 PM 24126949 ER PT J AU Renslow, R Babauta, J Kuprat, A Schenk, J Ivory, C Fredrickson, J Beyenal, H AF Renslow, Ryan Babauta, Jerome Kuprat, Andrew Schenk, Jim Ivory, Cornelius Fredrickson, Jim Beyenal, Haluk TI Modeling biofilms with dual extracellular electron transfer mechanisms SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID SHEWANELLA-ONEIDENSIS MR-1; MICROBIAL FUEL-CELL; OUTER-MEMBRANE CYTOCHROMES; GEOBACTER-SULFURREDUCENS BIOFILMS; ANODE-RESPIRING BACTERIA; GLASSY-CARBON ELECTRODE; WASTE-WATER TREATMENT; ELECTROCHEMICAL PROPERTIES; CONTAMINATED AQUIFERS; ANAEROBIC-DIGESTION AB Electrochemically active biofilms have a unique form of respiration in which they utilize solid external materials as terminal electron acceptors for their metabolism. Currently, two primary mechanisms have been identified for long-range extracellular electron transfer (EET): a diffusion- and a conduction-based mechanism. Evidence in the literature suggests that some biofilms, particularly Shewanella oneidensis, produce the requisite components for both mechanisms. In this study, a generic model is presented that incorporates the diffusion- and the conduction-based mechanisms and allows electrochemically active biofilms to utilize both simultaneously. The model was applied to S. oneidensis and Geobacter sulfurreducens biofilms using experimentally generated data found in the literature. Our simulation results show that (1) biofilms having both mechanisms available, especially if they can interact, may have a metabolic advantage over biofilms that can use only a single mechanism; (2) the thickness of G. sulfurreducens biofilms is likely not limited by conductivity; (3) accurate intrabiofilm diffusion coefficient values are critical for current generation predictions; and (4) the local biofilm potential and redox potential are two distinct parameters and cannot be assumed to have identical values. Finally, we determined that simulated cyclic and squarewave voltammetry based on our model are currently not capable of determining the specific percentages of extracellular electron transfer mechanisms in a biofilm. The developed model will be a critical tool for designing experiments to explain EET mechanisms. C1 [Renslow, Ryan; Babauta, Jerome; Ivory, Cornelius; Beyenal, Haluk] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. [Kuprat, Andrew] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Schenk, Jim] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. [Fredrickson, Jim] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Beyenal, H (reprint author), Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, 118 Dana Hall Spokane St,POB 642710, Pullman, WA 99164 USA. EM beyenal@wsu.edu RI Renslow, Ryan/E-5851-2010; Ivory, Cornelius/A-9407-2011; OI Renslow, Ryan/0000-0002-3969-5570; Ivory, Cornelius/0000-0001-8602-1176; Kuprat, Andrew/0000-0003-4159-918X FU U.S. Office of Naval Research (ONR) [N00014-09-1-0090]; NSF-CAREER [0954186]; U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER); NIH [T32-GM008336] FX This research was supported by the U.S. Office of Naval Research (ONR), grant #N00014-09-1-0090, NSF-CAREER award #0954186 and by the U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER), as part of BER's Subsurface Biogeochemistry Research Program (SBR). This contribution originates, in part, from the SBR Scientific Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL). Ryan Renslow and Jerome Babauta acknowledge the NIH Protein Biotechnology Training Grant (T32-GM008336). NR 92 TC 19 Z9 20 U1 5 U2 71 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 44 BP 19262 EP 19283 DI 10.1039/c3cp53759e PG 22 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 242EK UT WOS:000326220000022 PM 24113651 ER PT J AU Bai, XM Zhang, YF Tonks, MR AF Bai, Xian-Ming Zhang, Yongfeng Tonks, Michael R. TI Strain effects on oxygen transport in tetragonal zirconium dioxide SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID YTTRIA-STABILIZED ZIRCONIA; MOLECULAR-DYNAMICS SIMULATION; COLOSSAL IONIC-CONDUCTIVITY; ZRO2; TEMPERATURE; DIFFUSION; CORROSION; PHASE; HETEROSTRUCTURES; TRANSITION AB Temperature accelerated dynamics and molecular dynamics simulations are used to investigate the strain effects on oxygen interstitial and vacancy migration in tetragonal zirconium dioxide. At zero external strain, the anisotropic migration mechanisms of oxygen defects are characterized. At non-zero strains, both the crystal structure and defect migration barriers are modified by strain. Under compressive strains, the defect migration barrier increases with the increasing strain for both interstitials and vacancies. The crystal structure transforms from a tetragonal to a nearly cubic fluorite structure. Accordingly, the defect migration becomes nearly isotropic. Under dilative strains, the migration barrier first decreases then increases with increasing strain for both types of defects. The tetragonal phase transforms to a lower symmetry structure that is close to the orthorhombic phase. In turn, the defect migration becomes highly anisotropic. Under both compressive and dilative strains, interstitials respond to strain more strongly than vacancies. At small dilative strains, an oxygen interstitial has comparable diffusivity to a vacancy, suggesting that both types of defects can contribute to oxygen transport, if they are present. Although currently no previous result is available to validate oxygen interstitial diffusion behavior, the trend of strain effects on oxygen vacancy diffusion is in good agreement with available experimental and theoretical studies in the literature. C1 [Bai, Xian-Ming; Zhang, Yongfeng; Tonks, Michael R.] Idaho Natl Lab, Fuels Modeling & Simulat Dept, Idaho Falls, ID 83415 USA. RP Bai, XM (reprint author), Idaho Natl Lab, Fuels Modeling & Simulat Dept, Idaho Falls, ID 83415 USA. EM Xianming.Bai@inl.gov RI Albe, Karsten/F-1139-2011; Bai, Xianming/E-2376-2017 OI Bai, Xianming/0000-0002-4609-6576 FU Laboratory Directed Research and Development program (LDRD) at Idaho National Laboratory [12-026] FX This work is supported by the Laboratory Directed Research and Development program (LDRD project # 12-026) at Idaho National Laboratory. X.M.B. gratefully thanks Prof. Bilge Yildiz and Dr. Mostafa Youssef at Massachusetts Institute of Technologyfor helpful discussion. This manuscript was authored by a contractor (Battelle Energy Alliance, LLC) of the US Government under the Department of Energy Contract No DE-AC07-05ID14517. Accordingly, the US Government retains and the publisher, by accepting the paper for publication, acknowledges that the US Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US Government purposes. NR 52 TC 8 Z9 8 U1 1 U2 41 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 44 BP 19438 EP 19449 DI 10.1039/c3cp53562b PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 242EK UT WOS:000326220000041 PM 24127018 ER PT J AU Mohanty, D Sefat, AS Li, JL Meisner, RA Rondinone, AJ Payzant, EA Abraham, DP Wood, DL Daniel, C AF Mohanty, Debasish Sefat, Athena S. Li, Jianlin Meisner, Roberta A. Rondinone, Adam J. Payzant, E. Andrew Abraham, Daniel P. Wood, David L., III Daniel, Claus TI Correlating cation ordering and voltage fade in a lithium-manganese- rich lithium-ion battery cathode oxide: a joint magnetic susceptibility and TEM study SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID X-RAY-DIFFRACTION; STRUCTURAL TRANSFORMATION; ELECTRON-MICROSCOPY; RECENT PROGRESS; PERFORMANCE; HYSTERESIS; PRODUCTS; LI2MNO3; LICOO2; RANGE AB Structure-electrochemical property correlation is presented for lithium-manganese-rich layered-layered nickel manganese cobalt oxide (LMR-NMC) having composition Li1.2Co0.1Mn0.55Ni0.15O2 (TODA HE5050) in order to examine the possible reasons for voltage fade during short-to-mid-term electrochemical cycling. The Li1.2Co0.1Mn0.55Ni0.15O2 based cathodes were cycled at two different upper cutoff voltages (UCV), 4.2 V and 4.8 V, for 1, 10, and 125 cycles; voltage fade was observed after 10 and 125 cycles only when the UCV was 4.8 V. Magnetic susceptibility and selected-area electron diffraction data showed the presence of cation ordering in the pristine material, which remained after 125 cycles when the UCV was 4.2 V. When cycled at 4.8 V, the magnetic susceptibility results showed the suppression of cation ordering after one cycle; the cation ordering diminished upon further cycling and was not observed after 125 cycles. Selected-area electron diffraction data from oxides oriented towards the [0001] zone axis revealed a decrease in the intensity of cation-ordering reflections after one cycle and an introduction of spinel-type reflections after 10 cycles at 4.8 V; after 125 cycles, only the spinel-type reflections and the fundamental O-3 layered oxide reflections were observed. A significant decrease in the effective magnetic moment of the compound after one cycle at 4.8 V indicated the presence of lithium and/ or oxygen vacancies; analysis showed a reduction of Mn4+ (high spin/ low spin) in the pristine oxide to Mn3+ (low spin) after one cycle. The effective magnetic moment was higher after 10 and 125 cycles at 4.8 V, suggesting the presence of Mn3+ in a high spin state, which is believed to originate from distorted spinel (Li2Mn2O4) and/ or spinel (LiMn2O4) compounds. The increase in effective magnetic moments was not observed when the oxide was cycled at 4.2 V, indicating the stability of the structure under these conditions. This study shows that structural rearrangements in the LMR-NMC oxide happen only at higher potentials (4.8 V, for example) and provides evidence of a direct correlation between cation ordering and voltage fade. C1 [Mohanty, Debasish; Sefat, Athena S.; Meisner, Roberta A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37931 USA. [Li, Jianlin; Wood, David L., III; Daniel, Claus] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. [Rondinone, Adam J.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37931 USA. [Payzant, E. Andrew] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Abraham, Daniel P.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Wood, David L., III; Daniel, Claus] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. RP Mohanty, D (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37931 USA. EM mohantyd@ornl.gov; danielc@ornl.gov RI Payzant, Edward/B-5449-2009; Rondinone, Adam/F-6489-2013; Daniel, Claus/A-2060-2008; Mohanty, Debasish/B-6207-2012; Li, Jianlin/D-3476-2011; Sefat, Athena/R-5457-2016 OI Wood, David/0000-0002-2471-4214; Payzant, Edward/0000-0002-3447-2060; Rondinone, Adam/0000-0003-0020-4612; Daniel, Claus/0000-0002-0571-6054; Mohanty, Debasish/0000-0003-1141-0657; Li, Jianlin/0000-0002-8710-9847; Sefat, Athena/0000-0002-5596-3504 FU U. S. Department of Energy (DOE) [00OR22725]; Energy Efficiency and Renewable Energy Vehicle Technologies Office (VTO) FX This research at Oak Ridge National Laboratory, managed by UT Battelle, LLC, for the U. S. Department of Energy (DOE) under contract DE- AC05- 00OR22725, was sponsored by the Energy Efficiency and Renewable Energy Vehicle Technologies Office (VTO) Applied Battery Research (ABR) subprogram (Program Managers: Peter Faguy and David Howell). Part of this research (magnetic measurements) was supported by the DOE Basic Energy Sciences (BES), Materials Sciences and Engineering Division and the TEM experiments by ORNL's ShaRE User Facility, which is sponsored by the DOE BES Scientific User Facilities Division. The electrodes were produced at the DOE's Cell Fabrication Facility at Argonne National Laboratory by NR 37 TC 41 Z9 41 U1 9 U2 111 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 44 BP 19496 EP 19509 DI 10.1039/c3cp53658k PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 242EK UT WOS:000326220000047 PM 24129599 ER PT J AU Giraldo, FX Kelly, JF Constantinescu, EM AF Giraldo, F. X. Kelly, J. F. Constantinescu, E. M. TI IMPLICIT-EXPLICIT FORMULATIONS OF A THREE-DIMENSIONAL NONHYDROSTATIC UNIFIED MODEL OF THE ATMOSPHERE (NUMA) SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE cloud-resolving model; compressible flow; element-based Galerkin methods; Euler; global model; IMEX; Lagrange; Legendre; mesoscale model; Navier-Stokes; nonhydrostatic; semi-implicit; spectral elements; time integration ID SEMIIMPLICIT TIME-INTEGRATORS; PARTIAL-DIFFERENTIAL-EQUATIONS; DISCONTINUOUS GALERKIN METHODS; NAVIER-STOKES EQUATIONS; RUNGE-KUTTA SCHEMES; SPECTRAL ELEMENT; MULTISTEP METHODS; ADVECTION AB We derive an implicit-explicit (IMEX) formalism for the three-dimensional (3D) Euler equations that allow a unified representation of various nonhydrostatic flow regimes, including cloud resolving and mesoscale (flow in a 3D Cartesian domain) as well as global regimes (flow in spherical geometries). This general IMEX formalism admits numerous types of methods including single-stage multistep methods (e.g., Adams methods and backward difference formulas) and multistage single-step methods (e.g., additive Runge-Kutta methods). The significance of this result is that it allows a numerical model to reuse the same machinery for all classes of time-integration methods described in this work. We also derive two classes of IMEX methods, one-dimensional and 3D, and show that they achieve their expected theoretical rates of convergence regardless of the geometry (e. g., 3D box or sphere) and introduce a new second-order IMEX Runge-Kutta method that performs better than the other second-order methods considered. We then compare all the IMEX methods in terms of accuracy and efficiency for two types of geophysical fluid dynamics problems: buoyant convection and inertia-gravity waves. These results show that the high-order time-integration methods yield better efficiency particularly when high levels of accuracy are desired. C1 [Giraldo, F. X.] US Navy, Postgrad Sch, Dept Appl Math, Monterey, CA 93943 USA. [Kelly, J. F.] Exa Corp, Burlington, MA 01803 USA. [Constantinescu, E. M.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Giraldo, FX (reprint author), US Navy, Postgrad Sch, Dept Appl Math, Monterey, CA 93943 USA. EM fxgirald@nps.edu; jfk@exa.com; emconsta@mcs.anl.gov FU Office of Naval Research [PE-0602435N]; National Science Foundation (Division of Mathematical Sciences) [121670]; Air Force Office of Scientific Research through the Computational Mathematics program; Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357] FX This author's work was supported by the Office of Naval Research through program element PE-0602435N, the National Science Foundation (Division of Mathematical Sciences) through program element 121670, and the Air Force Office of Scientific Research through the Computational Mathematics program.; This author's work was supported by the Air Force Office of Scientific Research through the Computational Mathematics program and in part by the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DE-AC02-06CH11357. NR 31 TC 28 Z9 28 U1 3 U2 15 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 5 BP B1162 EP B1194 DI 10.1137/120876034 PG 33 WC Mathematics, Applied SC Mathematics GA 243WF UT WOS:000326348400021 ER PT J AU Demidov, D Ahnert, K Rupp, K Gottschling, P AF Demidov, Denis Ahnert, Karsten Rupp, Karl Gottschling, Peter TI PROGRAMMING CUDA AND OPENCL: A CASE STUDY USING MODERN C plus plus LIBRARIES SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE GPGPU; OpenCL; CUDA; C plus; Boost.odeint; MTL4; VexCL; ViennaCL AB We present a comparison of several modern C++ libraries providing high-level interfaces for programming multi-and many-core architectures on top of CUDA or OpenCL. The comparison focuses on the solution of ordinary differential equations (ODEs) and is based on odeint, a framework for the solution of systems of ODEs. Odeint is designed in a very flexible way and may be easily adapted for effective use of libraries such as MTL4, VexCL, or ViennaCL, using CUDA or OpenCL technologies. We found that CUDA and OpenCL work equally well for problems of large sizes, while OpenCL has higher overhead for smaller problems. Furthermore, we show that modern high-level libraries allow us to effectively use the computational resources of many-core GPUs or multicore CPUs without much knowledge of the underlying technologies. C1 [Demidov, Denis] Russian Acad Sci, Kazan Branch, Joint Supercomp Ctr, Kazan 420111, Russia. [Ahnert, Karsten] Ambrosys GmbH, D-14471 Potsdam, Germany. [Rupp, Karl] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Gottschling, Peter] SimuNova, D-01069 Dresden, Germany. [Gottschling, Peter] Tech Univ Dresden, Inst Comp Sci, D-01062 Dresden, Germany. RP Demidov, D (reprint author), Russian Acad Sci, Kazan Branch, Joint Supercomp Ctr, Kazan 420111, Russia. EM ddemidov@ksu.ru; karsten.ahnert@gmx.de; rupp@mcs.anl.gov; peter.gottschling@simunova.com OI Demidov, Denis/0000-0002-5794-5326 FU Russian Foundation for Basic Research (RFBR) [12-07-0007]; Austrian Science Fund (FWF) [P23598] FX This work was partially supported by the Russian Foundation for Basic Research (RFBR) grant 12-07-0007 and the Austrian Science Fund (FWF) grant P23598. NR 35 TC 6 Z9 6 U1 0 U2 2 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 5 BP C453 EP C472 DI 10.1137/120903683 PG 20 WC Mathematics, Applied SC Mathematics GA 243WF UT WOS:000326348400023 ER PT J AU Kuhlemann, V Vassilevski, PS AF Kuhlemann, Verena Vassilevski, Panayot S. TI IMPROVING THE COMMUNICATION PATTERN IN MATRIX-VECTOR OPERATIONS FOR LARGE SCALE-FREE GRAPHS BY DISAGGREGATION SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE scale-free graphs; parallel computation; Laplacian matrices; disaggregation ID PARALLEL; ALGORITHM; NETWORKS; WEB AB Matrix-vector multiplication is the key operation in any Krylov-subspace iteration method. We are interested in Krylov methods applied to problems associated with the graph Laplacian arising from large scale-free graphs. Computations with graphs of this type on parallel distributed-memory computers are challenging. This is due to the fact that scale-free graphs have a degree distribution that follows a power law, and currently available graph partitioners are not efficient for such an irregular degree distribution. The lack of a good partitioning leads to excessive interprocessor communication requirements during every matrix-vector product. We present an approach to alleviate this problem based on embedding the original irregular graph into a more regular one by disaggregating (splitting up) vertices in the original graph. The matrix-vector operations for the original graph are performed via a factored triple matrix-vector product involving the embedding graph. Even though the latter graph is larger, we are able to decrease the communication requirements considerably and improve the performance of the matrix-vector product. C1 [Kuhlemann, Verena] Emory Univ, Dept Math & Comp Sci, Atlanta, GA 30322 USA. [Vassilevski, Panayot S.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Kuhlemann, V (reprint author), Emory Univ, Dept Math & Comp Sci, Atlanta, GA 30322 USA. EM vkuhlem@gmail.com; panayot@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. Government FX Received by the editors July 2, 2012; accepted for publication (in revised form) August 5, 2013; published electronically October 28, 2013. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. This work was performed by an employee of the U.S. Government or under U.S. Government contract. 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. Copyright is owned by SIAM to the extent not limited by these rights. NR 38 TC 2 Z9 2 U1 0 U2 0 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 5 BP S465 EP S486 DI 10.1137/12088313X PG 22 WC Mathematics, Applied SC Mathematics GA 243WF UT WOS:000326348400048 ER PT J AU Lin, L Yang, C AF Lin, Lin Yang, Chao TI ELLIPTIC PRECONDITIONER FOR ACCELERATING THE SELF-CONSISTENT FIELD ITERATION IN KOHN-SHAM DENSITY FUNCTIONAL THEORY SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE Kohn-Sham density functional theory; self-consistent field iteration; fixed point iteration; elliptic preconditioner ID ELECTRONIC-STRUCTURE CALCULATIONS; TOTAL-ENERGY CALCULATIONS; CAUCHY-BORN RULE; WAVE BASIS-SET; DIELECTRIC-CONSTANT; CONVERGENCE; APPROXIMATION; ALGORITHM; CRYSTALS; SYSTEMS AB We discuss techniques for accelerating the self-consistent field iteration for solving the Kohn-Sham equations. These techniques are all based on constructing approximations to the inverse of the Jacobian associated with a fixed point map satisfied by the total potential. They can be viewed as preconditioners for a fixed point iteration. We point out different requirements for constructing preconditioners for insulating and metallic systems, respectively, and discuss how to construct preconditioners to keep the convergence rate of the fixed point iteration independent of the size of the atomistic system. We propose a new preconditioner that can treat insulating and metallic systems in a unified way. The new preconditioner, which we call an elliptic preconditioner, is constructed by solving an elliptic partial differential equation. The elliptic preconditioner is shown to be more effective in accelerating the convergence of a fixed point iteration than the existing approaches for large inhomogeneous systems at low temperature. C1 [Lin, Lin; Yang, Chao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Lin, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. EM linlin@lbl.gov; cyang@lbl.gov FU Lawrence Berkeley National Laboratory under the U.S. Department of Energy [DE-AC02-05CH11231]; Scientific Discovery through Advanced Computing (SciDAC) program; U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences FX Received by the editors June 11, 2012; accepted for publication (in revised form) May 8, 2013; published electronically October 28, 2013. This work was partially supported by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under the U.S. Department of Energy contract DE-AC02-05CH11231, and partially supported by Scientific Discovery through Advanced Computing (SciDAC) program funded by U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. NR 53 TC 13 Z9 13 U1 0 U2 5 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 5 BP S277 EP S298 DI 10.1137/120880604 PG 22 WC Mathematics, Applied SC Mathematics GA 243WF UT WOS:000326348400039 ER PT J AU Lowell, D Godwin, J Holewinski, J Karthik, D Choudary, C Mametjanov, A Norris, B Sabin, G Sadayappan, P Sarich, J AF Lowell, Daniel Godwin, Jeswin Holewinski, Justin Karthik, Deepan Choudary, Chekuri Mametjanov, Azamat Norris, Boyana Sabin, Gerald Sadayappan, P. Sarich, Jason TI STENCIL-AWARE GPU OPTIMIZATION OF ITERATIVE SOLVERS SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE structured grid; sparse matrix format; iterative solvers; autotuning; GPGPU; PETSc ID SYSTEMS AB Numerical solutions of nonlinear partial differential equations frequently rely on iterative Newton-Krylov methods, which linearize a finite-difference stencil-based discretization of a problem, producing a sparse matrix with regular structure. Knowledge of this structure can be used to exploit parallelism and locality of reference on modern cache-based multi and manycore architectures, achieving high performance for computations underlying commonly used iterative linear solvers. In this paper we describe our approach to sparse matrix data structure design and our implementation of the kernels underlying iterative linear solvers in PETSc. We also describe autotuning of CUDA implementations based on high-level descriptions of the stencil-based matrix and vector operations. C1 [Lowell, Daniel; Mametjanov, Azamat; Norris, Boyana; Sarich, Jason] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Godwin, Jeswin; Holewinski, Justin; Karthik, Deepan; Sadayappan, P.] Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. [Choudary, Chekuri; Sabin, Gerald] RNET Technol Inc, Dayton, OH 45459 USA. RP Lowell, D (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dlowell@mcs.anl.gov; godwin@cse.ohio-state.edu; holewins@cse.ohio-state.edu; balasubd@cse.ohio-state.edu; cchoudary@rnet-tech.com; azamat@mcs.anl.gov; norris@mcs.anl.gov; gsabin@rnet-tech.com; saday@cse.ohio-state.edu; sarich@mcs.anl.gov OI Norris, Boyana/0000-0001-5811-9731 FU U.S. Department of Energy Office of Science [DE-FOA-0000350, DE-AC02-06CH11357] FX Received by the editors July 2, 2012; accepted for publication (in revised form) April 1, 2013; published electronically October 28, 2013. This work was supported by the U.S. Department of Energy Office of Science under Contracts DE-FOA-0000350 and DE-AC02-06CH11357. This work builds on and significantly extends previous work by the authors described in [High-performance sparse matrix-vector multiplication on GPUs for structured grid computations, in Proceedings of the 5th Annual Workshop on General Purpose Processing with Graphics Processing Units, ACM, New York, 2012, pp. 47-56; Autotuning stencil-based computations on GPUs, in Proceedings of IEEE International Conference on Cluster Computing Cluster, Beiging, 2012. 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 31 TC 1 Z9 1 U1 0 U2 6 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 5 BP S209 EP S228 DI 10.1137/120883153 PG 20 WC Mathematics, Applied SC Mathematics GA 243WF UT WOS:000326348400036 ER PT J AU Newman, C Knoll, DA AF Newman, C. Knoll, D. A. TI PHYSICS-BASED PRECONDITIONERS FOR OCEAN SIMULATION SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE preconditioning; Jacobian-free Newton-Krylov methods; ocean modeling ID NEWTON-KRYLOV METHODS; FULLY-IMPLICIT MODEL; NONLINEAR-SYSTEMS; TIME INTEGRATION; CIRCULATION; EQUATIONS; SOLVER; RESOLUTION; ALGORITHM; CLIMATE AB We develop and characterize a physics-based preconditioner for ocean simulation based on barotropic-baroclinic splitting. Physics-based preconditioning is a highly successful approach for multiple time scale problems where an accurate simulation is desired on the dynamical time scale. Our approach is the development of a preconditioning strategy for a fully implicit, fully coupled, second order accurate time integration of the momentum, continuity, temperature, and salinity transport equations and equation of state of ocean dynamics. The nonlinear system is solved via preconditioned Jacobian-free Newton-Krylov, where we reformulate traditional barotropic-baroclinic splitting as a preconditioner. This strategy effectively preconditions the fully coupled three-dimensional vector system by only inverting a scalar, horizontal, two-dimensional system. Furthermore, the desired solution is timestep converged with timesteps on the order of the dynamical time scale. We provide numerical examples to support the study and compare to explicit methods to verify second order convergence and demonstrate algorithmic scalability. C1 [Newman, C.; Knoll, D. A.] Los Alamos Natl Lab, Fluid Dynam & Solid Mech Grp T3, Los Alamos, NM 87545 USA. RP Newman, C (reprint author), Los Alamos Natl Lab, Fluid Dynam & Solid Mech Grp T3, POB 1663, Los Alamos, NM 87545 USA. EM cnewman@lanl.gov; nol@lanl.gov FU U.S. government [DE-AC52-06NA25396]; U.S. Department of Energy [LA-UR-12-22330] FX Received by the editors June 15, 2012; accepted for publication (in revised form) July 15, 2013; published electronically October 28, 2013. This work was performed under U.S. government contract DE-AC52-06NA25396 for Los Alamos National Laboratory, which is operated by Los Alamos National Security for the U.S. Department of Energy (LA-UR-12-22330). NR 44 TC 4 Z9 4 U1 0 U2 4 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 5 BP S445 EP S464 DI 10.1137/120881397 PG 20 WC Mathematics, Applied SC Mathematics GA 243WF UT WOS:000326348400047 ER PT J AU Park, H Knoll, DA Rauenzahn, RM Newman, CK Densmore, JD Wollaber, AB AF Park, H. Knoll, D. A. Rauenzahn, R. M. Newman, C. K. Densmore, J. D. Wollaber, A. B. TI AN EFFICIENT AND TIME ACCURATE, MOMENT-BASED SCALE-BRIDGING ALGORITHM FOR THERMAL RADIATIVE TRANSFER PROBLEMS SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE moment-based scale-bridging algorithm; Jacobian-free Newton-Krylov; predictor-corrector; physics-based preconditioning ID NONLINEAR ACCELERATION; KRYLOV METHODS; TRANSPORT; DIFFUSION; EQUATIONS; IMPLICIT; ELIMINATION; INTEGRATION; SYSTEMS AB We present physics-based preconditioning and a time-stepping strategy for a moment-based scale-bridging algorithm applied to the thermal radiative transfer equation. Our goal is to obtain (asymptotically) second-order time accurate and consistent solutions without nonlinear iterations between the high-order (HO) transport equation and the low-order (LO) continuum system within a time step. Modified equation analysis shows that this can be achieved via a simple predictor-corrector time stepping that requires one inversion of the transport operator per time step. We propose a physics-based preconditioning based on a combination of the nonlinear elimination technique and Fleck-Cummings linearization. As a result, the LO system can be solved efficiently via a multigrid preconditioned Jacobian-free Newton-Krylov method. For a set of numerical test problems, the physics-based preconditioner reduces the number of GMRES iterations by a factor of 3 similar to 4 as compared to a standard preconditioner for advection-diffusion. Furthermore, the performance of the proposed physics-based preconditioner is insensitive to the time-step size. C1 [Park, H.; Knoll, D. A.; Rauenzahn, R. M.; Newman, C. K.] Los Alamos Natl Lab, Fluid Dynam & Solid Mech Grp T3, Los Alamos, NM 87545 USA. [Densmore, J. D.; Wollaber, A. B.] Los Alamos Natl Lab, Computat Phys & Methods Grp CCS 2, Los Alamos, NM 87545 USA. RP Park, H (reprint author), Los Alamos Natl Lab, Fluid Dynam & Solid Mech Grp T3, Los Alamos, NM 87545 USA. EM hkpark@lanl.gov; nol@lanl.gov; rick@lanl.gov; cnewman@lanl.gov; jdd@lanl.gov; wollaber@lanl.gov OI Wollaber, Allan/0000-0001-5997-9610 FU U.S. Government [DE-AC52-06NA25396] FX Received by the editors June 14, 2012; accepted for publication (in revised form) November 28, 2012; published electronically October 28, 2013. This work was performed under U.S. Government contract DE-AC52-06NA25396 for Los Alamos National Laboratory, which is operated by Los Alamos National Security, LLC for the U.S. Department of Energy. 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. Copyright is owned by SIAM to the extent not limited by these rights. NR 25 TC 10 Z9 10 U1 0 U2 8 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 5 BP S18 EP S41 DI 10.1137/120881075 PG 24 WC Mathematics, Applied SC Mathematics GA 243WF UT WOS:000326348400027 ER PT J AU Taitano, WT Knoll, DA Chacon, L Chen, GY AF Taitano, William T. Knoll, Dana A. Chacon, Luis Chen, Guangye TI DEVELOPMENT OF A CONSISTENT AND STABLE FULLY IMPLICIT MOMENT METHOD FOR VLASOV-AMPERE PARTICLE IN CELL (PIC) SYSTEM SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE implicit moment method; PIC; JFNK; kinetic enslavement ID NEWTON-KRYLOV METHODS; PLASMA SIMULATION; TIME INTEGRATION; ALGORITHM; ENERGY AB In this study, we advance the classic implicit moment method (IMM) particle simulation approach for the coupled Vlasov-Ampere system. We extend the IMM concept by (1) enforcing discrete consistency between the moment and kinetic system by introducing the concept of discrete consistency term and (2) efficiently converging the moment and kinetic system within a time step using a density normalized stress tensor. The new approach is energy conserving and is second-order accurate in time. The advantageous accuracy properties of the scheme are demonstrated with several numerical experiments including the challenging case of an ion acoustic shockwave problem. C1 [Taitano, William T.; Knoll, Dana A.; Chacon, Luis; Chen, Guangye] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. RP Taitano, WT (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. EM taitano@lanl.gov; nol@lanl.gov; chacon@lanl.gov; gchen@lanl.gov RI Chen, Guangye /K-3192-2012; OI Chacon, Luis/0000-0002-4566-8763; Chen, Guangye/0000-0002-8800-5791 NR 32 TC 11 Z9 11 U1 0 U2 9 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 5 BP S126 EP S149 DI 10.1137/120881385 PG 24 WC Mathematics, Applied SC Mathematics GA 243WF UT WOS:000326348400032 ER PT J AU Vassilevski, PS Villa, U AF Vassilevski, Panayot S. Villa, Umberto TI A BLOCK-DIAGONAL ALGEBRAIC MULTIGRID PRECONDITIONER FOR THE BRINKMAN PROBLEM SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE Brinkman problem; Stokes-Darcy coupling; saddle-point problems; block preconditioners; algebraic multigrid ID ELEMENT EXTERIOR CALCULUS; NAVIER-STOKES EQUATIONS; AUXILIARY SPACE AMG; VOLUME DISTRIBUTION; TINY HOLES; HOMOGENIZATION; H(CURL); FLOW AB The Brinkman model is a unified law governing the flow of a viscous fluid in cavity (Stokes equations) and porous media (Darcy equations). In this work, we explore a novel mixed formulation of the Brinkman problem by introducing the flow's vorticity as an additional unknown. This formulation allows for a uniformly stable and conforming discretization by standard finite element (Nedelec, Raviart-Thomas, discontinuous piecewise polynomials). Based on the stability analysis of the problem in the H(curl) - H(div) - L-2 norms [P. S. Vassilevski and U. Villa, A mixed formulation for the Brinkman problem, SIAM J. Numer. Anal., submitted], we study a scalable block-diagonal preconditioner which is provably optimal in the constant coefficient case. Such a preconditioner takes advantage of the parallel auxiliary space AMG solvers for H(curl) and H(div) problems available in HYPRE [hypre: High Performance Preconditioners, http://www.llnl.gov/CASC/hypre/]. The theoretical results are illustrated by numerical experiments. C1 [Vassilevski, Panayot S.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. [Villa, Umberto] Emory Univ, Dept Math & Comp Sci, Atlanta, GA 30322 USA. RP Vassilevski, PS (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, POB 808,L-561, Livermore, CA 94551 USA. EM panayot@llnl.gov; uvilla@emory.edu RI Villa, Umberto/C-7956-2014 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. Government FX Received by the editors June 29, 2012; accepted for publication (in revised form) November 12, 2012; published electronically October 28, 2013. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. This work was performed by an employee of the U.S. Government or under U.S. Government contract. 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. Copyright is owned by SIAM to the extent not limited by these rights. NR 29 TC 5 Z9 5 U1 0 U2 4 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 5 BP S3 EP S17 DI 10.1137/120882846 PG 15 WC Mathematics, Applied SC Mathematics GA 243WF UT WOS:000326348400026 ER PT J AU Willert, J Kelley, CT Knoll, DA Park, H AF Willert, Jeffrey Kelley, C. T. Knoll, D. A. Park, H. TI HYBRID DETERMINISTIC/MONTE CARLO NEUTRONICS SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE JFNK methods; neutron transport; Monte Carlo simulation; hybrid methods ID DIFFUSION SYNTHETIC ACCELERATION; NONLINEAR ELIMINATION; KRYLOV METHODS; TRANSPORT; EQUATIONS; SYSTEMS AB In this paper we describe a hybrid deterministic/Monte Carlo algorithm for neutron transport simulation. The algorithm is based on nonlinear accelerators for source iteration, using Monte Carlo methods for the purely absorbing high-order problem and a Jacobian-free Newton-Krylov iteration for the low-order problem. We couple the Monte Carlo solution with the low-order problem using filtering to smooth the flux and current from the Monte Carlo solver and an analytic Jacobian-vector product to avoid numerical differentiation of the Monte Carlo results. We use a continuous energy deposition tally for the Monte Carlo simulation. We conclude the paper with numerical results which illustrate the effectiveness of the new algorithm. C1 [Willert, Jeffrey; Kelley, C. T.] N Carolina State Univ, Dept Math, Raleigh, NC 27695 USA. [Knoll, D. A.; Park, H.] Los Alamos Natl Lab, Div Theoret, MS B216, Los Alamos, NM 87545 USA. RP Willert, J (reprint author), N Carolina State Univ, Dept Math, Box 8205, Raleigh, NC 27695 USA. EM jawiller@ncsu.edu; Tim_Kelley@ncsu.edu; nol@lanl.gov; hkpark@lanl.gov FU Consortium for Advanced Simulation of Light Water Reactors; Energy Innovation Hub for Modeling and Simulation of Nuclear Reactors under U. S. Department of Energy [DE-AC05-00OR22725]; National Science Foundation [CDI-0941253]; Army Research Office [W911NF-11-1-0367, W911NF-07-1-0112] FX North Carolina State University, Department of Mathematics, Box 8205, Raleigh, NC 27695-8205 (Tim_Kelley@ncsu.edu, jawiller@ncsu.edu). The work of these authors has been partially supported by the Consortium for Advanced Simulation of Light Water Reactors (www.casl.gov), an Energy Innovation Hub (http://www.energy.gov/hubs) for Modeling and Simulation of Nuclear Reactors under U. S. Department of Energy Contract DE-AC05-00OR22725, National Science Foundation Grant CDI-0941253, and Army Research Office Grants W911NF-11-1-0367, and W911NF-07-1-0112. NR 22 TC 4 Z9 4 U1 2 U2 4 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 5 BP S62 EP S83 DI 10.1137/120880021 PG 22 WC Mathematics, Applied SC Mathematics GA 243WF UT WOS:000326348400029 ER PT J AU Srivastava, S Nykypanchuk, D Maye, MM Tkachenko, AV Gang, O AF Srivastava, Sunita Nykypanchuk, Dmytro Maye, Mathew M. Tkachenko, Alexei V. Gang, Oleg TI Super-compressible DNA nanoparticle lattices SO SOFT MATTER LA English DT Article ID FUNCTIONALIZED COLLOIDS; CRYSTALLIZATION; STRATEGIES AB The compression properties of DNA-nanoparticle assemblies were studied bymeasuring their response to the applied osmotic pressure. The lattices of nanoparticles interconnected with DNA exhibit an isotropic transformation under compression with a remarkably strong decrease of the lattice constant, up to a factor of about 1.8, corresponding to more than 80% of the volume reduction. Using insitu small angle X-ray scattering and optical microscopy, we probe the DNA-induced effective interparticle interactions by measuring themacroscopic and nanoscale compression behaviours as a function of the applied osmotic stress. The force field extracted from experimental data can be well described by a theoretical model that takes into account confinement of DNA chains in the interstitial regions. We show that compression properties of these systems can be tuned via DNA molecular design. C1 [Srivastava, Sunita; Nykypanchuk, Dmytro; Maye, Mathew M.; Tkachenko, Alexei V.; Gang, Oleg] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Maye, Mathew M.] Syracuse Univ, Dept Chem, Syracuse, NY 13244 USA. RP Tkachenko, AV (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM oleksiyt@bnl.gov; ogang@bnl.gov RI Tkachenko, Alexei/I-9040-2012 OI Tkachenko, Alexei/0000-0003-1291-243X FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX We thank C. Stanley and H. Strey for providing concentration-pressure data for PEG (35 kg mol-1). Research carried out at the Center for Functional Nanomaterials and National Synchrotron Light Source, Brookhaven National Laboratory, is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract no. DE-AC02-98CH10886. NR 27 TC 10 Z9 10 U1 2 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 44 BP 10452 EP 10457 DI 10.1039/c3sm51289d PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 243AE UT WOS:000326287700003 ER PT J AU Farina, R Laugel, N Pincus, P Tirrell, M AF Farina, Robert Laugel, Nicolas Pincus, Philip Tirrell, Matthew TI Brushes of strong polyelectrolytes in mixed mono- and tri-valent ionic media at fixed total ionic strengths SO SOFT MATTER LA English DT Article ID AMPHIPHILIC DIBLOCK COPOLYMERS; SELF-ASSEMBLED MONOLAYERS; SURFACE FORCES APPARATUS; POLYMER BRUSHES; RADICAL POLYMERIZATIONS; ADSORPTION MECHANISMS; BLOCK-COPOLYMERS; GOLD SURFACES; MICA; BEHAVIOR AB This paper describes the structure and properties of end-tethered anionic polyelectrolyte brushes containing counterions of tri-valent ruthenium hexamine (Ru(NH3)(6)(3+)) and mono-valent sodium (Na+). Detailed studies of these planar brushes composed of the strong polyelectrolyte, poly(sodium styrenesulfonate), were performed via electrochemical experiments using cyclic voltametry (CV) and surface force experiments using the Surface Forces Apparatus (SFA). A comparison between electrochemical and force measurements provided physical information regarding polyelectrolyte brush height and the population of tri-valent Ru(NH3)(6)(3+) counterions inside a brush. Polyelectrolyte brushes were observed to transform from extended brushes dominated by the presence of mono-valent counterions, to collapsed brushes saturated with tri-valent counterions. This transformation occurred as a result of Ru(NH3)(6)(3+) replacement of Na+ counterions in the polyelectrolyte brushes. This Ru(NH3)(6)(3+) uptake was seen to be limited by either the diffusion of tri-valent ions in low ionic strength solutions or the equilibrium between mono and tri-valent ions at higher fixed ionic strengths. The collapsed state, seen only with brushes dominated by multi-valent counterions, also corresponded to an observed adhesive state between brushes. Adhesion was never seen with exclusively mono-valent ions present in solution. Ru(NH3)(6)(3+) was observed to be released from saturated brushes when placed in a purely mono-valent salt solution of sufficiently high ionic strength. All SFA and CV experiments were performed in solutions of three separate fixed ionic strengths, with brush collapse/saturation occurring more sudden and producing higher adhesion at lower total ionic strength. C1 [Farina, Robert] Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. [Farina, Robert; Laugel, Nicolas; Tirrell, Matthew] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Pincus, Philip] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. [Tirrell, Matthew] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Tirrell, M (reprint author), Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. EM mtirrell@uchicago.edu FU MRSEC Program of the National Science Foundation [DMR05-20415]; Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory; Department of Energy [DE-AC02-05CH11231] FX We would like to thank: Craig Hawker and Benjamin Beck for synthesizing the diblock copolymers used in this paper, Matthias Ballauff and Christian Schneider for highly useful input regarding the behavior of polyelectrolyte brushes in multi-valent salt environments, and Pierre Schaaf for suggesting electrochemical experiments. The UCSB work was given financial support through NSF-DMR-0710521: Materials World Network (M. Tirrell, P. Pincus, PIs) and was partially supported by the MRSEC Program of the National Science Foundation under Award no. DMR05-20415. The work at Berkeley was supported by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under the Department of Energy Contract no. DE-AC02-05CH11231. NR 54 TC 15 Z9 15 U1 1 U2 39 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 44 BP 10458 EP 10472 DI 10.1039/c3sm51450a PG 15 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 243AE UT WOS:000326287700004 ER PT J AU Gang, O Checco, A Hofmann, T Ryu, DY Russell, TP Ocko, BM AF Gang, Oleg Checco, Antonio Hofmann, Tommy Ryu, Du Yeol Russell, Thomas P. Ocko, Benjamin M. TI Liquid adsorption at surfaces patterned with cylindrical nano-cavities SO SOFT MATTER LA English DT Article ID LONG-RANGE FORCES; STRUCTURED SURFACES; TRANSITIONS; WEDGE; ENERGIES; PHASES; VAPOR; FILMS; MELTS; RISE AB We have studied the wetting of thin liquid (perfluoromethylcyclohexane) films on surfaces nano-patterned with hexagonally packed arrays of cylindrical nano-cavities by X-ray scattering methods. The liquid adsorption on the substrate was controlled precisely by varying the chemical potential of the liquid with respect to the value at liquid/vapor coexistence. We have probed the structural evolution of the wetting film inside the cavities and on the planar regions between them. The results are compared with theoretical predictions. C1 [Gang, Oleg] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Checco, Antonio; Ocko, Benjamin M.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Hofmann, Tommy] Helmholtz Zentrum Berlin Mat & Energie GmbH, D-14109 Berlin, Germany. [Ryu, Du Yeol] Yonsei Univ, Dept Chem & Biomol Engn, Seoul 120749, South Korea. [Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. RP Gang, O (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM ogang@bnl.gov; ocko@bnl.gov RI Ryu, Du Yeol/G-8278-2012 FU U.S. DOE Office of Science and Office of Basic Energy Sciences [DE-AC-02- 98CH10886, DE-FG02-96ER45612, DE-AC-02-98CH10886] FX The research was supported by the U.S. DOE Office of Science and Office of Basic Energy Sciences under contract no. DE-AC-02- 98CH10886 and DE-FG02-96ER45612 (DYR, TPR, controlled orientation of BCPs on surfaces and template formation). Work carried out at the National Synchrotron Light Source (X22B) and the Center for Functional Nanomaterials was supported by the U.S. DOE Office of Science and Office of Basic Energy Sciences under contract no. DE-AC-02-98CH10886. We thank Elaine DiMasi for her helpful advice and assistance at NSLS/X9 and Masa Fukuto for productive discussions. NR 49 TC 1 Z9 1 U1 2 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 44 BP 10550 EP 10558 DI 10.1039/c3sm51188j PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 243AE UT WOS:000326287700013 ER PT S AU Qin, YN Jim, G Min, L Yao, YM AF Qin, Yining Jim, Gansemer Min, Liang Yao, Yiming GP IEEE TI Micro Behavior Information Decision Research in An ABM Traffic and Energy Model SO 2013 IEEE GREEN TECHNOLOGIES CONFERENCE SE IEEE Green Technologies Conference LA English DT Proceedings Paper CT IEEE Green Technologies Conference (GREENTECH) CY APR 04-05, 2013 CL Denver, CO SP IEEE, IEEE Comp Soc, Boeing, URS, CCET, IEEE Denver Sect, IEEE Reg 5, IEEE USA DE micro-behavior; autonomic traffic and energy model; information decision; ABM; NetLogo simulation AB Along with rapid economic growth, urban traffic has become a complicated worldwide issue, which synthesizes out-of-order jam, energy consumption and GHG emission. An autonomic traffic and energy model is proposed based on the micro behavior simulation, in which an information decision factor is introduced. Thus the travel patterns and choice of the road trip have been controlled and optimized dynamically. Simulation with NetLogo verifies that the model can realize the optimization among traffic, energy and greenhouse gas emission and some practical use for solving the existing traffic problems. C1 [Qin, Yining; Jim, Gansemer; Min, Liang; Yao, Yiming] Lawrence Livermore Natl Lab, Computat Engn Div, Livermore, CA 94550 USA. RP Qin, YN (reprint author), Lawrence Livermore Natl Lab, Computat Engn Div, Livermore, CA 94550 USA. NR 11 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2166-546X BN 978-0-7695-4966-8 J9 IEEE GREEN TECHNOL PY 2013 BP 22 EP 27 DI 10.1109/GreenTech.2013.87 PG 6 WC Engineering, Electrical & Electronic SC Engineering GA BHL31 UT WOS:000325778400004 ER PT S AU Florita, A Hodge, BM Orwig, K AF Florita, Anthony Hodge, Bri-Mathias Orwig, Kirsten GP IEEE TI Identifying Wind and Solar Ramping Events SO 2013 IEEE GREEN TECHNOLOGIES CONFERENCE SE IEEE Green Technologies Conference LA English DT Proceedings Paper CT IEEE Green Technologies Conference (GREENTECH) CY APR 04-05, 2013 CL Denver, CO SP IEEE, IEEE Comp Soc, Boeing, URS, CCET, IEEE Denver Sect, IEEE Reg 5, IEEE USA DE wind energy; solar energy; forecasting; time series analysis AB Wind and solar power are playing an increasing role in the electrical grid, but their inherent power variability can augment uncertainties in the operation of power systems. One solution to help mitigate the impacts and provide more flexibility is enhanced wind and solar power forecasting; however, its relative utility is also uncertain. Within the variability of solar and wind power, repercussions from large ramping events are of primary concern. At the same time, there is no clear definition of what constitutes a ramping event, with various criteria used in different operational areas. Here, the swinging door algorithm, originally used for data compression in trend logging, is applied to identify variable generation ramping events from historic operational data. The identification of ramps in a simple and automated fashion is a critical task that feeds into a larger work of 1) defining novel metrics for wind and solar power forecasting that attempt to capture the true impact of forecast errors on system operations and economics, and 2) informing various power system models in a data-driven manner for superior exploratory simulation research. Both allow inference on sensitivities and meaningful correlations, as well as quantify the value of probabilistic approaches for future use in practice. C1 [Florita, Anthony; Hodge, Bri-Mathias; Orwig, Kirsten] Natl Renewable Energy Lab, Transmiss & Grid Integrat Grp, Golden, CO 80401 USA. RP Florita, A (reprint author), Natl Renewable Energy Lab, Transmiss & Grid Integrat Grp, Golden, CO 80401 USA. NR 5 TC 7 Z9 7 U1 1 U2 6 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2166-546X BN 978-0-7695-4966-8 J9 IEEE GREEN TECHNOL PY 2013 BP 147 EP 152 DI 10.1109/GreenTech.2013.30 PG 6 WC Engineering, Electrical & Electronic SC Engineering GA BHL31 UT WOS:000325778400022 ER PT S AU Bank, J Mather, B AF Bank, Jason Mather, Barry GP IEEE TI Analysis of the Impacts of Distribution Connected PV Using High-Speed Datasets SO 2013 IEEE GREEN TECHNOLOGIES CONFERENCE SE IEEE Green Technologies Conference LA English DT Proceedings Paper CT IEEE Green Technologies Conference (GREENTECH) CY APR 04-05, 2013 CL Denver, CO SP IEEE, IEEE Comp Soc, Boeing, URS, CCET, IEEE Denver Sect, IEEE Reg 5, IEEE USA AB High penetrations of distribution connected photovoltaic (PV) systems are becoming more common. However, the impact of these variable generators on system voltage and automatic voltage regulation equipment is not well quantified. In contrast to load which generally has some diversity, PV systems are often non-diverse over small geographic areas. Variability caused by PV can range from relatively slow changes in system voltage to high frequency impacts on real and reactive power. These changes have the ability to impact the operation of a distribution circuit from a protection, voltage control and load prediction/modeling point of view. This paper utilizes information from high resolution data acquisition systems developed at the National Renewable Energy Laboratory and deployed on a high-penetration PV distribution system to analyze the variability of different electrical parameters. High resolution solar irradiance data is also available in the same area which is used to characterize the available resource and how it affects the electrical characteristics of the study circuit. This paper takes a data-driven look at the variability caused by load and compares those results against times when significant PV production is present. Comparisons between the variability in system load and the variability of distributed PV generation are made. Additionally, the potential impacts of high-penetration PV on voltage regulation equipment such as capacitor banks and load tap changing transformers are quantified. C1 [Bank, Jason; Mather, Barry] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Bank, J (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM jason.bank@nrel.gov; barry.mather@nrel.gov NR 10 TC 2 Z9 2 U1 0 U2 4 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2166-546X BN 978-0-7695-4966-8 J9 IEEE GREEN TECHNOL PY 2013 BP 153 EP 159 DI 10.1109/GreenTech.2013.31 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA BHL31 UT WOS:000325778400023 ER PT S AU Lundstrom, B Shirazi, M Coddington, M Kroposki, B AF Lundstrom, Blake Shirazi, Mariko Coddington, Michael Kroposki, Benjamin GP IEEE TI An Advanced Platform for Development and Evaluation of Grid Interconnection Systems Using Hardware-in-the-Loop: Part III-Grid Interconnection System Evaluator SO 2013 IEEE GREEN TECHNOLOGIES CONFERENCE SE IEEE Green Technologies Conference LA English DT Proceedings Paper CT IEEE Green Technologies Conference (GREENTECH) CY APR 04-05, 2013 CL Denver, CO SP IEEE, IEEE Comp Soc, Boeing, URS, CCET, IEEE Denver Sect, IEEE Reg 5, IEEE USA DE distributed energy resources; grid interconnection; hardware-in-the-loop (HIL); IEEE Std 1547 (TM); interconnection standards AB The world's energy paradigm continues to undergo a rapid shift towards an increased use of renewable energy sources. To support this shift, an advanced electric power system architecture is being implemented by many electric utilities, interconnected with new distributed energy resources. As these new installations occur, it is essential to verify that their grid interconnection systems (ICS) conform to the relevant grid interconnection standards and that they perform satisfactorily under a variety of variable resource input and grid output conditions. This paper describes a Grid Interconnection System Evaluator (GISE) that leverages hardware-in-the-loop (HIL) simulation techniques to rapidly evaluate the grid interconnection standard conformance of an ICS according to the procedures in IEEE Std 1547.1 (TM). The architecture and test sequencing of this evaluation tool, along with a set of representative ICS test results from three different photovoltaic (PV) inverters, are presented. The GISE adds to the National Renewable Energy Laboratory's (NREL) evaluation platform that now allows for rapid development of ICS control algorithms using controller HIL (CHIL) techniques, the ability to test the dc input characteristics of PV-based ICSs through the use of a PV simulator capable of simulating real-world dynamics using power HIL (PHIL), and evaluation of the grid interconnection conformance of an ICS. C1 [Lundstrom, Blake; Shirazi, Mariko; Coddington, Michael; Kroposki, Benjamin] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Lundstrom, B (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM blake.lundstrom@nrel.gov NR 16 TC 1 Z9 1 U1 0 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2166-546X BN 978-0-7695-4966-8 J9 IEEE GREEN TECHNOL PY 2013 BP 392 EP 399 DI 10.1109/GreenTech.2013.67 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA BHL31 UT WOS:000325778400057 ER PT S AU Hodge, BM Lew, D Milligan, M AF Hodge, Bri-Mathias Lew, Debra Milligan, Michael GP IEEE TI Short-Term Load Forecasting Error Distributions and Implications for Renewable Integration Studies SO 2013 IEEE GREEN TECHNOLOGIES CONFERENCE SE IEEE Green Technologies Conference LA English DT Proceedings Paper CT IEEE Green Technologies Conference (GREENTECH) CY APR 04-05, 2013 CL Denver, CO SP IEEE, IEEE Comp Soc, Boeing, URS, CCET, IEEE Denver Sect, IEEE Reg 5, IEEE USA DE forecasting; load modeling; power system analysis computing; statistical distributions ID SYSTEMS AB Load forecasting at the day-ahead timescale is a critical aspect of power system operations in the unit commitment process. It is also an important factor in renewable energy integration studies, where the combination of load and wind or solar forecasting techniques create the net load uncertainty that must be managed by the economic dispatch process or with suitable reserves. An understanding of the load forecasting errors that may occur in this process can lead to better decisions about the amount of reserves necessary to compensate for the errors that do occur. In this work, we performed a statistical analysis of the day-ahead (and two-day-ahead) load forecasting errors observed in two independent system operators for a one-year period. Comparisons were made with the normal distribution commonly assumed in power system operation simulations used for renewable power integration studies. Further analysis identified time periods when the load is more likely to be under-or overforecast. C1 [Hodge, Bri-Mathias; Lew, Debra; Milligan, Michael] Natl Renewable Energy Lab, Golden, CO 80020 USA. RP Hodge, BM (reprint author), Natl Renewable Energy Lab, Golden, CO 80020 USA. EM bri-mathias.hodge@nrel.gov; debra.lew@nrel.gov; michael.milligan@nrel.gov NR 16 TC 4 Z9 4 U1 1 U2 7 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2166-546X BN 978-0-7695-4966-8 J9 IEEE GREEN TECHNOL PY 2013 BP 435 EP 442 DI 10.1109/GreenTech.2013.73 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA BHL31 UT WOS:000325778400063 ER PT B AU Yin, J Sharma, P Gorton, I Akyol, B AF Yin, Jian Sharma, Poorva Gorton, Ian Akyol, Bora GP IEEE TI Large-Scale Data Challenges in Future Power Grids SO 2013 IEEE SEVENTH INTERNATIONAL SYMPOSIUM ON SERVICE-ORIENTED SYSTEM ENGINEERING (SOSE 2013) LA English DT Proceedings Paper CT IEEE 7th International Symposium on Service-Oriented System Engineering (SOSE) CY MAR 25-28, 2013 CL Redwood City, CA SP IEEE, IEEE Comp Soc ID INFRASTRUCTURE; SERVICES AB This paper describes technical challenges in supporting large-scale real-time data analysis for future power grid systems and discusses various design options to address these challenges. Even though the existing U. S. power grid has served the nation remarkably well over the last 120 years, big changes are in the horizon. The widespread deployment of renewable generation, smart grid controls, energy storage, plug-in hybrids, and new conducting materials will require fundamental changes in the operational concepts and principal components. The whole system becomes highly dynamic and needs constant adjustments based on real time data. Even though millions of sensors such as phase measurement units (PMUs) and smart meters are being widely deployed, a data layer that can support this amount of data in real time is needed. Unlike the data fabric in cloud services, the data layer for smart grids must address some unique challenges. This layer must be scalable to support millions of sensors and a large number of diverse applications and still provide real time guarantees. Moreover, the system needs to be highly reliable and highly secure because the power grid is a critical piece of infrastructure. No existing systems can satisfy all the requirements at the same time. We examine various design options. In particular, we explore the special characteristics of power grid data to meet both scalability and quality of service requirements. Our initial prototype can improve performance by orders of magnitude over existing general-purpose systems. The prototype was demonstrated with several use cases from PNNL's FPGI and was shown to be able to integrate huge amount of data from a large number of sensors and a diverse set of applications. C1 [Yin, Jian; Sharma, Poorva; Gorton, Ian; Akyol, Bora] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Yin, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jian.yin@pnnl.gov; poorva.sharma@pnnl.gov; ian.gorton@pnnl.gov; bora@pnnl.gov NR 19 TC 6 Z9 6 U1 0 U2 9 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-0-7695-4944-6; 978-1-4673-5659-6 PY 2013 BP 324 EP 328 DI 10.1109/SOSE.2013.71 PG 5 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHK50 UT WOS:000325717400038 ER PT J AU Louis, WC AF Louis, W. C. TI Evidence and Search for Sterile Neutrinos at Accelerators SO ADVANCES IN HIGH ENERGY PHYSICS LA English DT Review ID LSND EXPERIMENT; OSCILLATIONS; DETECTOR; FACILITY AB The LSND short-baseline neutrino experiment has published evidence for antineutrino oscillations at a mass scale of similar to 1 eV(2). The MiniBooNE experiment, designed to test this evidence for oscillations at an order of magnitude higher neutrino energy and distance, observes excesses of events in both neutrino mode and antineutrino mode. While the MiniBooNE neutrino excess has a neutrino energy spectrum that is softer than expected from LSND, the MiniBooNE antineutrino excess is consistent with neutrino oscillations and with the LSND oscillation signal. When combined with oscillation measurements at the solar and atmospheric mass scales, assuming that the LSND and MiniBooNE signals are due to neutrino oscillations, these experiments imply the existence of more than three neutrino mass states and, therefore, one or more sterile neutrinos. Such sterile neutrinos, if proven to exist, would have a big impact on particle physics, nuclear physics, and astrophysics and would contribute to the dark matter of the universe. Future experiments under construction or proposed at Fermilab, ORNL, CERN, and in Japan will provide a definitive test of short-baseline neutrino oscillations and will have the capability of proving the existence of sterile neutrinos. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Louis, WC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM louis@lanl.gov OI Louis, William/0000-0002-7579-3709 FU Department of Energy FX The author thanks the Department of Energy for support. This work was made possible by the dedicated efforts of the LSND and MiniBooNE collaborations. NR 40 TC 0 Z9 0 U1 0 U2 2 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 315 MADISON AVE 3RD FLR, STE 3070, NEW YORK, NY 10017 USA SN 1687-7357 EI 1687-7365 J9 ADV HIGH ENERGY PHYS JI Adv. High. Energy Phys. PY 2013 AR 439532 DI 10.1155/2013/439532 PG 14 WC Physics, Particles & Fields SC Physics GA 237MX UT WOS:000325875600001 ER PT J AU Morales-Verdejo, CA Newsom, MI Cohen, BW Vibbert, HB Hopkins, MD AF Morales-Verdejo, Cesar A. Newsom, Michael I. Cohen, Brian W. Vibbert, Hunter B. Hopkins, Michael D. TI Dihydrogen activation by a tungsten-alkylidyne complex: toward photoredox chromophores that deliver renewable reducing equivalents SO CHEMICAL COMMUNICATIONS LA English DT Article ID ALPHA-HYDRIDE ELIMINATION; METAL-CARBON BONDS; ARTIFICIAL PHOTOSYNTHESIS; BENZYLIDYNE COMPLEXES; PHOTOCATALYSIS; METHYLIDYNE; METHYLENE; MECHANISM; HYDROGEN; STATE AB The d(1) tungsten-alkylidyne radical [W(CPh)(dppe)(2)Cl](+) reacts with H-2 to give the d(0) hydride [W(CPh)(H)(dppe)(2)Cl](+), which on deprotonation yields the d(2) photoredox chromophore W(CPh)(dppe)(2)Cl. This family of reactions results in a cycle by which renewable H-2 provides the reducing equivalents for photochemical reductions. C1 [Morales-Verdejo, Cesar A.; Hopkins, Michael D.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Newsom, Michael I.; Cohen, Brian W.; Vibbert, Hunter B.; Hopkins, Michael D.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. RP Morales-Verdejo, CA (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. EM mhopkins@uchicago.edu FU U.S. Department of Energy, Office of Basic Energy Sciences, Solar Photochemistry Program [DE-FG02-07-ER15910]; Chemical Sciences and Engineering Division at Argonne FX We are grateful to Prof. Juan Manriquez and Drs Marc Johnson and Elizabeth Mader for helpful discussions, Dr Ian Steele for performing the X-ray crystallographic study, and Dan O'Hanlon for performing the DFT calculation. Research at The University of Chicago was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Solar Photochemistry Program, under Grant DE-FG02-07-ER15910. Research at Argonne National Laboratory was supported by the Chemical Sciences and Engineering Division at Argonne. NR 27 TC 2 Z9 2 U1 1 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 90 BP 10566 EP 10568 DI 10.1039/c3cc45606d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 238JK UT WOS:000325942200003 PM 24013856 ER PT J AU Li, Q Xu, P Zhang, B Tsai, HH Wang, J Wang, HL Wu, G AF Li, Qing Xu, Ping Zhang, Bin Tsai, Hsinhan Wang, Jian Wang, Hsing-Lin Wu, Gang TI One-step synthesis of Mn3O4/reduced graphene oxide nanocomposites for oxygen reduction in nonaqueous Li-O-2 batteries SO CHEMICAL COMMUNICATIONS LA English DT Article ID CATALYST; HYBRID; CATHODES AB A Li-O-2 battery based on the Mn3O4/RGO nanocomposite ( monodispersed Mn3O4 nanoparticles supported on RGO) cathode exhibits excellent ORR activity and an outstanding initial discharge capacity as high as 16 000 mA h g(-1). C1 [Li, Qing; Xu, Ping; Zhang, Bin] Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China. [Li, Qing; Wang, Jian; Wu, Gang] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Xu, Ping; Tsai, Hsinhan; Wang, Hsing-Lin] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Xu, P (reprint author), Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China. EM pxu@hit.edu.cn; hwang@lanl.gov; wugang@lanl.gov RI Wu, Gang/E-8536-2010; Li, Qing/G-4502-2011; Xu, Ping/I-1910-2013; Wang, Jian/F-2669-2012 OI Wu, Gang/0000-0003-4956-5208; Li, Qing/0000-0003-4807-030X; Xu, Ping/0000-0002-1516-4986; Wang, Jian/0000-0001-5130-300X FU NSFC [21203045, 21101041]; Fundamental Research Funds for the Central Universities [2010065, 2011017, 201223]; Laboratory Directed Research and Development (LDRD); DOE; Basic Energy Science (BES); Biomolecular Materials Program, Materials Sciences and Engineering Division FX We acknowledge financial support from NSFC (No. 21203045, 21101041), Fundamental Research Funds for the Central Universities (No. HIT. NSRIF. 2010065 and 2011017, and HIT. BRETIII. 201223), the Laboratory Directed Research and Development (LDRD) fund under the auspices of DOE. Synthesis and characterization of nanoparticles were supported by Basic Energy Science (BES), Biomolecular Materials Program, Materials Sciences and Engineering Division. NR 20 TC 46 Z9 47 U1 4 U2 128 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 92 BP 10838 EP 10840 DI 10.1039/c3cc46441e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 242EF UT WOS:000326219500022 PM 24121595 ER PT J AU Zhou, GW Luo, LL Li, L Ciston, J Stach, EA Saidi, WA Yang, JC AF Zhou, Guangwen Luo, Langli Li, Liang Ciston, Jim Stach, Eric A. Saidi, Wissam A. Yang, Judith C. TI In situ atomic-scale visualization of oxide islanding during oxidation of Cu surfaces SO CHEMICAL COMMUNICATIONS LA English DT Article ID ELECTRON-MICROSCOPY; THIN-FILMS; NUCLEATION; CU(001); KINETICS; METALS; COPPER; OXYGEN AB Oxidation of Cu occurs via Cu2O islanding on an oxide wetting layer at a critical thickness of two atomic layers. The transition from 2D wetting-layer growth to 3D oxide islanding is driven energetically arising from the Cu-Cu2O interfacial interaction. C1 [Zhou, Guangwen; Luo, Langli; Li, Liang] SUNY Binghamton, Dept Mech Engn, Binghamton, NY 13902 USA. [Ciston, Jim] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Saidi, Wissam A.; Yang, Judith C.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. RP Zhou, GW (reprint author), SUNY Binghamton, Dept Mech Engn, Binghamton, NY 13902 USA. EM gzhou@binghamton.edu RI Stach, Eric/D-8545-2011; Li, Liang/C-5782-2012; Foundry, Molecular/G-9968-2014; Luo, Langli/B-5239-2013; OI Stach, Eric/0000-0002-3366-2153; Li, Liang/0000-0002-6739-5022; Luo, Langli/0000-0002-6311-051X FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-FG02-09ER46600]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; National Science Foundation [OCI-105375] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Award No. DE-FG02-09ER46600. The research was 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. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number OCI-105375. NR 22 TC 15 Z9 15 U1 3 U2 41 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 92 BP 10862 EP 10864 DI 10.1039/c3cc46684a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 242EF UT WOS:000326219500030 PM 24126296 ER PT J AU Weck, PF Kim, E Czerwinski, KR AF Weck, Philippe F. Kim, Eunja Czerwinski, Kenneth R. TI Semiconducting layered technetium dichalcogenides: insights from first-principles SO DALTON TRANSACTIONS LA English DT Article ID FULLERENE-LIKE STRUCTURES; AUGMENTED-WAVE METHOD; ACTIVE EDGE SITES; MOS2 TRANSISTORS; IMMOBILIZATION; TRANSITION; EVOLUTION; MOBILITY; SULFIDE; RHENIUM AB The structures and properties of layered technetium dichalcogenides TcX2 (X = S, Se, Te) have been investigated using density functional theory. The equilibrium structures of TcSe2 and TcTe2, adopting distorted Cd(OH)(2)-type unit cells similar to TcS2, are reported for the first time at the atomic level, along with their electronic properties. In contrast to previous X-ray diffraction analyses, calculations reveal that stoichiometric TcTe2 is not isomorphous to the high-temperature monoclinic phase beta-MoTe2. All three compounds are found to be semiconductors with calculated band gaps of 0.9 eV for TcS2, 0.8 eV for TcSe2, and 0.3 eV for TcTe2. The thermal properties of these TcX2 compounds have also been predicted using phonon frequencies calculated with density functional perturbation theory. C1 [Weck, Philippe F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Kim, Eunja] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. [Czerwinski, Kenneth R.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. RP Weck, PF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pfweck@sandia.gov OI , Philippe/0000-0002-7610-2893 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. Department of Energy, SISGR-Fundamental Chemistry of Technetium-99 Incorporated into Metal Oxide, Phosphate and Sulfide: Toward Stabilization of Low-Valent Technetium [47824B] 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 U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This project was also funded under the auspices of the U.S. Department of Energy, SISGR-Fundamental Chemistry of Technetium-99 Incorporated into Metal Oxide, Phosphate and Sulfide: Toward Stabilization of Low-Valent Technetium (Contract no. 47824B). NR 42 TC 8 Z9 8 U1 4 U2 45 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 EI 1477-9234 J9 DALTON T JI Dalton Trans. PY 2013 VL 42 IS 43 BP 15288 EP 15295 DI 10.1039/c3dt51903a PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 238KB UT WOS:000325944000008 PM 24030159 ER PT J AU Lux, SF Chevalier, J Lucas, IT Kostecki, R AF Lux, Simon Franz Chevalier, Julie Lucas, Ivan T. Kostecki, Robert TI HF Formation in LiPF6-Based Organic Carbonate Electrolytes SO ECS ELECTROCHEMISTRY LETTERS LA English DT Article ID ION BATTERY ELECTROLYTE; RECHARGEABLE BATTERIES; LITHIUM; TEMPERATURE; PERFORMANCE; HYDROLYSIS; CHEMISTRY; ANODES; LIPF6 AB HF concentration and generation rate in organic LiPF6-based carbonate electrolytes at 60 degrees C was studied. Various compositions of linear and cyclic carbonates were used to determine the electrolyte degradation mechanism. Diethyl carbonate (DEC) has been identified as a promoter of HF formation, yielding 1 mmol/L of HF in 1 mol/L LiPF6 DEC after 200 hours at 60 degrees C. Prolonged aging of 1 mol/L LiPF6, EC:DEC electrolyte at room temperature results in a significantly lower HF formation rate with time. Spiking the aged electrolyte with 500 ppm of water restores the HF formation rate to a level typical for a freshly prepared electrolyte. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Lux, Simon Franz; Chevalier, Julie; Lucas, Ivan T.; Kostecki, Robert] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Lux, SF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM rkostecki@lbl.gov RI LUCAS, Ivan /S-5742-2016 OI LUCAS, Ivan /0000-0001-8930-0437 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231] FX The work was carried out under the sponsorship of 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. The authors thank the MEET Battery Research Center at the University of Muenster, Germany and Prof. Martin Winter for kindly providing the SiO2/Si wafers. NR 18 TC 26 Z9 26 U1 9 U2 40 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 2162-8726 EI 2162-8734 J9 ECS ELECTROCHEM LETT JI ECS Electrochem. Lett. PY 2013 VL 2 IS 12 BP A121 EP A123 DI 10.1149/2.005312eel PG 3 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 240KL UT WOS:000326094600003 ER PT J AU Chen, JH Alonzo, J Yu, X Hong, KL Messman, JM Ivanov, I Lavrik, NV Banerjee, M Rathore, R Sun, ZZ Li, DW Mays, JW Sumpter, BG Kilbey, SM AF Chen, Jihua Alonzo, Jose Yu, Xiang Hong, Kunlun Messman, Jamie M. Ivanov, Ilia Lavrik, Nickolay V. Banerjee, Moloy Rathore, Rajendra Sun, Zhenzhong Li, Dawen Mays, Jimmy W. Sumpter, Bobby G. Kilbey, S. Michael, II TI Grafting density effects, optoelectrical properties and nano-patterning of poly(para-phenylene) brushes SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID CATALYST-TRANSFER POLYCONDENSATION; POLYMER SOLAR-CELLS; OPTICAL-PROPERTIES; CONJUGATED POLYMERS; POLY(P-PHENYLENE); POLY(3-ALKYLTHIOPHENES); POLY(3-METHYLTHIOPHENE); POLYPARAPHENYLENE; MACROMOLECULES; POLYACETYLENE AB Well-defined conjugated polymers in confined geometries are challenging to synthesize and characterize, yet they are potentially useful in a broad range of organic optoelectronic devices such as transistors, light emitting diodes, solar cells, sensors, and nanocircuits. Herein we report a systematic study of optoelectrical properties, grafting density effects, and nanopatterning of a model, end-tethered conjugated polymer system. Specifically, poly(para-phenylene) (PPP) brushes of various grafting density are created in situ by aromatizing well-defined, end-tethered poly(1,3-cyclohexadiene) (PCHD) "precursor brushes". This novel precursor brush approach provides a convenient way to make and systematically control the grafting density of high molecular weight conjugated polymer brushes that would otherwise be insoluble. This allows us to examine how grafting density impacts the effective conjugation length of the conjugated PPP brushes and to adapt the fabrication method to develop spatially patterned conjugated brush systems, which is important for practical applications of conjugated polymer brushes. C1 [Chen, Jihua; Alonzo, Jose; Hong, Kunlun; Messman, Jamie M.; Ivanov, Ilia; Lavrik, Nickolay V.; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Yu, Xiang; Mays, Jimmy W.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Banerjee, Moloy; Rathore, Rajendra] Marquette Univ, Dept Chem, Milwaukee, WI 53201 USA. [Sun, Zhenzhong; Li, Dawen] Univ Alabama, Dept Elect & Comp Engn, Tuscaloosa, AL 35487 USA. [Mays, Jimmy W.; Kilbey, S. Michael, II] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Kilbey, S. Michael, II] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. RP Chen, JH (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM chenj1@ornl.gov; mkilbey@utk.edu RI Chen, Jihua/F-1417-2011; ivanov, ilia/D-3402-2015; Lavrik, Nickolay/B-5268-2011; Sumpter, Bobby/C-9459-2013; Hong, Kunlun/E-9787-2015 OI Chen, Jihua/0000-0001-6879-5936; ivanov, ilia/0000-0002-6726-2502; Lavrik, Nickolay/0000-0002-9543-5634; Sumpter, Bobby/0000-0001-6341-0355; Hong, Kunlun/0000-0002-2852-5111 FU DOE Laboratory Directed Research and Development award program; NSF [ECCS-1151140]; U.S. Army Research Office [W911NF-11-1-0417]; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE) FX Initial aspects of this work focused on synthesis and layer assembly were supported through the DOE Laboratory Directed Research and Development award program. A portion of the research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). D. L. acknowledges partial support from NSF (award #ECCS-1151140). SMK and JWM acknowledge support from the U.S. Army Research Office through Grant no. W911NF-11-1-0417. NR 46 TC 2 Z9 2 U1 0 U2 37 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 EI 2050-7496 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 43 BP 13426 EP 13432 DI 10.1039/c3ta12745a PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 238ZU UT WOS:000325991700007 ER PT J AU Sluiter, A Wolfrum, E AF Sluiter, Amie Wolfrum, Ed TI Near infrared calibration models for pretreated corn stover slurry solids, isolated and in situ SO JOURNAL OF NEAR INFRARED SPECTROSCOPY LA English DT Article DE near infrared; NIR (near infrared); biomass; biofuels; slurry; corn stover; pretreatment; rapid analysis; calibration model ID LIGNOCELLULOSIC BIOMASS; COMPOSITIONAL ANALYSIS; ETHANOL-PRODUCTION; SPECTROSCOPY; HYDROLYSIS; FEEDSTOCKS AB Biomass pretreatment processes often yield slurry, a two-phase material consisting of an aqueous phase with solubilised components and a solid phase with insoluble constituents. Chemical characterisation of this material using conventional wet chemical analysis requires that the two phases be analysed separately. We have previously demonstrated near infrared (NIR) models that successfully predict the chemical composition of the solid phase after separation, washing and drying. In this work, we present the current version of this calibration model, as well as a model that uses spectra of the whole slurry samples (without separation) to predict the solids composition in situ. Removing the slurry solid/liquid separation step saves Large amounts of time and effort during analysis. The model using washed and dried solids provided predicted vs measured correlation coefficient (R-2) values of 0.97, 0.99 and 0.98 and root mean square error of calibration (RMSEC) values of 1.5, 0.8 and 0.8 dry weight percent for glucan, xylan and lignin, respectively. These RMSEC values are similar to established wet chemical analysis uncertainties. Validation samples also showed similar uncertainties and an average r(2) value of 0.98 for the major constituents. The whole slurry model provided R-2 values of 0.93, 0.93 and 0.95 and RMSEC values of 2.3, 1.7 and 1.0 dry weight percent for glucan, xylan and lignin, respectively. The RMSEC values are larger than established wet chemical analysis uncertainties. Validation samples showed uncertainties and r(2) values that were not statistically significantly different (p=0.05) from calibration model values for glucan, xylan, and lignin. The slurry model was not equivalent to the washed and dried pretreated solids model, with relative increases in RMSEC values of 20%-50% for major constituents. However, the model was highly successful for the intended purpose, which was to predict the composition of samples without the significant added effort of separating, washing and drying solids prior to scanning. C1 [Sluiter, Amie; Wolfrum, Ed] Natl Renewable Energy Lab, Golden, CO USA. RP Sluiter, A (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO USA. EM amie.sluiter@nrel.gov OI Wolfrum, Edward/0000-0002-7361-8931 FU US Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory; USDOE Office of Energy Efficiency and Renewable Energy's BioEnergy Technologies Office FX This work was supported by the US Department of Energy under contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. Funding provided by USDOE Office of Energy Efficiency and Renewable Energy's BioEnergy Technologies Office. Special thanks to Stefanie Maletich and Michelle Reed for sample preparation and scanning. Thanks to Justin Sluiter and Courtney Payne for multiple manuscript reviews. NR 31 TC 4 Z9 4 U1 4 U2 9 PU N I R PUBLICATIONS PI CHICHESTER PA 6 CHARLTON MILL, CHARLTON, CHICHESTER PO18 0HY, WEST SUSSEX, ENGLAND SN 0967-0335 J9 J NEAR INFRARED SPEC JI J. Near Infrared Spectrosc. PY 2013 VL 21 IS 4 BP 249 EP 257 DI 10.1255/jnirs.1065 PG 9 WC Chemistry, Applied; Spectroscopy SC Chemistry; Spectroscopy GA 242RB UT WOS:000326258600003 ER PT J AU Robison, G Zakharova, T Fu, S Jiang, WD Fulper, R Barrea, R Zheng, W Pushkar, Y AF Robison, Gregory Zakharova, Taisiya Fu, Sherleen Jiang, Wendy Fulper, Rachael Barrea, Raul Zheng, Wei Pushkar, Yulia TI X-ray fluorescence imaging of the hippocampal formation after manganese exposure SO METALLOMICS LA English DT Article ID MAMMALIAN ZINC TRANSPORTERS; CHRONIC LIVER-FAILURE; MOUSE-BRAIN; PARKINSONS-DISEASE; GLUTAMINE-SYNTHETASE; SYNAPTIC VESICLES; ENHANCED MRI; BASAL GANGLIA; PYRUVATE-CARBOXYLASE; IRON-DEFICIENCY AB Manganese (Mn) intoxication results in neurological conditions similar, but not identical, to idiopathic Parkinson's disease. While the mechanism(s) by which Mn exposure leads to neurotoxic effects remains unclear, studies by magnetic resonance imaging demonstrate a high Mn accumulation in the hippocampal formation (HPCf) of the brain. Metal quantification using this method is not possible. Using X-ray fluorescence imaging, we measured the distribution of Mn in the HPCf for a rodent model of chronic Mn exposure and quantitatively compared it with distributions of other biologically relevant metals. We found considerable increases in average Mn concentrations in all analyzed areas and we identified the dentate gyrus (DG) and the cornus ammonis 3 (CA3) layer as areas accumulating the highest Mn content (similar to 1.2 mu g Mn per g tissue). The DG is significantly enriched with iron (Fe), while the CA3 layer has high zinc (Zn) content. Additionally, significant spatial correlations were found for Mn-Zn concentrations across the HPCf substructures and for Mn-Fe concentrations in the DG. Combined results support that at least two mechanisms may be responsible for Mn transport and/or storage in the brain, associated with either Fe or Zn. Subcellular resolution images of metal distribution in cells of the CA3 show diffuse Mn distributions consistent with Mn localization in both the cytoplasm and nucleus. Mn was not increased in localized intracellular Fe or copper accumulations. A consistent Mn-Zn correlation both at the tissue (40 mu m x 40 mu m) and cellular (0.3 mu m x 0.3 mu m) levels suggests that a Zn transport/storage mechanism in the HPCf is likely associated with Mn accumulation. C1 [Robison, Gregory; Zakharova, Taisiya; Fulper, Rachael; Pushkar, Yulia] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. [Fu, Sherleen; Jiang, Wendy; Zheng, Wei] Purdue Univ, Sch Hlth Sci, W Lafayette, IN 47907 USA. [Barrea, Raul] Depaul Univ, Dept Phys, Chicago, IL 60614 USA. [Barrea, Raul] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60437 USA. RP Pushkar, Y (reprint author), Purdue Univ, Dept Phys, 525 Northwestern Ave, W Lafayette, IN 47907 USA. EM ypushkar@purdue.edu RI ID, BioCAT/D-2459-2012; Robison, Gregory/D-7940-2013 OI Robison, Gregory/0000-0002-6513-4291 FU U.S. DOE [DE-AC02-06CH11357]; NIH/National Institute of Environmental Health Sciences [R01 ES008146-14]; Purdue startup funds FX We thank Dr Barry Lai for his assistance in operating the Sector 2-ID-D beamline and Dr Stefan Vogt for his help in using the MAPS program. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. BioCAT is a National Institutes of Health-supported Research Center RR-08630. This study was supported by NIH/National Institute of Environmental Health Sciences (Grant Numbers R01 ES008146-14), and by Purdue startup funds. NR 113 TC 8 Z9 8 U1 3 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1756-5901 EI 1756-591X J9 METALLOMICS JI Metallomics PY 2013 VL 5 IS 11 BP 1554 EP 1565 DI 10.1039/c3mt00133d PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 242MC UT WOS:000326245100011 PM 23999853 ER PT J AU Tian, CC Oyola, Y Nelson, KM Chai, SH Zhu, X Bauer, JC Janke, CJ Brown, S Guo, YL Dai, S AF Tian, Chengcheng Oyola, Yatsandra Nelson, Kimberly M. Chai, Song-Hai Zhu, Xiang Bauer, J. Chris Janke, Christopher J. Brown, Suree Guo, Yanglong Dai, Sheng TI A renewable HSO3/H2PO3-grafted polyethylene fiber catalyst: an efficient heterogeneous catalyst for the synthesis of 5-hydroxymethylfurfural from fructose in water SO RSC ADVANCES LA English DT Article ID SOLID-ACID; DEHYDRATION; SURFACE; CONVERSION AB Irradiation-induced co-grafting of acrylonitrile and vinylsulfonic acid (or vinylphosphonic acid) monomers on polyethylene fiber was studied for the heterogeneous catalysis of fructose dehydration into 5-hydroxymethylfurfural (HMF) solely in water. The acidic co-polymer exhibited excellent catalytic activity and maintained a high yield after being regenerated. We attribute these catalytic properties to a branched environment created by grafted chains, hydrophilic enough to interact with fructose in water but collectively dense enough to form a unique local phase mimicking organic solvents. C1 [Tian, Chengcheng; Zhu, Xiang; Guo, Yanglong] E China Univ Sci & Technol, Res Inst Ind Catalysis, Key Lab Adv Mat, Shanghai 200237, Peoples R China. [Tian, Chengcheng; Oyola, Yatsandra; Chai, Song-Hai; Zhu, Xiang; Bauer, J. Chris; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Nelson, Kimberly M.; Brown, Suree] Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA. [Janke, Christopher J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Guo, YL (reprint author), E China Univ Sci & Technol, Res Inst Ind Catalysis, Key Lab Adv Mat, Shanghai 200237, Peoples R China. EM oyolay@ornl.gov; ylguo@ecust.edu.cn; dais@ornl.gov RI Chai, Song-Hai/A-9299-2012; Zhu, Xiang/P-6867-2014; Dai, Sheng/K-8411-2015; Janke, Christopher/E-1598-2017 OI Chai, Song-Hai/0000-0002-4152-2513; Zhu, Xiang/0000-0002-3973-4998; Dai, Sheng/0000-0002-8046-3931; Janke, Christopher/0000-0002-6076-7188 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy; National Basic Research Program of China [2010CB732300]; Program for New Century Excellent Talents in University [NCET-09-0343]; Shu Guang Project [10SG30]; 111 Project [B08021] FX The research was supported financially by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy. CCT and YLG also thank the National Basic Research Program of China (2010CB732300), Program for New Century Excellent Talents in University (NCET-09-0343), the Shu Guang Project (10SG30), and 111 Project (B08021). NR 30 TC 8 Z9 9 U1 3 U2 38 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 44 BP 21242 EP 21246 DI 10.1039/c3ra43275k PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 239WM UT WOS:000326056600009 ER PT J AU Saito, T Perkins, JH Jackson, DC Trammel, NE Hunt, MA Naskar, AK AF Saito, Tomonori Perkins, Joshua H. Jackson, Daniel C. Trammel, Neil E. Hunt, Marcus A. Naskar, Amit K. TI Development of lignin-based polyurethane thermoplastics SO RSC ADVANCES LA English DT Article ID STRUCTURE PROPERTY RELATIONSHIPS; FRACTIONATED ORGANOSOLV LIGNINS; SEQUENTIAL SOLVENT-EXTRACTION; ENGINEERING PLASTICS; KRAFT LIGNIN; MOLECULAR-WEIGHT; FILM PROPERTIES; MULTIPHASE MATERIALS; CONTROLLED-RELEASE; ALCELL(R) LIGNIN AB Here we report utilizing a tailored feedstock to synthesize mechanically robust thermoplastic polyurethanes at very high lignin contents (65-75wt%). The molecular weight and glass transition temperature (T-g) of lignin were altered through cross-linking with formaldehyde. The cross-linked lignin was coupled with diisocyanate-based telechelic polybutadiene as a network-forming soft segment. The appearance of two T-g's, around -35 and 154 degrees C, for the polyurethanes indicates the existence of two-phase morphology, a characteristic of thermoplastic copolymers. A calculated Flory-Huggins interaction parameter of 7.71 also suggests phase immiscibility in the synthesized lignin polyurethanes. An increase in lignin loading increased the modulus, and an increase in crosslink-density increased the modulus in the rubbery plateau region of the thermoplastic. This path for synthesis of novel lignin-based polyurethane thermoplastics provides a design tool for high performance lignin-based biopolymers. C1 [Saito, Tomonori] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Perkins, Joshua H.; Jackson, Daniel C.; Trammel, Neil E.; Hunt, Marcus A.; Naskar, Amit K.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Polymer Matrix Composites Grp, Oak Ridge, TN 37831 USA. RP Saito, T (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM naskarak@ornl.gov RI Saito, Tomonori/M-1735-2016 OI Saito, Tomonori/0000-0002-4536-7530 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; U.S. Department of Energy; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office [DE-AC05-00OR22725]; Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy FX This research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. J.H.P. acknowledges support by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. Part of the polymer characterization was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy. Authors also thank Cray Valley for providing polybutadiene diisocyanate samples. NR 49 TC 34 Z9 34 U1 2 U2 59 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 44 BP 21832 EP 21840 DI 10.1039/c3ra44794d PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 239WM UT WOS:000326056600102 ER PT J AU Zhu, YM Regner, M Lu, FC Kim, H Mohammadi, A Pearson, TJ Ralph, J AF Zhu, Yimin Regner, Matthew Lu, Fachuang Kim, Hoon Mohammadi, Allison Pearson, Timothy J. Ralph, John TI Preparation of monolignol gamma-acetate, gamma-p-hydroxycinnamate, and gamma-p-hydroxybenzoate conjugates: selective deacylation of phenolic acetates with hydrazine acetate SO RSC ADVANCES LA English DT Article ID AROMATIC ACETATES; COUMARIC ACID; LIGNIN MODIFICATION; SINAPYL ACETATE; ARYL ACETATES; MAIZE LIGNIN; CELL-WALLS; DEPROTECTION; CLEAVAGE; KENAF AB We report here a reliable and facile synthesis of a range of monolignol gamma-p-hydroxycinnamate (including p-coumarate, ferulate, and caffeate), gamma-acetate, and gamma-p-hydroxybenzoate conjugates, many not previously reported, that are either putative intermediates in the biosynthesis of natural lignins or new monomer-conjugates destined for upcoming designer lignins. The key was the development of a highly selective deacylation approach for phenolic acetates; i.e., a method that cleaves phenolic acetates while leaving the sensitive monolignol ester conjugates intact. C1 [Zhu, Yimin; Regner, Matthew; Lu, Fachuang; Kim, Hoon; Ralph, John] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA. [Regner, Matthew; Lu, Fachuang; Kim, Hoon; Mohammadi, Allison; Pearson, Timothy J.; Ralph, John] Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA. [Lu, Fachuang; Kim, Hoon; Ralph, John] Univ Wisconsin, Wisconsin Energy Inst, Madison, WI 53726 USA. [Zhu, Yimin] Penn State Univ, Altoona Coll, Dept Chem, Altoona, PA 16601 USA. RP Zhu, YM (reprint author), Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, 1552 Univ Ave, Madison, WI 53726 USA. EM yuz30@psu.edu FU US Department of Energy, the Office of Science [DE-SC0006930]; DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494] FX We are grateful for funding from US Department of Energy, the Office of Science (DE-SC0006930), and to partial funding for aspects of this work from the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494. We thank Professor Ronald Raines for insightful discussions on the stability of these conjugates. NR 35 TC 3 Z9 3 U1 2 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 44 BP 21964 EP 21971 DI 10.1039/c3ra42818d PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 239WM UT WOS:000326056600119 ER PT J AU Zhao, X Nguyen, MC Wang, CZ Ho, KM AF Zhao, Xin Manh Cuong Nguyen Wang, Cai-Zhuang Ho, Kai-Ming TI Structures and stabilities of alkaline earth metal peroxides XO2 (X = Ca, Be, Mg) studied by a genetic algorithm SO RSC ADVANCES LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; AB-INITIO DATA; EFFECTIVE POTENTIALS; BASIS-SET AB The structures and stabilities of alkaline earth metal peroxides XO2 (X = Ca, Be, Mg) were studied using an adaptive genetic algorithm (GA) for global structure optimization in combination with first-principles calculations. From the adaptive GA search, we obtained an orthorhombic structure for CaO2 with 12 atoms in the unit cell, which is energetically more favorable than the previously proposed structures. Reaction energy of the decomposition CaO2 -> CaO + 1/2O(2) determined by density functional theory (DFT) calculation shows that this orthorhombic calcium peroxide structure is thermodynamically stable. The simulated X-ray diffraction (XRD) pattern using our predicted structure is in excellent agreement with experimental data. We also show that crystal phase BeO2 is unlikely to exist under normal conditions. MgO2 has a cubic pyrite structure, but it is not stable against decomposition: MgO2 -> MgO + 1/2O(2). C1 [Zhao, Xin; Manh Cuong Nguyen; Wang, Cai-Zhuang; Ho, Kai-Ming] Iowa State Univ, US Dept Energy, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA. RP Wang, CZ (reprint author), Iowa State Univ, US Dept Energy, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA. EM wangcz@ameslab.gov RI Nguyen, Manh Cuong/G-2783-2015; OI Nguyen, Manh Cuong/0000-0001-8027-9029; Zhao, Xin/0000-0002-3580-512X FU US Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering [DE-AC02-07CH11358] FX Work at Ames Laboratory was supported by the US Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering, under Contract no. DE-AC02-07CH11358, including a grant of computer time at the National Energy Research Scientific Computing Centre (NERSC) in Berkeley, CA. NR 22 TC 7 Z9 7 U1 0 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 44 BP 22135 EP 22139 DI 10.1039/c3ra43617a PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 239WM UT WOS:000326056600140 ER PT S AU Bazavov, A Petreczky, P AF Bazavov, A. Petreczky, P. GP IOP TI Static potential and singlet free energy at non-zero temperature SO 29TH WINTER WORKSHOP ON NUCLEAR DYNAMICS (WWND2013) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 29th Winter Workshop on Nuclear Dynamics (WWND) CY FEB 03-10, 2013 CL CA ID FINITE-TEMPERATURE; SPECTRAL FUNCTIONS AB We study Wilson loops at non-zero temperature and extract the static quark potential from them. The extracted potentials are larger than the singlet free energies and do not show screening for T < 190 MeV. We also calculate the singlet free energy and find that only at high temperatures the potential approaches the singlet free energy C1 [Bazavov, A.; Petreczky, P.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Bazavov, A (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 19 TC 2 Z9 2 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 458 AR UNSP 012012 DI 10.1088/1742-6596/458/1/012012 PG 5 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BHJ85 UT WOS:000325651300012 ER PT S AU Campbell, S AF Campbell, Sarah CA PHENIX Collaboration GP IOP TI Prompt photon measurements with PHENIX's MPC-EX detector SO 29TH WINTER WORKSHOP ON NUCLEAR DYNAMICS (WWND2013) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 29th Winter Workshop on Nuclear Dynamics (WWND) CY FEB 03-10, 2013 CL CA AB The MPC-EX detector is a Si-W preshower extension to the existing Muon Piston Calorimeter (MPC). The MPC-EX consists of eight layers of alternating W absorber and Si mini-pad sensors. Located at forward rapidity, 3.1 < vertical bar eta vertical bar < 3.8, the MPC and MPC-EX will access low-x partons in the Au nucleus in p+Au collisions and high-x partons in the projectile in polarized p+p collisions. With the addition of the MPC-EX, the neutral pion reconstruction energy range extends to the luminosity limit, energies > 80 GeV, a factor of four improvement over current capabilities. Not only will the MPC-EX strengthen PHENIX's existing forward pi(0) and jet measurements, it will provide sufficient prompt photon and pi(0) separation to make a prompt photon measurement possible. Prompt photon yields at high p(T), p(T) > 3 GeV/c, can be statistically extracted using the double ratio method. In transversely polarized p+p collisions, the measurement of the prompt photon single spin asymmetry, A(N), will resolve the sign discrepancy between the Sivers and twist-3 extractions of A(N). In p+Au collisions, the prompt photon R-pAu will quantify the level of gluon saturation in the Au nucleus at low-x, x similar to 10(-3), with a projected systematic error band a factor of four smaller than EPS09's current allowable range. The MPC-EX detector will expand our understanding of the gluon nuclear parton distribution functions, providing important information about the initial state of heavy ion collisions, and clarify how the valence parton's transverse momentum and spin correlates to the proton spin. C1 [Campbell, Sarah; PHENIX Collaboration] Brookhaven Natl Lab, PHENIX, Upton, NY 11973 USA. RP Campbell, S (reprint author), Brookhaven Natl Lab, PHENIX, Bldg 510C, Upton, NY 11973 USA. EM campbels@iastate.edu OI Campbell, Sarah/0000-0001-6717-9744 NR 27 TC 0 Z9 0 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 458 AR UNSP 012028 DI 10.1088/1742-6596/458/1/012028 PG 8 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BHJ85 UT WOS:000325651300028 ER PT S AU Lee, K AF Lee, Kwangbok CA PHENIX Collaboration GP IOP TI Quarkonia RdAu and FVTX c/b measurement at the PHENIX SO 29TH WINTER WORKSHOP ON NUCLEAR DYNAMICS (WWND2013) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 29th Winter Workshop on Nuclear Dynamics (WWND) CY FEB 03-10, 2013 CL CA ID J/PSI AB Since quarkonia are produced dominantly by gluon-gluon fusion process, it is a good channel to explore the gluon distribution of the nucleon and its modification in nuclei. Contrasting with heavy ion collisions, d+A collisions are not expected to create a hot medium of nuclear matter. Therefore, we can study the quarkonia production in d + A collision and separate the cold nuclear matter effects from the pattern seen in the collisions of large nuclei. The PHENIX collaboration has measured interesting results for J/psi, psi' and chi(c) at mid rapidity, vertical bar eta vertical bar < 0.35, and J/psi, and Gamma at forward rapidity, 1.2 < eta < 2.2 for root s(NN) = 200 GeV d+Au collisions [1-4]. Recently the Forward Silicon Vertex Detector (FVTX) has been installed to the PHENIX detector and much more precise open heavy flavor and vector meson measurements will be possible in the forward rapidity region of the PHENIX Muon Arms. In this talk we will show the aforementioned quarkonia measurements from PHENIX and report on the status of the FVTX detector and physics analyses that will use the FVTX detector in conjunction with the Muon Arms. C1 [Lee, Kwangbok; PHENIX Collaboration] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Lee, K (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. EM kwangboklee1@gmail.com NR 12 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 458 AR UNSP 012008 DI 10.1088/1742-6596/458/1/012008 PG 8 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BHJ85 UT WOS:000325651300008 ER PT S AU McLerran, L AF McLerran, Larry GP IOP TI The Color Glass Condensate, Glasma and the Quark Gluon Plasma in the Context of Recent pPb Results from LHC SO 29TH WINTER WORKSHOP ON NUCLEAR DYNAMICS (WWND2013) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 29th Winter Workshop on Nuclear Dynamics (WWND) CY FEB 03-10, 2013 CL CA ID NUCLEUS-NUCLEUS COLLISIONS; TRANSVERSE-MOMENTUM; QCD MATTER; COLLABORATION; PERSPECTIVE; DENSITY AB This paper describes some of the implications of the LHC pPb experimental results for understanding the Color Glass Condensate, the Glasma and the thermalized Quark Gluon Plasma. I attempt to outline the scientific issues, various possible explanations about what has been seen, and present ideas on how some of the alternative explanations might be resolved. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP McLerran, L (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 45 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 458 AR UNSP 012024 DI 10.1088/1742-6596/458/1/012024 PG 6 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BHJ85 UT WOS:000325651300024 ER PT S AU Sakaguchi, T AF Sakaguchi, Takao CA PHENIX Collaboration GP IOP TI Cold nuclear matter effect measured with high p(T) hadrons and jets in 200GeV d plus Au collisions in PHENIX SO 29TH WINTER WORKSHOP ON NUCLEAR DYNAMICS (WWND2013) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 29th Winter Workshop on Nuclear Dynamics (WWND) CY FEB 03-10, 2013 CL CA AB High p(T) pi(0) and. as well as jets are measured using high statistics d+ Au collision data collected in RHIC Year-2008 run. Both R-dA and R-cp for three observables are found to be very consistent each other within quoted systematic and statistical uncertainties. It was found that the R-dA is strongly centrality dependent as opposed to the expectations from theoretical models. An explanation of the centrality dependence from the experimental point of view is presented. C1 [Sakaguchi, Takao; PHENIX Collaboration] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Sakaguchi, T (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM takao@bnl.gov NR 4 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 458 AR UNSP 012022 DI 10.1088/1742-6596/458/1/012022 PG 8 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BHJ85 UT WOS:000325651300022 ER PT S AU Wang, H AF Wang, Hui CA STAR Collaboration GP IOP TI STAR Results from the RHIC Beam Energy Scan SO 29TH WINTER WORKSHOP ON NUCLEAR DYNAMICS (WWND2013) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 29th Winter Workshop on Nuclear Dynamics (WWND) CY FEB 03-10, 2013 CL CA ID HEAVY-ION COLLISIONS; MODEL; FLOW AB The collision of two gold nuclei at top RHIC energy (root s(NN)=200 GeV) creates a new phase of matter, the quark-gluon plasma (QGP). The QGP exists at very high temperatures, T, and low baryo-chemical potentials mu B. Both lattice QCD and experimental data indicate this transition from hadronic matter to Quark Gluon Plasma is an analytical transition (cross-over). On the other hand, systems formed at larger values of the baryo-chemical potential may undergo a first-order transition. Thus there can be an end point of the first-order transition on the QCD phase diagram, the critical point. To study the QCD phase boundary and search for the possible QCD critical point, RHIC launched a Beam Energy Scan Program. In 2010 and 2011, we collected data at root s(NN)=7.7, 11.5, 19.6, 27, 39 and 62.4 GeV, which covers a wide range of baryon chemical potential from mu B 420 to 40 MeV. In this article, we will report the latest results of the Beam Energy Scan Program from the STAR collaboration. C1 [Wang, Hui; STAR Collaboration] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Wang, H (reprint author), Brookhaven Natl Lab, RM 1-174,Bldg 510A, Upton, NY 11973 USA. EM wanghui6@bnl.gov NR 27 TC 0 Z9 0 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 458 AR UNSP 012001 DI 10.1088/1742-6596/458/1/012001 PG 8 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BHJ85 UT WOS:000325651300001 ER PT J AU Bhardwaj, C Cui, Y Hofstetter, T Liu, SY Bernstein, HC Carlson, RP Ahmed, M Hanley, L AF Bhardwaj, Chhavi Cui, Yang Hofstetter, Theresa Liu, Suet Yi Bernstein, Hans C. Carlson, Ross P. Ahmed, Musahid Hanley, Luke TI Differentiation of microbial species and strains in coculture biofilms by multivariate analysis of laser desorption postionization mass spectra SO ANALYST LA English DT Article ID SECONDARY-ION; ELECTROSPRAY-IONIZATION; VUV-PHOTOIONIZATION; BACTERIAL BIOFILMS; ESCHERICHIA-COLI; CANDIDA-ALBICANS; SPECTROMETRY; MS; IDENTIFICATION; RESOLUTION AB 7.87 to 10.5 eV vacuum ultraviolet (VUV) photon energies were used in laser desorption postionization mass spectrometry (LDPI-MS) to analyze biofilms comprised of binary cultures of interacting microorganisms. The effect of photon energy was examined using both tunable synchrotron and laser sources of VUV radiation. Principal components analysis (PCA) was applied to the MS data to differentiate species in Escherichia coli-Saccharomyces cerevisiae coculture biofilms. PCA of LDPI-MS also differentiated individual E. coli strains in a biofilm comprised of two interacting gene deletion strains, even though these strains differed from the wild type K-12 strain by no more than four gene deletions each out of approximately 2000 genes. PCA treatment of 7.87 eV LDPI-MS data separated the E. coli strains into three distinct groups, two "pure" groups, and a mixed region. Furthermore, the "pure" regions of the E. coli cocultures showed greater variance by PCA at 7.87 eV photon energies compared to 10.5 eV radiation. This is consistent with the expectation that the 7.87 eV photoionization selects a subset of low ionization energy analytes while 10.5 eV is more inclusive, detecting a wider range of analytes. These two VUV photon energies therefore give different spreads via PCA and their respective use in LDPI-MS constitute an additional experimental parameter to differentiate strains and species. C1 [Bhardwaj, Chhavi; Cui, Yang; Ahmed, Musahid; Hanley, Luke] Univ Illinois, Dept Chem, Chicago, IL 60607 USA. [Hofstetter, Theresa; Liu, Suet Yi] Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA 94720 USA. [Bernstein, Hans C.; Carlson, Ross P.] Montana State Univ, Ctr Biofilm Engn, Bozeman, MT 59717 USA. RP Hanley, L (reprint author), Univ Illinois, Dept Chem, Chicago, IL 60607 USA. EM LHanley@uic.edu RI Ahmed, Musahid/A-8733-2009; OI Cui, Yang/0000-0002-6071-8677; Bernstein, Hans/0000-0003-2913-7708 FU National Institute of Biomedical Imaging and Bioengineering [EB006532]; Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors acknowledge the assistance of Anjan Roy in developing the multivariate analysis and thank Gulsah Uygur for useful discussions. This work was supported by the National Institute of Biomedical Imaging and Bioengineering via grant EB006532. MA, TH, SL, and the Advanced Light Source were supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. The contents of this manuscript are solely the responsibility of the authors and do not necessarily represent the official views of the National Institute of Biomedical Imaging and Bioengineering, the National Institutes of Health, or the Department of Energy. NR 46 TC 3 Z9 3 U1 1 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 EI 1364-5528 J9 ANALYST JI Analyst PY 2013 VL 138 IS 22 BP 6844 EP 6851 DI 10.1039/c3an01389h PG 8 WC Chemistry, Analytical SC Chemistry GA 236SK UT WOS:000325819300019 PM 24067765 ER PT J AU Inoue, M Morino, I Uchino, O Miyamoto, Y Yoshida, Y Yokota, T Machida, T Sawa, Y Matsueda, H Sweeney, C Tans, PP Andrews, AE Biraud, SC Tanaka, T Kawakami, S Patra, PK AF Inoue, M. Morino, I. Uchino, O. Miyamoto, Y. Yoshida, Y. Yokota, T. Machida, T. Sawa, Y. Matsueda, H. Sweeney, C. Tans, P. P. Andrews, A. E. Biraud, S. C. Tanaka, T. Kawakami, S. Patra, P. K. TI Validation of XCO2 derived from SWIR spectra of GOSAT TANSO-FTS with aircraft measurement data SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID ATMOSPHERIC CARBON-DIOXIDE; FOURIER-TRANSFORM SPECTROMETER; GASES OBSERVING SATELLITE; GREENHOUSE GASES; RETRIEVAL ALGORITHM; COMMERCIAL AIRLINES; WESTERN PACIFIC; MOLE FRACTIONS; OBSERVED CO2; TCCON SITES AB Column-averaged dry air mole fractions of carbon dioxide (XCO2) retrieved from Greenhouse gases Observing SATellite (GOSAT) Short-Wavelength InfraRed (SWIR) observations were validated with aircraft measurements by the Comprehensive Observation Network for TRace gases by AIrLiner (CONTRAIL) project, the National Oceanic and Atmospheric Administration (NOAA), the US Department of Energy (DOE), the National Institute for Environmental Studies (NIES), the HIAPER Pole-to-Pole Observations (HIPPO) program, and the GOSAT validation aircraft observation campaign over Japan. To calculate XCO2 based on aircraft measurements (aircraft-based XCO2), tower measurements and model outputs were used for additional information near the surface and above the tropopause, respectively. Before validation, we investigated the impacts of GOSAT SWIR column averaging kernels (CAKs) and the shape of a priori profiles on the aircraft-based XCO2 calculation. The differences between aircraft-based XCO2 with and without the application of GOSAT CAK were evaluated to be less than +/-0.4 ppm at most, and less than +/-0.1 ppm on average. Therefore, we concluded that the GOSAT CAK produces only a minor effect on the aircraft-based XCO2 calculation in terms of the overall uncertainty of GOSAT XCO2. We compared GOSAT data retrieved within +/-2 or +/-5 degrees latitude/longitude boxes centered at each aircraft measurement site to aircraft-based data measured on a GOSAT overpass day. The results indicated that GOSAT XCO2 over land regions agreed with aircraft-based XCO2, except that the former is biased by -0.68 ppm (-0.99 ppm) with a standard deviation of 2.56 ppm (2.51 ppm), whereas the averages of the differences between the GOSAT XCO2 over ocean and the aircraft-based XCO2 were -1.82 ppm (-2.27 ppm) with a standard deviation of 1.04 ppm (1.79 ppm) for +/-2 degrees (+/-5 degrees) boxes. C1 [Inoue, M.; Morino, I.; Uchino, O.; Yoshida, Y.; Yokota, T.; Machida, T.; Tanaka, T.] NIES, Tsukuba, Ibaraki, Japan. [Miyamoto, Y.] Okayama Univ, Grad Sch Nat Sci & Technol, Okayama 7008530, Japan. [Sawa, Y.; Matsueda, H.] Mission Res Inc, Tsukuba, Ibaraki, Japan. [Sweeney, C.; Tans, P. P.; Andrews, A. E.] NOAA, Boulder, CO USA. [Biraud, S. C.] LBNL, Berkeley, CA USA. [Kawakami, S.] Japan Aerosp Explorat Agcy JAXA, Tsukuba, Ibaraki, Japan. [Patra, P. K.] JAMSTEC, Res Inst Global Change, Yokohama, Kanagawa, Japan. RP Inoue, M (reprint author), NIES, Tsukuba, Ibaraki, Japan. EM inoue.makoto@nies.go.jp RI Biraud, Sebastien/M-5267-2013; Andrews, Arlyn/K-3427-2012; Morino, Isamu/K-1033-2014; Inoue, Makoto/M-8505-2014 OI Biraud, Sebastien/0000-0001-7697-933X; Morino, Isamu/0000-0003-2720-1569; Inoue, Makoto/0000-0002-6826-5334 FU Office of Biological and Environmental Research of the US Department of Energy as part of the Atmospheric Radiation Measurement Program (ARM), ARM Aerial Facility, and Terrestrial Ecosystem Science Program [DE-AC02-05CH11231]; National Science Foundation (NSF); Ministry of the Environment, Japan [2A-1102] FX The authors thank the many staff members of Japan Airlines, the JAL Foundation, and JAMCO Tokyo for supporting the CONTRAIL project. We are grateful to the NOAA ESRL/GMD tall tower network (K. Davis, A. Desai, R. Teclaw, D. Baumann, and C. Stanier) for providing LEF and WBI CO2 tower data. DOE flights were supported by the Office of Biological and Environmental Research of the US Department of Energy under contract No. DE-AC02-05CH11231 as part of the Atmospheric Radiation Measurement Program (ARM), ARM Aerial Facility, and Terrestrial Ecosystem Science Program. We also thank the HIPPO team members for CO2 profile data by HIPPO missions and Steven C. Wofsy at Harvard University for his useful suggestions. The HIPPO program is supported by the National Science Foundation (NSF), and its operations are managed by the Earth Observing Laboratory (EOL) of the National Center for Atmospheric Research (NCAR). TCCON a priori profiles were obtained from the TCCON data archive, operated by the California Institute of Technology (http://tccon.ipac.caltech.edu/). US support for TCCON retrieval software and the development of these data comes from NASA's Carbon Cycle Science Program and NASA's OCO-2 project. This research was supported in part by the Environment Research and Technology Development Fund (2A-1102) of the Ministry of the Environment, Japan. NR 68 TC 17 Z9 18 U1 0 U2 20 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2013 VL 13 IS 19 BP 9771 EP 9788 DI 10.5194/acp-13-9771-2013 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 234OY UT WOS:000325654900006 ER PT J AU Locatelli, R Bousquet, P Chevallier, F Fortems-Cheney, A Szopa, S Saunois, M Agusti-Panareda, A Bergmann, D Bian, H Cameron-Smith, P Chipperfield, MP Gloor, E Houweling, S Kawa, SR Krol, M Patra, PK Prinn, RG Rigby, M Saito, R Wilson, C AF Locatelli, R. Bousquet, P. Chevallier, F. Fortems-Cheney, A. Szopa, S. Saunois, M. Agusti-Panareda, A. Bergmann, D. Bian, H. Cameron-Smith, P. Chipperfield, M. P. Gloor, E. Houweling, S. Kawa, S. R. Krol, M. Patra, P. K. Prinn, R. G. Rigby, M. Saito, R. Wilson, C. TI Impact of transport model errors on the global and regional methane emissions estimated by inverse modelling SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID GENERAL-CIRCULATION MODEL; ATMOSPHERIC TRANSPORT; TRACER TRANSPORT; CO2 INVERSIONS; BOUNDARY-LAYER; VERTICAL PROFILES; DATA ASSIMILATION; CLIMATE-CHANGE; GROWTH-RATE; PART I AB A modelling experiment has been conceived to assess the impact of transport model errors on methane emissions estimated in an atmospheric inversion system. Synthetic methane observations, obtained from 10 different model outputs from the international TransCom-CH4 model inter-comparison exercise, are combined with a prior scenario of methane emissions and sinks, and integrated into the three-component PYVAR-LMDZ-SACS (PYthon VARiational-Laboratoire de Meteorologie Dynamique model with Zooming capability-Simplified Atmospheric Chemistry System) inversion system to produce 10 different methane emission estimates at the global scale for the year 2005. The same methane sinks, emissions and initial conditions have been applied to produce the 10 synthetic observation datasets. The same inversion set-up (statistical errors, prior emissions, inverse procedure) is then applied to derive flux estimates by inverse modelling. Consequently, only differences in the modelling of atmospheric transport may cause differences in the estimated fluxes. In our framework, we show that transport model errors lead to a discrepancy of 27 Tg yr(-1) at the global scale, representing 5% of total methane emissions. At continental and annual scales, transport model errors are proportionally larger than at the global scale, with errors ranging from 36 Tg yr(-1) in North America to 7 Tg yr(-1) in Boreal Eurasia (from 23 to 48 %, respectively). At the model grid-scale, the spread of inverse estimates can reach 150% of the prior flux. Therefore, transport model errors contribute significantly to overall uncertainties in emission estimates by inverse modelling, especially when small spatial scales are examined. Sensitivity tests have been carried out to estimate the impact of the measurement network and the advantage of higher horizontal resolution in transport models. The large differences found between methane flux estimates inferred in these different configurations highly question the consistency of transport model errors in current inverse systems. Future inversions should include more accurately prescribed observation covariances matrices in order to limit the impact of transport model errors on estimated methane fluxes. C1 [Locatelli, R.; Bousquet, P.; Chevallier, F.; Fortems-Cheney, A.; Szopa, S.; Saunois, M.] LSCE UMR8212, Lab Sci Climat & Environm, Gif Sur Yvette, France. [Agusti-Panareda, A.] European Ctr Medium Range Weather Forecasts, Reading RG2 9AX, Berks, England. [Bergmann, D.; Cameron-Smith, P.] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94550 USA. [Bian, H.; Kawa, S. R.] NASA, Goddard Space Flight Ctr, Goddard Earth Sci & Technol Ctr, Greenbelt, MD 20771 USA. [Chipperfield, M. P.; Gloor, E.; Wilson, C.] Univ Leeds, Sch Earth & Environm, Inst Climate & Atmospher Sci, Leeds LS2 9JT, W Yorkshire, England. [Houweling, S.; Krol, M.] SRON Netherlands Inst Space Res, NL-3584 CA Utrecht, Netherlands. [Houweling, S.; Krol, M.] Inst Marine & Atmospher Res Utrecht IMAU, NL-3584 CC Utrecht, Netherlands. [Krol, M.] Univ Wageningen & Res Ctr, NL-6708 PB Wageningen, Netherlands. [Patra, P. K.; Saito, R.] Res Inst Global Change JAMSTEC, Yokohama, Kanagawa 2360001, Japan. [Prinn, R. G.; Rigby, M.] MIT, Ctr Global Change Sci, Cambridge, MA 02139 USA. [Rigby, M.] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England. RP Locatelli, R (reprint author), LSCE UMR8212, Lab Sci Climat & Environm, Gif Sur Yvette, France. EM robin.locatelli@lsce.ipsl.fr RI Rigby, Matthew/A-5555-2012; Szopa, Sophie/F-8984-2010; Krol, Maarten/E-3414-2013; Chipperfield, Martyn/H-6359-2013; Bergmann, Daniel/F-9801-2011; Cameron-Smith, Philip/E-2468-2011; Chevallier, Frederic/E-9608-2016; OI Rigby, Matthew/0000-0002-2020-9253; Szopa, Sophie/0000-0002-8641-1737; Chipperfield, Martyn/0000-0002-6803-4149; Bergmann, Daniel/0000-0003-4357-6301; Cameron-Smith, Philip/0000-0002-8802-8627; Chevallier, Frederic/0000-0002-4327-3813; Wilson, Chris/0000-0001-8494-0697 FU DGA (Direction Generale de l'Armement); CEA (Centre a l'Energie Atomique et aux Energies Alternatives); European Community [SPA.2011.1.5-02, 283576]; IMPACTS project; US DOE (BER); LDRD program at LLNL [07-ERD-064]; [DE-AC52-07NA27344] FX This work is supported by DGA (Direction Generale de l'Armement) and by CEA (Centre a l'Energie Atomique et aux Energies Alternatives). The research leading to the IFS results has received funding from the European Community's Seventh Framework Programme (FP7 THEME [SPA.2011.1.5-02]) under grant agreement n. 283576 in the context of the MACC-II project (Monitoring Atmospheric Composition and Climate -Interim Implementation). The contribution by the LLNL authors was prepared under Contract DE-AC52-07NA27344, with different parts supported by the IMPACTS project funded by the US DOE (BER) and project (07-ERD-064) funded by the LDRD program at LLNL. The TRANSCOM community is to be thanked for sustained efforts on transport model studies since 1993. We thank two anonymous reviewers for critical evaluation and providing very helpful comments and suggestions for improving this article. NR 86 TC 19 Z9 20 U1 2 U2 29 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2013 VL 13 IS 19 BP 9917 EP 9937 DI 10.5194/acp-13-9917-2013 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 234OY UT WOS:000325654900015 ER PT J AU Ghan, SJ AF Ghan, S. J. TI Technical Note: Estimating aerosol effects on cloud radiative forcing SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID FLUX AB Estimating anthropogenic aerosol effects on the planetary energy balance through the aerosol influence on clouds using the difference in cloud radiative forcing from simulations with and without anthropogenic emissions produces estimates that are positively biased. A more representative method is suggested using the difference in cloud radiative forcing calculated as a diagnostic with aerosol scattering and absorption neglected. The method also yields an aerosol radiative forcing decomposition that includes a term quantifying the impact of changes in surface albedo. The method requires only two additional diagnostic calculations: the whole-sky and clear-sky top-of-atmosphere radiative flux with aerosol scattering and absorption neglected. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ghan, SJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM steve.ghan@pnnl.gov RI Ghan, Steven/H-4301-2011 OI Ghan, Steven/0000-0001-8355-8699 FU US Department of Energy, Office of Science, Scientific Discovery through Advanced Computing (SciDAC) Program; Office of Science Earth System Modeling Program; National Science Foundation; Office of Science (BER) of the US Department of Energy; DOE [DE-AC06-76RLO 1830] FX Phil Rasch prodded me to think more deeply about decomposition, and Xiaohong Liu ran the simulations and provided the model history. This work was funded by the US Department of Energy, Office of Science, Scientific Discovery through Advanced Computing (SciDAC) Program and by the Office of Science Earth System Modeling Program. The CESM project is supported by the National Science Foundation and the Office of Science (BER) of the US Department of Energy. Computing resources were provided by the Climate Simulation Laboratory at NCAR's Computational and Information Systems Laboratory (CISL), sponsored by the National Science Foundation and other agencies. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under Contract DE-AC06-76RLO 1830. NR 13 TC 31 Z9 31 U1 0 U2 12 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2013 VL 13 IS 19 BP 9971 EP 9974 DI 10.5194/acp-13-9971-2013 PG 4 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 234OY UT WOS:000325654900017 ER PT J AU Butler, KS Lovato, DM Adolphi, NL Belfon, R Fegan, DL Monson, TC Hathaway, HJ Huber, DL Tessier, TE Bryant, HC Flynn, ER Larson, RS AF Butler, Kimberly S. Lovato, Debbie M. Adolphi, Natalie L. Belfon, Robert Fegan, Danielle L. Monson, Todd C. Hathaway, Helen J. Huber, Dale L. Tessier, T. E. Bryant, H. C. Flynn, Edward R. Larson, Richard S. TI Development of Antibody-Tagged Nanoparticles for Detection of Transplant Rejection Using Biomagnetic Sensors SO CELL TRANSPLANTATION LA English DT Article DE Magnetic nanoparticles; Transplant rejection; Cluster of differentiation 3 (CD3); Superconducting Quantum Interference Device (SQUID) detection ID IRON-OXIDE NANOPARTICLES; T-CELLS; MAGNETIC-RESONANCE; DRUG-DELIVERY; RENAL-TRANSPLANTATION; ALLOGRAFT-REJECTION; GRAFT-REJECTION; HOMING TRAIT; MOUSE MODEL; MRI AB Organ transplantation is a life-saving procedure and the preferred method of treatment for a growing number of disease states. The advent of new immunosuppressants and improved care has led to great advances in both patient and graft survival. However, acute T-cell-mediated graft rejection occurs in a significant quantity of recipients and remains a life-threatening condition. Acute rejection is associated with decrease in long-term graft survival, demonstrating a need to carefully monitor transplant patients. Current diagnostic criteria for transplant rejection rely on invasive tissue biopsies or relatively nonspecific clinical features. A noninvasive way is needed to detect, localize, and monitor transplant rejection. Capitalizing on advances in targeted contrast agents and magnetic-based detection technology, we developed anti-CD3 antibody-tagged nanoparticles. T cells were found to bind preferentially to antibody-tagged nanoparticles, as identified through light microscopy, transmission electron microscopy, and confocal microscopy. Using mouse skin graft models, we were also able to demonstrate in vivo vascular delivery of T-cell targeted nanoparticles. We conclude that targeting lymphocytes with magnetic nanoparticles is conducive to developing a novel, noninvasive strategy for identifying transplant rejection. C1 [Butler, Kimberly S.; Lovato, Debbie M.; Larson, Richard S.] Univ New Mexico, Dept Pathol, Albuquerque, NM 87112 USA. [Butler, Kimberly S.; Lovato, Debbie M.; Larson, Richard S.] Canc Res & Treatment Ctr, Albuquerque, NM USA. [Adolphi, Natalie L.] Univ New Mexico, Dept Biochem & Mol Biol, Albuquerque, NM 87112 USA. [Belfon, Robert; Hathaway, Helen J.] Univ New Mexico, Dept Cell Biol & Physiol, Albuquerque, NM 87112 USA. [Fegan, Danielle L.; Tessier, T. E.; Bryant, H. C.; Flynn, Edward R.] Senior Sci LLC, Albuquerque, NM USA. [Monson, Todd C.] Sandia Natl Labs, Nanomat Sci Dept, Albuquerque, NM 87185 USA. [Huber, Dale L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Larson, RS (reprint author), Univ New Mexico, Sch Med, Albuquerque, NM 87112 USA. EM RLarson@salud.unm.edu RI Huber, Dale/A-6006-2008; OI Huber, Dale/0000-0001-6872-8469; Monson, Todd/0000-0002-9782-7084 FU NIH [5R44AI066765-03]; National Institutes of Health [2R44A1066765-02A2]; U.S. Department of Energy's Nuclear Security Administration [DE-AC04-94AL85000.]; ABQMR and nanoMR FX This project was supported by NIH grant 5R44AI066765-03. Senior Scientific, LLC, acknowledges the support of the National Institutes of Health under Grant 2R44A1066765-02A2. Dr: Edward Flynn was the founder, CEO, and owner of Senior Scientific. Confocal images in this paper were generated in the University of New Mexico & Cancer Center Fluorescence Microscopy Shared Resource, funded as detailed on http://hsc.unin.edu/crtchnicroscopy. TEM images were performed in the UNM Health Sciences Center Electron Microscopy Facility and the Biological Imaging Facility in the Department of Cell Biology and Physiology at the University of New Mexico. 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 multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's Nuclear Security Administration under contract DE-AC04-94AL85000. N.L.A. has equity interests in ABQMR and nanoMR; neither company sponsored this work. NR 53 TC 2 Z9 2 U1 1 U2 4 PU COGNIZANT COMMUNICATION CORP PI PUTNAM VALLEY PA 18 PEEKSKILL HOLLOW RD, PO BOX 37, PUTNAM VALLEY, NY 10579 USA SN 0963-6897 EI 1555-3892 J9 CELL TRANSPLANT JI Cell Transplant. PY 2013 VL 22 IS 10 BP 1943 EP 1954 DI 10.3727/096368912X657963 PG 12 WC Cell & Tissue Engineering; Medicine, Research & Experimental; Transplantation SC Cell Biology; Research & Experimental Medicine; Transplantation GA 234SR UT WOS:000325665100015 PM 23069078 ER PT J AU Chen, RZ Yao, JF Gu, QF Smeets, S Baerlocher, C Gu, HX Zhu, DR Morris, W Yaghi, OM Wang, HT AF Chen, Rizhi Yao, Jianfeng Gu, Qinfen Smeets, Stef Baerlocher, Christian Gu, Haoxue Zhu, Dunru Morris, William Yaghi, Omar M. Wang, Huanting TI A two-dimensional zeolitic imidazolate framework with a cushion-shaped cavity for CO2 adsorption SO CHEMICAL COMMUNICATIONS LA English DT Article ID METAL-ORGANIC FRAMEWORKS; CARBON-DIOXIDE CAPTURE; AQUEOUS-SOLUTION; SEPARATION; ZIF-8; SIZE AB A new two-dimensional zeolitic imidazolate framework (named as ZIF-L) was synthesized in zinc salt and 2-methylimidazole (Hmim) aqueous solution at room temperature. ZIF-L (Zn(mim)(2)center dot(Hmim)(1/2)center dot(H2O)(3/2) or C10H16N5O3/2Zn) has unique cushion-shaped cavities and leaf-like crystalmorphology, and exhibits excellent CO2 adsorption properties. C1 [Chen, Rizhi; Yao, Jianfeng; Wang, Huanting] Monash Univ, Dept Chem Engn, Clayton, Vic 3800, Australia. [Chen, Rizhi; Gu, Haoxue; Zhu, Dunru] Nanjing Univ Technol, State Key Lab Mat Oriented Chem Engn, Nanjing 210009, Jiangsu, Peoples R China. [Gu, Qinfen] Australian Synchrotron, Clayton, Vic 3168, Australia. [Smeets, Stef; Baerlocher, Christian] ETH, Crystallog Lab, CH-8093 Zurich, Switzerland. [Morris, William] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Yaghi, Omar M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yaghi, Omar M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Wang, HT (reprint author), Monash Univ, Dept Chem Engn, Clayton, Vic 3800, Australia. EM huanting.wang@monash.edu RI Yao, Jianfeng/C-1010-2011; Wang, Huanting/G-8399-2011; OI Yao, Jianfeng/0000-0002-3619-6741; Wang, Huanting/0000-0002-9887-5555; Smeets, Stef/0000-0002-5413-9038 FU ARC [FT100100192]; Monash University; NKSTPC [2011BAE07B05]; NNSFC [20990222, 21106061, 21171093]; NSF of Jiangsu Province [BK2010549, BK2009021]; Swiss National Science Foundation FX H.W. thanks the ARC for a Future Fellowship (FT100100192). J.Y. thanks Monash University for a Monash Fellowship. This project was in part supported by NKSTPC (2011BAE07B05), NNSFC (20990222, 21106061, and 21171093), and NSF of Jiangsu Province (BK2010549, BK2009021). S. S. thanks the Swiss National Science Foundation for support. Part of experimental work was conducted at the Australian Synchrotron. NR 23 TC 47 Z9 47 U1 29 U2 201 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 82 BP 9500 EP 9502 DI 10.1039/c3cc44342f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 222UT UT WOS:000324758000041 PM 24018656 ER PT J AU Wang, J Webb-Robertson, BJM Matzke, MM Varnum, SM Brown, JN Riensche, RM Adkins, JN Jacobs, JM Hoidal, JR Scholand, MB Pounds, JG Blackburn, MR Rodland, KD McDermott, JE AF Wang, Jing Webb-Robertson, Bobbie-Jo M. Matzke, Melissa M. Varnum, Susan M. Brown, Joseph N. Riensche, Roderick M. Adkins, Joshua N. Jacobs, Jon M. Hoidal, John R. Scholand, Mary Beth Pounds, Joel G. Blackburn, Michael R. Rodland, Karin D. McDermott, Jason E. TI A Semiautomated Framework for Integrating Expert Knowledge into Disease Marker Identification SO DISEASE MARKERS LA English DT Article ID MS PROTEOMICS EXPERIMENTS; DEAMINASE-DEFICIENT MICE; BIOMARKER DISCOVERY; OMICS DATA; SELECTION; BIOLOGY; TOOL; INFLAMMATION; INTENSITIES; SIMILARITY AB Background. The availability of large complex data sets generated by high throughput technologies has enabled the recent proliferation of disease biomarker studies. However, a recurring problem in deriving biological information from large data sets is how to best incorporate expert knowledge into the biomarker selection process. Objective. To develop a generalizable framework that can incorporate expert knowledge into data-driven processes in a semiautomated way while providing a metric for optimization in a biomarker selection scheme. Methods. The framework was implemented as a pipeline consisting of five components for the identification of signatures from integrated clustering (ISIC). Expert knowledge was integrated into the biomarker identification process using the combination of two distinct approaches; a distance-based clustering approach and an expert knowledge-driven functional selection. Results. The utility of the developed framework ISIC was demonstrated on proteomics data from a study of chronic obstructive pulmonary disease (COPD). Biomarker candidates were identified in a mouse model using ISIC and validated in a study of a human cohort. Conclusions. Expert knowledge can be introduced into a biomarker discovery process in different ways to enhance the robustness of selected marker candidates. Developing strategies for extracting orthogonal and robust features from large data sets increases the chances of success in biomarker identification. C1 [Wang, Jing; Webb-Robertson, Bobbie-Jo M.; Matzke, Melissa M.; Riensche, Roderick M.; McDermott, Jason E.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Varnum, Susan M.; Brown, Joseph N.; Adkins, Joshua N.; Jacobs, Jon M.; Pounds, Joel G.; Rodland, Karin D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Hoidal, John R.; Scholand, Mary Beth] Univ Utah, Sch Med, Dept Internal Med, Salt Lake City, UT 84132 USA. [Blackburn, Michael R.] Univ Texas Houston, Sch Med, Dept Biochem & Mol Biol, Houston, TX 77030 USA. RP McDermott, JE (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jason.mcdermott@pnnl.gov OI Blackburn, Michael/0000-0002-1394-9966; Pounds, Joel/0000-0002-6616-1566; Adkins, Joshua/0000-0003-0399-0700 FU Signatures Discovery Initiative, a component of the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory; U.S. Department of Energy [DE-AC05-76RL01830]; Pulmonary Systems Biology Initiative of the Battelle Memorial Institute; National Institutes of Health (NIEHS) [U54-ES016015] FX The authors would like to thank Dr. Harish Shankaran for his help in the functional enrichment analysis. This study was supported by the Signatures Discovery Initiative, a component of the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory, a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. The proteomics measurements were conducted in the Proteomics Facility at the Environmental Molecular Sciences Laboratory, a DOE BER national scientific user facility at Pacific Northwest National Laboratory (PNNL) in Richland, WA. Support was also received from the Pulmonary Systems Biology Initiative of the Battelle Memorial Institute. The work on the patient samples was supported by funds from National Institutes of Health (NIEHS) (Grant U54-ES016015). NR 47 TC 0 Z9 0 U1 1 U2 8 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 0278-0240 EI 1875-8630 J9 DIS MARKERS JI Dis. Markers PY 2013 BP 513 EP 523 DI 10.1155/2013/613529 PG 11 WC Biotechnology & Applied Microbiology; Genetics & Heredity; Medicine, Research & Experimental; Pathology SC Biotechnology & Applied Microbiology; Genetics & Heredity; Research & Experimental Medicine; Pathology GA 238XD UT WOS:000325984200001 PM 24223463 ER PT S AU Bazavov, A AF Bazavov, Alexei GP IOP TI An overview of (selected) recent results in finite-temperature lattice QCD SO HOT QUARKS 2012: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 5th Workshop for Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY OCT 14-20, 2012 CL PR SP Brookhaven Natl Lab, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Int Ctr FAIR, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Natl Sci Fdn, Netherlands Org Sci Res ID CHROMODYNAMICS; THERMODYNAMICS; TRANSITION AB I discuss recent results on the lattice with the main emphasis on the thermodynamics of the crossover region, restoration of the chiral symmetry and fluctuations of conserved charges as an indicator of deconfinement, that may also be used to determine the chemical freeze-out conditions in heavy-ion collision experiments. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Bazavov, A (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM obazavov@quark.phy.bnl.gov NR 27 TC 1 Z9 1 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 446 AR UNSP 012011 DI 10.1088/1742-6596/446/1/012011 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHL93 UT WOS:000325851000011 ER PT S AU Lamont, MAC AF Lamont, Matthew A. C. GP IOP TI The importance of e plus A collisions at an Electron-Ion Collider SO HOT QUARKS 2012: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 5th Workshop for Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY OCT 14-20, 2012 CL PR SP Brookhaven Natl Lab, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Int Ctr FAIR, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Natl Sci Fdn, Netherlands Org Sci Res ID SCATTERING AB Despite decades of high-energy nuclear physics experiments, relatively little is known about the structure of nuclei outside of the valence region. In order to explore this region, nuclear Deep Inelastic Collisions are required. The proposal to build an electron accelerator at RHIC (to form eRHIC) will be able to answer some of these outstanding questions. This paper will outline a couple of measurements that could be made at the new accelerator. C1 Brookhaven Natl Lab, Upton, NY 11777 USA. RP Lamont, MAC (reprint author), Brookhaven Natl Lab, Upton, NY 11777 USA. EM macl@bnl.gov NR 20 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 446 AR UNSP 012051 DI 10.1088/1742-6596/446/1/012051 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHL93 UT WOS:000325851000051 ER PT S AU Sickles, AM AF Sickles, Anne M. CA PHENIX Collaboration GP IOP TI The Physics of sPHENIX SO HOT QUARKS 2012: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 5th Workshop for Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY OCT 14-20, 2012 CL PR SP Brookhaven Natl Lab, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Int Ctr FAIR, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Natl Sci Fdn, Netherlands Org Sci Res AB Jet related observables have been some of the most powerful and exciting probes for understanding the matter produced in ultra-relativistic heavy ion collisions. Full jet reconstruction was begun at RHIC, and the LHC experiments have shown the power and kinematic reach of these observables. Here we discuss the sPHENIX detector and physics program which aims to bring full calorimetric based jet reconstruction to RHIC in order to explore the temperature dependence of the strongly interacting Quark Gluon Plasma. C1 [Sickles, Anne M.; PHENIX Collaboration] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Sickles, AM (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM anne@bnl.gov NR 17 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 446 AR UNSP 012050 DI 10.1088/1742-6596/446/1/012050 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHL93 UT WOS:000325851000050 ER PT S AU Skokov, V AF Skokov, Vladimir GP IOP TI Effective model for deconfinement at high temperature SO HOT QUARKS 2012: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 5th Workshop for Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY OCT 14-20, 2012 CL PR SP Brookhaven Natl Lab, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Int Ctr FAIR, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Natl Sci Fdn, Netherlands Org Sci Res AB In this talk I consider the deconfining phase transition at nonzero temperature in a SU(N) gauge theory, using a matrix model. I present some results including the position of the deconfining critical endpoint, where the first order transition for deconfinement is washed out by the presence of massive, dynamical quarks, and properites of the phase transition in the limit of large N. I show that the model is soluble at infinite N, and exhibits a Gross-Witten-Wadia transition. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Skokov, V (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM vskokov@quark.phy.bnl.gov OI Skokov, Vladimir/0000-0001-7619-1796 NR 9 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 446 AR UNSP 012032 DI 10.1088/1742-6596/446/1/012032 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHL93 UT WOS:000325851000032 ER PT S AU Sorensen, P AF Sorensen, P. GP IOP TI Beam Energy Scan Results from RHIC SO HOT QUARKS 2012: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 5th Workshop for Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY OCT 14-20, 2012 CL PR SP Brookhaven Natl Lab, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Int Ctr FAIR, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Natl Sci Fdn, Netherlands Org Sci Res ID QUARK-GLUON PLASMA; CHIRAL-SYMMETRY RESTORATION; HEAVY-ION COLLISIONS; COLLECTIVE FLOW; FINITE-DENSITY; CRITICAL-POINT; QCD; TEMPERATURE; TRANSITION AB In 2010 and 2011, RHIC ran the first phase of a planned beam energy scan program to probe, among other things, the nature of the phase transition between hadrons and Quark Gluon Plasma as the matter vs anti-matter excess increases. Many experimental findings are now available from that scan. In this talk, I discuss the meaning of those results and the future plans and motivation for the second phase of the RHIC beam energy scan. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Sorensen, P (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM prsorensen@bnl.gov OI Sorensen, Paul/0000-0001-5056-9391 NR 37 TC 1 Z9 1 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 446 AR UNSP 012015 DI 10.1088/1742-6596/446/1/012015 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHL93 UT WOS:000325851000015 ER PT S AU Toll, T AF Toll, Tobias GP IOP TI Understanding the nuclear initial state with an electron ion collider SO HOT QUARKS 2012: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 5th Workshop for Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY OCT 14-20, 2012 CL PR SP Brookhaven Natl Lab, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Int Ctr FAIR, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Natl Sci Fdn, Netherlands Org Sci Res ID QUARK-GLUON PLASMA; COLLABORATION; PERSPECTIVE; COLLISIONS AB In these proceedings I describe how a future electron-ion collider will allow us to directly measure the initial spatial distribution of gluons in heavy ions, as well as its variance ("lumpiness") in exclusive diffraction. I show the feasibility of such a measurement by means of simulated data from the novel event generator Sartre. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Toll, T (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM ttoll@bnl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 446 AR UNSP 012053 DI 10.1088/1742-6596/446/1/012053 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BHL93 UT WOS:000325851000053 ER PT J AU Taylor, RC Robertson, BJMW Markillie, LM Serres, MH Linggi, BE Aldrich, JT Hill, EA Romine, MF Lipton, MS Wiley, HS AF Taylor, Ronald C. Robertson, Bobbie-Jo M. Webb Markillie, Lye Meng Serres, Margrethe H. Linggi, Bryan E. Aldrich, Joshua T. Hill, Eric A. Romine, Margaret F. Lipton, Mary S. Wiley, H. Steven TI Changes in translational efficiency is a dominant regulatory mechanism in the environmental response of bacteria SO INTEGRATIVE BIOLOGY LA English DT Article ID SHEWANELLA-ONEIDENSIS MR-1; GENE-EXPRESSION; MESSENGER-RNA; ESCHERICHIA-COLI; PROTEIN EXPRESSION; CODON USAGE; URIDINE-5-OXYACETIC ACID; PROTEOMIC ANALYSES; RIBOSOMAL-RNA; ACCURATE MASS AB To understand how cell physiological state affects mRNA translation, we used Shewanella oneidensis MR-1 grown under steady state conditions at either 20% or 8.5% O-2. Using a combination of quantitative proteomics and RNA-Seq, we generated high-confidence data on > 1000 mRNA and protein pairs. By using a steady state model, we found that differences in protein-mRNA ratios were primarily due to differences in the translational efficiency of specific genes. When oxygen levels were lowered, 28% of the proteins showed at least a 2-fold change in expression. Transcription levels were sp. significantly altered for 26% of the protein changes; translational efficiency was significantly altered for 46% and a combination of both was responsible for the remaining 28%. Changes in translational efficiency were significantly correlated with the codon usage pattern of the genes and measurable tRNA pools changed in response to altered O-2 levels. Our results suggest that changes in the translational efficiency of proteins, in part due to altered tRNA pools, is a major determinant of regulated alterations in protein expression levels in bacteria. C1 [Taylor, Ronald C.; Robertson, Bobbie-Jo M. Webb] Pacific NW Natl Lab, Computat Biosci Div, Richland, WA 99352 USA. [Markillie, Lye Meng; Hill, Eric A.; Romine, Margaret F.; Lipton, Mary S.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Serres, Margrethe H.] Marine Biol Lab, Bay Paul Ctr Mol Evolut, Woods Hole, MA 02543 USA. [Linggi, Bryan E.; Aldrich, Joshua T.; Wiley, H. Steven] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Wiley, HS (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM steven.wiley@pnnl.gov RI Lipton, Mary/H-3913-2012; OI Romine, Margaret/0000-0002-0968-7641; Wiley, Steven/0000-0003-0232-6867; Taylor, Ronald/0000-0001-9777-9767 FU Genomic Science Program (GSP), Office of Biological and Environmental Research (OBER), U.S. Department of Energy (DOE); NIH [2 P41 GM103493-11] FX This research was performed in the Environmental Molecular Sciences Laboratory at the Pacific Northwest National Laboratory (PNNL) and is supported by the Genomic Science Program (GSP), Office of Biological and Environmental Research (OBER), U.S. Department of Energy (DOE), and is a contribution of the PNNL Foundational Scientific Focus Area and the Pan-omics project. This work was also funded in part by NIH grant 2 P41 GM103493-11. NR 58 TC 10 Z9 10 U1 3 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1757-9694 EI 1757-9708 J9 INTEGR BIOL-UK JI Integr. Biol. PY 2013 VL 5 IS 11 BP 1393 EP 1406 DI 10.1039/c3ib40120k PG 14 WC Cell Biology SC Cell Biology GA 239VA UT WOS:000326052600009 PM 24081429 ER PT J AU Dileo, RA Marschilok, AC Takeuchi, KJ Takeuchi, ES AF DiLeo, Roberta A. Marschilok, Amy C. Takeuchi, Kenneth J. Takeuchi, Esther S. TI Battery Electrolytes Based on Unsaturated Ring Ionic Liquids: Conductivity and Electrochemical Stability SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID SALT CONCENTRATION; LITHIUM BATTERIES; CATHODE MATERIALS; ALKYL CHAIN; CARBONATE; VISCOSITY; SOLVENT; CELLS AB Physical and electrochemical properties of electrolytes prepared from ionic liquids in combination with carbonate solvents were measured. Cation, anion, and substituent chain length effects on electrical conductivity were observed, where higher conductivities were observed with imidazolium cations, tetrafluoroborate (BF4-) anions, and shorter chain length substituents, while lower conductivities were observed with pyridinium cations, bis(trifluoromethanesulfonyl) imide (TFSI-) anions, and longer chain length substituents. High voltage stability was demonstrated by the ionic liquid based mixtures, where the majority of the mixtures demonstrated voltage stability at >= 5 V, and some demonstrated stability at >= 6 V. The development and optimization of new ionic liquid battery electrolyte systems have the potential to improve realizable energy density and safety of lithium ion battery systems. (C) 2013 The Electrochemical Society. C1 [DiLeo, Roberta A.; Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [DiLeo, Roberta A.; Marschilok, Amy C.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Takeuchi, Esther S.] Brookhaven Natl Lab, Global & Reg Solut, Upton, NY 11973 USA. RP Dileo, RA (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM amy.marschilok@stonybrook.edu; kenneth.takeuchi.1@stonybrook.edu; esther.takeuchi@stonybrook.edu RI Takeuchi, Esther/D-1825-2014; Marschilok, Amy/D-1821-2014 FU Intelligence Community Postdoctoral Research Fellowship Program; Office of the Director of National Intelligence FX This project was supported by a grant from the Intelligence Community Postdoctoral Research Fellowship Program through funding from the Office of the Director of National Intelligence. NR 38 TC 8 Z9 8 U1 1 U2 26 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 9 BP A1399 EP A1405 DI 10.1149/2.045309jes PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 220PY UT WOS:000324600600011 ER PT J AU Gurevitch, I Buonsanti, R Teran, AA Gludovatz, B Ritchie, RO Cabana, J Balsara, NP AF Gurevitch, Inna Buonsanti, Raffaella Teran, Alexander A. Gludovatz, Bernd Ritchie, Robert O. Cabana, Jordi Balsara, Nitash P. TI Nanocomposites of Titanium Dioxide and Polystyrene-Poly(ethylene oxide) Block Copolymer as Solid-State Electrolytes for Lithium Metal Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID COMPOSITE POLYMER ELECTROLYTES; X-RAY SCATTERING; MOLECULAR-WEIGHT; DENDRITIC GROWTH; ION-TRANSPORT; CELLS; NANOCRYSTALS; STABILITY; MECHANISM; FILMS AB There is considerable interest in developing solid electrolytes for rechargeable lithium batteries as they have the potential to increase both energy density due to incorporation of a lithium metal anode and safety of batteries due to the fact that they are nonflammable Block copolymers with a mechanically hard non-conducting block and a soft ion-conducting block provide an avenue for obtaining highly conducting rigid solids. In this study we add surface-modified TiO2 nanoparticles to a mixture of polystyrene-block-poly(ethylene oxide) and bis(trifluoromethane)sulfonimide lithium salt. The presence of BF4- moieties on the surface of the particles was essential for obtaining macroscopically homogeneous electrolytes; macrophase separation was observed with the same nanoparticles with surfaces covered with oleic acid. The stability of these composite electrolytes against lithium metal electrodes was tested in symmetric lithium-composite electrolyte-lithium cells. The surprising result was that electrolytes with 24 wt% nanoparticles exhibited optimum stability; the amount of charge passed before dendrite formation observed in the optimized composite electrolyte was a factor of 4.7 larger than that of the neat block copolymer electrolyte. Both tensile and shear moduli of the electrolytes were non-monotonic functions of particle concentration with peaks in the vicinity of 17 to 20 wt%. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Gurevitch, Inna; Teran, Alexander A.; Cabana, Jordi; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Buonsanti, Raffaella] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Teran, Alexander A.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Gludovatz, Bernd; Ritchie, Robert O.; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Balsara, Nitash P.] Univ Illinois, Dept Chem, Chicago, IL 60607 USA. RP Gurevitch, I (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM jcabana@uic.edu; nbalsara1@gmail.com RI Ritchie, Robert/A-8066-2008; Cabana, Jordi/G-6548-2012; Foundry, Molecular/G-9968-2014; OI Ritchie, Robert/0000-0002-0501-6998; Cabana, Jordi/0000-0002-2353-5986; Gludovatz, Bernd/0000-0002-2420-3879 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under the Batteries for Advanced Transportation Technologies (BATT) Program [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The synthesis, preparation, conductivity measurements and cycling experiments of the composite polymers 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 DE-AC02-05CH11231 under the Batteries for Advanced Transportation Technologies (BATT) Program. RSoXS experiments were performed at the Advanced Light Source, transmission electron microscopy was performed at the National Center for Electron Microscopy, TiO2 synthesis, scanning electron microscopy and TGA experiments were performed at the Molecular Foundry, mechanical testing were performed at the Division of Materials Sciences, all user facilities at Lawrence Berkeley National Laboratory supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We thank Dr. Michel Foure for suggesting the project. NR 36 TC 29 Z9 29 U1 5 U2 59 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 9 BP A1611 EP A1617 DI 10.1149/2.117309jes PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 220PY UT WOS:000324600600042 ER PT J AU Xun, SD Xiang, B Minor, A Battaglia, V Liu, G AF Xun, Shidi Xiang, Bin Minor, Andrew Battaglia, Vince Liu, Gao TI Conductive Polymer and Silicon Composite Secondary Particles for a High Area-Loading Negative Electrode SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID ULTRASONIC SPRAY-PYROLYSIS; LI-ION BATTERIES; HYDROGEN REDUCTION; LITHIUM INSERTION; ALLOY PARTICLES; PERFORMANCE; FRACTURE; BINDER; NANOPARTICLES; NANOPILLARS AB A conductive polymer and silicon nanoparticles were used to form elastic and porous micron-sized composite secondary particles using spray precipitation method. These composite secondary particles are used to fabricate a lithium-ion anode electrode. Although the Si volume changes during charge and discharge process, the composite secondary particles retain their size during these processes, to maintain a stable electrode microstructure. This dimension stability leads to improved electrode cycling stability and enhanced rate performance. (C) 2013 The Electrochemical Society. C1 [Xun, Shidi; Battaglia, Vince; Liu, Gao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Xiang, Bin; Minor, Andrew] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Xiang, Bin; Minor, Andrew] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Xun, SD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM gliu@lbl.gov RI Xiang, Bin/C-9192-2012; Foundry, Molecular/G-9968-2014 FU Assistant Secretary for Energy Efficiency, Office of Vehicle Technologies of the U.S. Department of Energy (U.S. DOE) [DE-AC02-05CH11231]; University of California, Office of the President; Office of Science, Office of Basic Energy Sciences, of the U.S. DOE [DE-AC02-05CH11231] FX This work was funded by the Assistant Secretary for Energy Efficiency, Office of Vehicle Technologies of the U.S. Department of Energy (U.S. DOE) under contract no. DE-AC02-05CH11231 under the Batteries for Advanced Transportation Technologies (BATT) Program, and by the University of California, Office of the President, through the University of California Discovery grant. Focused Ion Beam (FIB) and electron microscopy experiments were performed at the National Center for Electron Microscopy, funded by the Office of Science, Office of Basic Energy Sciences, of the U.S. DOE under Contract No. DE-AC02-05CH11231. NR 23 TC 15 Z9 15 U1 4 U2 57 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 9 BP A1380 EP A1383 DI 10.1149/2.034309jes PG 4 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 220PY UT WOS:000324600600008 ER PT J AU Izquierdo, J Kiss, A Santana, JJ Nagy, L Bitter, I Isaacs, HS Nagy, G Souto, RM AF Izquierdo, Javier Kiss, Andras Jose Santana, Juan Nagy, Livia Bitter, Istvan Isaacs, Hugh S. Nagy, Geza Souto, Ricardo M. TI Development of Mg2+ Ion-Selective Microelectrodes for Potentiometric Scanning Electrochemical Microscopy Monitoring of Galvanic Corrosion Processes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID VIBRATING ELECTRODE TECHNIQUE; MAGNESIUM ALLOYS; PURE MAGNESIUM; SPATIAL-DISTRIBUTION; NEUTRAL-CARRIER; CHLORIDE; SECM; DISSOLUTION; BEHAVIOR; PH AB The fabrication of a solid-contact, micropipette-based magnesium ion-selective micro-tipped electrode (ISME) suitable for scanning electrochemical microscopy is reported and compared against a conventional micro-tipped ISME having a conventional aqueous internal reference electrode. Measurements showed that the solid-contact ISME had a lower internal resistance and a faster response time than the one with a liquid-contact. These advantages increased the spatial distribution and improved 2D images depicting concentration distributions of Mg2+. The ability of the microelectrode to image local ionic concentration has been tested over magnesium surfaces freely corroding or galvanically coupled to iron in aqueous chloride-containing solution. Scans of magnesium ion distribution, in the absence of corrosion currents, were also made over a micro-pipette source containing a concentrated magnesium chloride gel as a source of Mg2+ and over a current source in the absence of Mg2+. From these measurements it was concluded that the potentiometric measurements over corroding surfaces were dominated by the changes in Mg2+ distributions with small electric potential contributions due to corrosion current. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Izquierdo, Javier; Jose Santana, Juan; Souto, Ricardo M.] Univ La Laguna, Dept Phys Chem, E-38200 Tenerife, Canary Islands, Spain. [Kiss, Andras; Nagy, Livia; Nagy, Geza] Univ Pecs, Fac Sci, Dept Gen & Phys Chem, H-7624 Pecs, Hungary. [Jose Santana, Juan] Univ Las Palmas Gran Canaria, Dept Proc Engn, E-35017 Las Palmas Gran Canaria, Canary Islands, Spain. [Bitter, Istvan] Budapest Univ Technol & Econ, H-1111 Budapest, Hungary. [Isaacs, Hugh S.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Souto, Ricardo M.] Univ La Laguna, Inst Univ Mat & Nanotecnol, E-38200 Tenerife, Canary Islands, Spain. RP Izquierdo, J (reprint author), Univ La Laguna, Dept Phys Chem, E-38200 Tenerife, Canary Islands, Spain. EM rsouto@ull.es RI Dept Gen & Phys Chem, Univ Pecs/K-4631-2012; Souto, Ricardo M./G-4004-2014; Santana Rodriguez, Juan Jose/C-4040-2008; OI Souto, Ricardo M./0000-0001-9429-5513; Santana Rodriguez, Juan Jose/0000-0002-3030-2195; Izquierdo Perez, Javier/0000-0003-3287-9403 FU Spanish Ministry of Science and Innovation (MICINN, Madrid) [HH2008-0011]; National Office for Research and Technology (NKTH, Budapest) [ES-25/2008 TeT]; MINECO; European Regional Development Fund (Brussels, Belgium) [CTQ2009-12459, CTQ2012-36787]; Spanish Ministry of Economy and Competitiveness (MINECO, Madrid, Programa de Formacion de Personal Investigador); Developing Competitiveness of Universities in the South Transdanubian Region [SROP-4.2.1.B-10/2/KONV-2010-0002]; U.S. Department of Energy, Divisions of Chemical and Material Sciences [DE-AC02-98CH10886] FX The authors are grateful to the Spanish Ministry of Science and Innovation (MICINN, Madrid, Accion Integrada No. HH2008-0011) and to the National Office for Research and Technology (NKTH, Budapest, research grant ES-25/2008 TeT) for the grant of a Collaborative Research Program between Hungary and Spain. J.J.S., J.I. and R.M.S. are grateful for financial support by the MINECO and the European Regional Development Fund (Brussels, Belgium) under Projects No. CTQ2009-12459 and CTQ2012-36787. A Research Training grant awarded to J.I. by the Spanish Ministry of Economy and Competitiveness (MINECO, Madrid, Programa de Formacion de Personal Investigador) is gratefully acknowledged. A.K., L.N., and G.N. acknowledge support from "Developing Competitiveness of Universities in the South Transdanubian Region (SROP-4.2.1.B-10/2/KONV-2010-0002)". H.S.I. acknowledges work supported by U.S. Department of Energy, Divisions of Chemical and Material Sciences, under the Contract No. DE-AC02-98CH10886, and the University of La Laguna for supporting his scientific visit to Tenerife (Spain). NR 50 TC 17 Z9 17 U1 3 U2 30 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 9 BP C451 EP C459 DI 10.1149/2.001310jes PG 9 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 220PY UT WOS:000324600600056 ER PT J AU Velasco-Velez, JJ Chuang, CH Han, HL Martin-Fernandez, I Martinez, C Pong, WF Shen, YR Wang, F Zhang, YG Guo, JH Salmeron, M AF Velasco-Velez, Juan J. Chuang, Cheng-Hao Han, Hui-Ling Martin-Fernandez, Inigo Martinez, Camille Pong, Way-Faung Shen, Yuen-Ron Wang, Feng Zhang, Yuegang Guo, Jinghua Salmeron, Miquel TI In-Situ XAS Investigation of the Effect of Electrochemical Reactions on the Structure of Graphene in Aqueous Electrolytes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; CARBON NANOTUBES; ELECTRONIC-STRUCTURE; RAMAN-SPECTROSCOPY; OXIDE; EDGE; GRAPHITE; SPECTRA; STORAGE; STATES AB In-situ X-ray Absorption Spectroscopy (XAS), Raman Spectroscopy, AFM and XPS have been used to investigate the effect of reactions occurring in aqueous electrolytes on the structure of a single-layer graphene produced by CVD. It was found that defects are readily and irreversibly produced by application of electrode voltages. The defects and the products were identified also by new features in the XAS spectra. Our findings show the poor stability of the CVD graphene, which could be a challenge in applications such as super-capacitors, fuel-cells, batteries and photo-catalysis. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Velasco-Velez, Juan J.; Martinez, Camille; Salmeron, Miquel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Chuang, Cheng-Hao; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Chuang, Cheng-Hao; Pong, Way-Faung] Tamkang Univ, Dept Phys, Tamsui 251, Taiwan. [Han, Hui-Ling; Shen, Yuen-Ron; Wang, Feng] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Martin-Fernandez, Inigo; Zhang, Yuegang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Martinez, Camille; Salmeron, Miquel] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Velasco-Velez, JJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mbsalmeron@lbl.gov RI Martin-Fernandez, Inigo/E-6070-2010; Zhang, Y/E-6600-2011; Foundry, Molecular/G-9968-2014; wang, Feng/I-5727-2015 OI Martin-Fernandez, Inigo/0000-0001-5388-8611; Zhang, Y/0000-0003-0344-8399; FU Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the U.S. DOE [DE-AC02-05CH11231]; Alexander von Humboldt foundation; National Science Council of Taiwan [NSC 100-2917-I-564-048, NSC 99-2119-M-032-004-MY3]; [04863] FX This was supported by the Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the U.S. DOE under Contract No. DE-AC02-05CH11231. J.J. Velasco-Velez gratefully acknowledges financial support from the Alexander von Humboldt foundation. Hui-Ling Han is grateful to the National Science Council of Taiwan for financial support under grant No. NSC 100-2917-I-564-048. WFP is grateful to the National Science Council of Taiwan for financial support under grant No. NSC 99-2119-M-032-004-MY3. Experiments at the Advanced Light Source were performed under project #04863. NR 40 TC 7 Z9 7 U1 6 U2 47 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 9 BP C445 EP C450 DI 10.1149/2.113309jes PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 220PY UT WOS:000324600600055 ER PT J AU Fairweather, JD Spernjak, D Weber, AZ Harvey, D Wessel, S Hussey, DS Jacobson, DL Artyushkova, K Mukundan, R Borup, RL AF Fairweather, Joseph D. Spernjak, Dusan Weber, Adam Z. Harvey, David Wessel, Silvia Hussey, Daniel S. Jacobson, David L. Artyushkova, Kateryna Mukundan, Rangachary Borup, Rodney L. TI Effects of Cathode Corrosion on Through-Plane Water Transport in Proton Exchange Membrane Fuel Cells SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID GAS-DIFFUSION LAYERS; RESOLUTION NEUTRON-RADIOGRAPHY; NAFION THIN-FILMS; CARBON CORROSION; MICROPOROUS LAYER; CATALYST LAYERS; PEMFC; WETTABILITY; DEGRADATION; DURABILITY AB The corrosion of carbon in the cathodes of proton-exchange-membrane fuel cells leads to electrode collapse, reduced active catalyst area, and increased surface hydrophilicity. While these effects have been linked to performance degradation over cell lifetime, the role of corrosion in the evolving water balance has not been clear. In this study, neutron imaging was used to evaluate the through-plane water distribution within several cells over the course of accelerated stress testing using potential holds and square-wave cycling. A dramatic decrease in water retention was observed in each cell after the cathode was severely corroded. The increasing hydrophilic effect of carbon surface oxidation (quantified by ex situ X-ray photoelectron spectroscopy) was overwhelmed by the drying effect of increased internal heat generation. To evaluate this mechanism, the various observed electrode changes are included in a multiphase, non-isothermal one-dimensional cell model, and the simulated alterations to cell performance and water content are compared with those observed experimentally. Simulation results are consistent with the idea that collapse and compaction of the catalyst layer is the dominant limitation to cell performance and not the lower amounts of active Pt surface area, and that higher temperature gradients result in drying out of the cell. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Fairweather, Joseph D.; Spernjak, Dusan; Mukundan, Rangachary; Borup, Rodney L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Harvey, David; Wessel, Silvia] Ballard Power Syst, Burnaby, BC V5J 5J8, Canada. [Hussey, Daniel S.; Jacobson, David L.] NIST, Phys Measurement Lab, Gaithersburg, MD 20899 USA. [Artyushkova, Kateryna] Univ New Mexico CEET, Albuquerque, NM 87131 USA. RP Fairweather, JD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jofair@lanl.gov RI Artyushkova, Kateryna/B-4709-2008; OI Artyushkova, Kateryna/0000-0002-2611-0422; Weber, Adam/0000-0002-7749-1624; Mukundan, Rangachary/0000-0002-5679-3930 FU U.S. Department of Energy Fuel Cell Technologies Office; fuel cell team lead Dimitrios Papageorgeiopolis; U.S. Department of Commerce; NIST Ionizing Radiation Division; Director's Office of NIST; NIST Center for Neutron Research; Department of Energy [DE-AI01-01EE50660]; [DE-AC02-05CH11231] FX The authors wish to acknowledge the financial support of the U.S. Department of Energy Fuel Cell Technologies Office, the fuel cell team lead Dimitrios Papageorgeiopolis, and Technology Development Managers Nancy Garland and Donna Ho, including support provided under contract DE-AC02-05CH11231 (LBNL). We also acknowledge support provided by the U.S. Department of Commerce, the NIST Ionizing Radiation Division, the Director's Office of NIST, the NIST Center for Neutron Research, and the Department of Energy through interagency agreement DE-AI01-01EE50660. We also thank Dr. John Davey for assistance with the cell design and builds at LANL, and Eli Baltic for assistance in conducting the experiments at NIST. NR 65 TC 26 Z9 26 U1 2 U2 26 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 9 BP F980 EP F993 DI 10.1149/2.024309jes PG 14 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 220PY UT WOS:000324600600088 ER PT J AU Finklea, H Chen, XK Gerdes, K Pakalapati, S Celik, I AF Finklea, Harry Chen, Xiaoke Gerdes, Kirk Pakalapati, Suryanarayana Celik, Ismail TI Analysis of SOFCs Using Reference Electrodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID OXIDE FUEL-CELLS; ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY; COMPOSITE CATHODES; EXPERIMENTAL LIMITATIONS; 3-POINT MEASUREMENTS; 3-ELECTRODE METHODS; SOLID ELECTROLYTES; CERMET ANODES; YSZ ANODE; POLARIZATION AB Reference electrodes are frequently applied to isolate the performance of one electrode in a solid oxide fuel cell. However, reference electrode simulations raise doubt to the veracity of data collected using reference electrodes. The simulations predict that the reported performance for the one electrode will frequently contain performance of both electrodes. Nonetheless, recent reports persistently treat data so collected as ideally isolated. This work confirms the predictions of the reference electrode simulations on two SOFC designs, and provides a method of validating the data measured in the 3-electrode configuration. Validation is based on the assumption that a change in gas composition to one electrode does not affect the impedance of the other electrode at open circuit voltage. This assumption is supported by a full physics simulation of the SOFC. Three configurations of reference electrode and cell design are experimentally examined using various gas flows and two temperatures. Impedance data are subjected to deconvolution analysis and equivalent circuit fitting and approximate polarization resistances of the cathode and anode are determined. The results demonstrate that the utility of reference electrodes is limited and often wholly inappropriate. Reported impedances and single electrode polarization values must be scrutinized on this basis. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Finklea, Harry; Chen, Xiaoke] W Virginia Univ, Bennett Dept Chem, Morgantown, WV 26506 USA. [Gerdes, Kirk] Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Pakalapati, Suryanarayana; Celik, Ismail] W Virginia Univ, Mech & Aerosp Engn Dept, Morgantown, WV 26506 USA. EM Harry.Finklea@mail.wvu.edu RI Pakalapati, Suryanarayana/M-7616-2016 FU RES [DE-FE0004000]; Department of Energy, National Energy Technology Laboratory, an agency of the United States Government through URS Energy & Construction, Inc. FX As part of the National Energy Technology Laboratory's Regional University Alliance (NETL-RUA), a collaborative initiative of the NETL, this technical effort was performed under the RES contract DE-FE0004000.; This project was funded by the Department of Energy, National Energy Technology Laboratory, an agency of the United States Government, through a support contract with URS Energy & Construction, Inc. Neither the United States Government nor any agency thereof, nor any of their employees, nor URS Energy & Construction, Inc., nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 66 TC 5 Z9 5 U1 3 U2 30 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 9 BP F1055 EP F1066 DI 10.1149/2.093309jes PG 12 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 220PY UT WOS:000324600600097 ER PT J AU Kreller, CR McDonald, TJ Adler, SB Crumlin, EJ Mutoro, E Ahn, SJ la O', GJ Shao-Horn, Y Biegalski, MD Christen, HM Chater, RR Kilner, JA AF Kreller, Cortney R. McDonald, T. J. Adler, Stuart B. Crumlin, Ethan J. Mutoro, Eva Ahn, Sung Jin la O', G. J. Shao-Horn, Yang Biegalski, Michael D. Christen, Hans M. Chater, Richard R. Kilner, John A. TI Origin of Enhanced Chemical Capacitance in La0.8Sr0.2CoO3-delta Thin Film Electrodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID OXIDE FUEL-CELLS; OXYGEN-REDUCTION KINETICS; ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY; ELECTRICAL-CONDUCTIVITY RELAXATION; TEMPERATURE COULOMETRIC TITRATION; PEROVSKITE-TYPE OXIDES; CATHODE MATERIALS; MODEL ELECTRODES; SURFACE; LA0.6SR0.4COO3-DELTA AB Films of La0.8Sr0.2CoO3-delta (LSC-82) with 45 and 90 nm thickness were grown epitaxially on (001) oriented single crystal yttria-stabilized zirconia with a thin gadolinium-doped ceria interlayer using pulsed laser deposition, and characterized using X-ray diffraction (XRD), depth-profile secondary mass spectrometry (DP-SIMS), and linear and nonlinear electrochemical impedance spectroscopy (EIS and NLEIS). The films were found to exhibit in-plane tensile strain and normal compressive strain (with overall increased lattice volume) relative to freestanding cubic LSC-82. The films also possess a compositional La/Sr gradient across their thickness, with enhanced Sr2+ composition (within the perovskite lattice) at the gas-exposed surface. The oxygen storage capacity of the films at 450-600 degrees C (as measured using EIS capacitance) is greatly enhanced relative to freestanding cubic LSC-82, consistent with an apparent increase in oxygen-vacancy concentration at the gas-exposed surface of the films (as revealed by NLEIS). These results can be explained by a two-layer model in which a finite thickness of the perovskite lattice near the surface has an enhanced Sr dopant concentration, leading to a much higher concentration of oxygen vacancies than the underlying bulk material of nominal Sr composition. The nonlinear electrochemical response of the film is consistent with a dissociative adsorption rate law, provided the enhanced bulk vacancy concentration near the surface is included in the analysis. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Kreller, Cortney R.; McDonald, T. J.; Adler, Stuart B.] Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. [Crumlin, Ethan J.; Mutoro, Eva; Ahn, Sung Jin; la O', G. J.; Shao-Horn, Yang] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. [Biegalski, Michael D.; Christen, Hans M.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. [Chater, Richard R.; Kilner, John A.] Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2AZ, England. RP Kreller, CR (reprint author), Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. EM stuadler@u.washington.edu RI Christen, Hans/H-6551-2013 OI Christen, Hans/0000-0001-8187-7469 FU National Science Foundation Division of Chemical, Bioengineering, Environmental, and Transport Systems (CBET) [0829171, 0844526]; U.S. Department of Energy [SISGR DE-SC0002633]; King Abdullah University of Science and Technology; U.S. Department of Energy, Basic Energy Sciences, Scientific User Facilities Division FX This work was supported in part by National Science Foundation Division of Chemical, Bioengineering, Environmental, and Transport Systems (CBET) under award numbers 0829171 and 0844526, the U.S. Department of Energy (SISGR DE-SC0002633) and King Abdullah University of Science and Technology. Work at ORNL (including contributions by MDB and HMC) was supported by the U.S. Department of Energy, Basic Energy Sciences, Scientific User Facilities Division. NR 45 TC 12 Z9 12 U1 5 U2 59 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 9 BP F931 EP F942 DI 10.1149/2.021309jes PG 12 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 220PY UT WOS:000324600600082 ER PT J AU Sun, CN More, KL Veith, GM Zawodzinski, TA AF Sun, Che-Nan More, Karren L. Veith, Gabriel M. Zawodzinski, Thomas A. TI Composition Dependence of the Pore Structure and Water Transport of Composite Catalyst Layers for Polymer Electrolyte Fuel Cells SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID GAS-DIFFUSION ELECTRODES; OXYGEN REDUCTION; PROTON CONDUCTION; MEMBRANE; PERFORMANCE; IONOMER; CARBON; FILM; CATHODES; MICROSTRUCTURE AB The material distribution, porous features, and ionomer behavior in the catalyst layer (20wt% platinum on Vulcan carbon impregnated with Nafion) of polymer electrolyte fuel cells were investigated by microscopy, nitrogen adsorption, and water uptake as a function of ionomer loading or relative humidity. As revealed by microscopy, thin ionomer coverage along the carbon surface is observed when ionomer loading is low, while for higher loading, the pore spaces among the carbon agglomerates were mostly flooded. Even at a low ionomer to carbon ratio, the micro-porosity is closed off and the BET surface area decreases by more than 50%. At 100% relative humidity, the water content in the ionomer within the I/C = 0.5 catalyst layer reaches only 4 water molecules per sulfonate, presumably due to the inhibition of swelling by the carbon filler. The resulting structures and properties in the catalyst layer induce a tortuous pathway for water or proton transport in the ionomer phase, particularly at low water content. A distinct feature is observed in the catalyst layers using differential scanning calorimetry (DSC). DSC measurements on the sub-components lead us to conclude that the feature reflects interactions between the ionomer and the carbon or the Pt particles. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Sun, Che-Nan] Case Western Reserve Univ, Dept Mat Sci & Engn, Cleveland, OH 44106 USA. [Sun, Che-Nan; More, Karren L.; Veith, Gabriel M.; Zawodzinski, Thomas A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Zawodzinski, Thomas A.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. RP Sun, CN (reprint author), Case Western Reserve Univ, Dept Mat Sci & Engn, Cleveland, OH 44106 USA. EM chenan.sun@gmail.com RI More, Karren/A-8097-2016 OI More, Karren/0000-0001-5223-9097 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; Fuel Cell Technologies Office at U.S. Department of Energy under Los Alamos National Laboratory; U.S. Department of Energy's Office of Basic Energy Science, Division of Materials Sciences and Engineering, under UT-Battelle, LLC FX We thank K. S. Reeves for preparing the microtomy samples for TEM study. TEM was conducted at ORNL's SHaRE User Facility, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. We gratefully acknowledge the support of this work by the Fuel Cell Technologies Office at U.S. Department of Energy under a subcontract from Los Alamos National Laboratory. A portion of this work was supported by the U.S. Department of Energy's Office of Basic Energy Science, Division of Materials Sciences and Engineering, under contract with UT-Battelle, LLC. NR 35 TC 9 Z9 9 U1 0 U2 29 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 9 BP F1000 EP F1005 DI 10.1149/2.055309jes PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 220PY UT WOS:000324600600090 ER PT J AU Tang, ZJ Svoboda, R Lawton, JS Aaron, DS Papandrew, AB Zawodzinski, TA AF Tang, Zhijiang Svoboda, Rachel Lawton, Jamie S. Aaron, Doug S. Papandrew, Alex B. Zawodzinski, Thomas A. TI Composition and Conductivity of Membranes Equilibrated with Solutions of Sulfuric Acid and Vanadyl Sulfate SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID REDOX-FLOW BATTERIES; POLYMER ELECTROLYTE MEMBRANES; PERFLUOROSULFONATED IONOMER MEMBRANES; WATER TRANSPORT CHARACTERISTICS; CATION-EXCHANGE MEMBRANES; PROTON CONDUCTIVITY; SULFONIC-ACID; NAFION 117; ION; PERFORMANCE AB The sulfuric acid, vanadyl (VO2+) and water equilibrium in Nafion membranes contacted by solutions containing these species is described. Of particular interest is the influence of composition on ionic transport behavior in membrane separators for an all-vanadium redox flow battery (VRFB). Ex-situ membrane conductivity measurements were conducted on Nafion 117 membranes equilibrated in electrolyte solutions of varying sulfuric acid and vanadyl ion concentrations. Electrolyte species imbibed in the membrane were analyzed by an experimental protocol including titration, ICP-OES and weight analysis. Sulfuric acid in the membrane can increase proton concentration but reduce proton mobility by reducing water content. In a mixed vanadyl/proton form Nafion, vanadyl has a mobility of 6.28 x 10(-5) cm(2) . V-1 . s(-1), much lower than proton mobility of 8.79 x 10(-4) cm(2) V-1 s(-1) in H+-form Nafion. The presence of vanadyl in Nafion can also decrease the proton mobility: u(H+) = (8.79 - 8.04 x x(VO2+)) x 10(-4)cm(2)V(-1)s(-1). With equilibration in a practical electrolyte containing 5 mol . dm(-3) total sulfate, Nafion's conductivity is decreased due to uptake of vanadyl ions. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Tang, Zhijiang; Svoboda, Rachel; Lawton, Jamie S.; Aaron, Doug S.; Papandrew, Alex B.; Zawodzinski, Thomas A.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Zawodzinski, Thomas A.] Oak Ridge Natl Lab, Phys Chem Mat Grp, Oak Ridge, TN 37831 USA. RP Tang, ZJ (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. EM tzawodzi@utk.edu FU GCEP program; NSF [NSF EPS-1004083] FX The authors gratefully acknowledge the GCEP program and the NSF-funded TN-SCORE program, NSF EPS-1004083, under Thrust 2 program for their support of this work. NR 48 TC 18 Z9 18 U1 11 U2 46 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 9 BP F1040 EP F1047 DI 10.1149/2.083309jes PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 220PY UT WOS:000324600600095 ER PT S AU Buric, M Ohodnicki, P Chorpening, B AF Buric, Michael Ohodnicki, Paul Chorpening, Benjamin BE Campo, EM Dobisz, EA Eldada, LA TI Theoretical and experimental investigation of evanescent-wave absorption sensors for extreme temperature applications SO NANOENGINEERING: FABRICATION, PROPERTIES, OPTICS, AND DEVICES X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Nanoengineering - Fabrication, Properties, Optics, and Devices X CY AUG 27-29, 2013 CL San Diego, CA SP SPIE ID SURFACE-PLASMON RESONANCE; NANOPARTICLE FILMS; SPECTROSCOPY AB Recently, significant developments in evanescent wave absorption sensors have been demonstrated for high temperature sensing applications based upon the optical responses of advanced thin film materials. We will demonstrate how such sensors can be utilized in a mode that allows for chemical or temperature sensing starting from basic theoretical considerations. We will also present experimental high temperature sensing results for fabricated sensors. Potential applications of the sensors to be discussed include a range of high temperature systems relevant for fossil energy and combustion monitoring such as industrial combustors or reaction vessels, solid oxide fuel cells, and gas turbines. in these applications, even a small increase in operating efficiency realized via careful observation of in-process parameters and implementation of realtime process controls can result in dramatic savings across the energy industry, illustrating the necessity of pursuing such techniques. It is hoped that sensors of the type described here will allow for unprecedented measurement-access to processes which present challenging hightemperature and chemically reactive environments. C1 [Buric, Michael; Chorpening, Benjamin] US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. [Ohodnicki, Paul] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Ohodnicki, Paul] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15216 USA. RP Buric, M (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. NR 15 TC 2 Z9 2 U1 0 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9666-9 J9 PROC SPIE PY 2013 VL 8816 AR UNSP 88160N DI 10.1117/12.2024167 PG 16 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BHN42 UT WOS:000325972900010 ER PT S AU Sukumar, SR Olama, MM McNair, AW Nutaro, JJ AF Sukumar, Sreenivas R. Olama, Mohammed M. McNair, Allen W. Nutaro, James J. BE Broome, BD Hall, DL Llinas, J TI Concept of Operations for Knowledge Discovery from "Big Data" Across Enterprise Data Warehouses SO NEXT-GENERATION ANALYST SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Next-Generation Analyst CY APR 29-30, 2013 CL Baltimore, MD SP SPIE DE "Big Data"; data integration; multi-agency data integration; concept of operations AB The success of data-driven business in government, science, and private industry is driving the need for seamless integration of intra and inter-enterprise data sources to extract knowledge nuggets in the form of correlations, trends, patterns and behaviors previously not discovered due to physical and logical separation of datasets. Today, as volume, velocity, variety and complexity of enterprise data keeps increasing, the next generation analysts are facing several challenges in the knowledge extraction process. Towards addressing these challenges, data-driven organizations that rely on the success of their analysts have to make investment decisions for sustainable data/information systems and knowledge discovery. Options that organizations are considering are newer storage/analysis architectures, better analysis machines, redesigned analysis algorithms, collaborative knowledge management tools, and query builders amongst many others. In this paper, we present a concept of operations for enabling knowledge discovery that data-driven organizations can leverage towards making their investment decisions. We base our recommendations on the experience gained from integrating multi-agency enterprise data warehouses at the Oak Ridge National Laboratory to design the foundation of future knowledge nurturing data-system architectures. C1 [Sukumar, Sreenivas R.; Olama, Mohammed M.; McNair, Allen W.; Nutaro, James J.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Sukumar, SR (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM sukumarsr@ornl.gov; olamahussemm@ornl.gov; mcnairaw@ornl.gov; nutarojj@ornl.gov RI freitas Junior, Jose Carlos/M-6834-2014; OI Nutaro, James/0000-0001-7360-2836 NR 16 TC 1 Z9 1 U1 0 U2 27 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9549-5 J9 PROC SPIE PY 2013 VL 8758 AR UNSP 875805 DI 10.1117/12.2016321 PG 9 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Optics SC Computer Science; Optics GA BHI31 UT WOS:000325494100003 ER PT S AU Awwal, AAS Leach, RR Datte, P Manuel, A AF Awwal, Abdul A. S. Leach, Richard R., Jr. Datte, Philip Manuel, Anastacia BE Iftekharuddin, KM Awwal, AAS Marquez, A TI Monte Carlo simulation of neutron noise effects on beam position determination at the National Ignition Facility SO OPTICS AND PHOTONICS FOR INFORMATION PROCESSING VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Optics and Photonics for Information Processing VII CY AUG 28-29, 2013 CL San Diego, CA SP SPIE DE Neutron irradiated CCD; Neutron induced Noise modeling; laser alignment; Monet Carlo simulation; fusion neutron ID CCD; IMAGES; DAMAGE AB Images obtained through charged coupled device (CCD) cameras in the National Ignition Facility (NIF) are crucial to precise alignment of the 192 laser beams to the NIF target-chamber center (TCC). Cameras in and around the target chamber are increasingly exposed to the effects of neutron radiation as the laser power is increased for high energy fusion experiments. NIF was carefully designed to operate under these conditions. The present work examines the degradation of the measured TCC camera position accuracy resulting from the effects of neutron radiation on the sensor and verifies operation within design specifications. Both synthetic and real beam images are used for measuring position degradation. Monte Carlo simulations based on camera performance models are used to create images with added neutron noise. These models predict neutron induced camera noise based on exposure estimates of the cumulative single-shot fluence in the NIF environment. The neutron induced noise images are used to measure beam positions on a target calculated from the alignment images with the added noise. The effects of this noise are also determined using noise artifacts from real camera images viewing TCC to estimate beam position uncertainty. C1 [Awwal, Abdul A. S.; Leach, Richard R., Jr.; Datte, Philip; Manuel, Anastacia] Lawrence Livermore Natl Lab, Computat Engn Div, Natl Ignit Facil, Livermore, CA 94551 USA. RP Awwal, AAS (reprint author), Lawrence Livermore Natl Lab, Computat Engn Div, Natl Ignit Facil, Livermore, CA 94551 USA. EM awwal1@llnl.gov NR 9 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9705-5 J9 PROC SPIE PY 2013 VL 8855 AR UNSP 88550L DI 10.1117/12.2026455 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA BHN51 UT WOS:000325975500021 ER PT J AU Aidhy, DS Zhang, YW Weber, WJ AF Aidhy, Dilpuneet S. Zhang, Yanwen Weber, William J. TI Stabilizing nanocrystalline grains in ceramic-oxides SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; DOPED CERIA; IONIC-CONDUCTIVITY; CUBIC-ZIRCONIA; SEGREGATION; BOUNDARIES; ALLOYS; CEO2; SIZE; TRANSPORT AB Nanocrystalline ceramic-oxides are prone to grain growth rendering their highly attractive properties practically unusable. Using atomistic simulations of ceria as a model material system, we elucidate a framework to design dopant-pinned grain boundaries that prevent this grain growth. While in metallic systems it has been shown that a large mismatch between host and dopant atomic sizes prevents grain growth, in ceramic-oxides we find that this concept is not applicable. Instead, we find that dopant-oxygen vacancy interaction, i.e., dopant migration energy in the presence of an oxygen vacancy, and dopant-oxygen vacancy binding energy are the controlling factors in grain growth. Our prediction agrees with and explains previous experimental observations. C1 [Aidhy, Dilpuneet S.; Zhang, Yanwen; Weber, William J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Zhang, Yanwen; Weber, William J.] Univ Tennessee, Knoxville, TN 37996 USA. RP Aidhy, DS (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, 1 Bethel Valley,POB 2008,MS 6138, Oak Ridge, TN 37831 USA. EM aidhyds@ornl.gov RI Weber, William/A-4177-2008 OI Weber, William/0000-0002-9017-7365 FU Materials Science of Actinides, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX This work was supported as part of the Materials Science of Actinides, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. The computer simulations were performed at the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory. NR 48 TC 5 Z9 5 U1 1 U2 44 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 43 BP 18915 EP 18920 DI 10.1039/c3cp53052c PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 238JT UT WOS:000325943200019 PM 24091931 ER PT J AU Grefe, SE Leiva, D Mastel, S Dhuey, SD Cabrini, S Schuck, PJ Abate, Y AF Grefe, Sarah E. Leiva, Daan Mastel, Stefan Dhuey, Scott D. Cabrini, Stefano Schuck, P. James Abate, Yohannes TI Near-field spatial mapping of strongly interacting multiple plasmonic infrared antennas SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID SINGLE-MOLECULE FLUORESCENCE; OPTICAL-RESPONSE; FANO RESONANCES; GOLD NANORODS; NANOANTENNAS; NANOPARTICLES; SCATTERING; LIGHT; NANOSTRUCTURES; MICROSCOPY AB Near-field dipolar plasmon interactions of multiple infrared antenna structures in the strong coupling limit are studied using scattering-type scanning near-field optical microscope (s-SNOM) and theoretical finite-difference time-domain (FDTD) calculations. We monitor in real-space the evolution of plasmon dipolar mode of a stationary antenna structure as multiple resonantly matched dipolar plasmon particles are closely approaching it. Interparticle separation, length and polarization dependent studies show that the cross geometry structure favors strong interparticle charge-charge, dipole-dipole and charge-dipole Coulomb interactions in the nanometer scale gap region, which results in strong field enhancement in cross-bowties and further allows these structures to be used as polarization filters. The nanoscale local field amplitude and phase maps show that due to strong interparticle Coulomb coupling, cross-bowtie structures redistribute and highly enhance the out-of-plane (perpendicular to the plane of the sample) plasmon near-field component at the gap region relative to ordinary bowties. C1 [Grefe, Sarah E.; Leiva, Daan; Abate, Yohannes] Calif State Univ Long Beach, Dept Phys & Astron, Long Beach, CA 90840 USA. [Mastel, Stefan] CIC NanoGUNE Consolider, Donostia San Sebastian 20018, Spain. [Dhuey, Scott D.; Cabrini, Stefano; Schuck, P. James] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Abate, Y (reprint author), Calif State Univ Long Beach, Dept Phys & Astron, Long Beach, CA 90840 USA. EM Yohannes.Abate@csulb.edu RI Foundry, Molecular/G-9968-2014; nanoGUNE, CIC/A-2623-2015 FU U.S. Army Research Office [W911NF-12-1-0076]; California State University Long Beach Graduate Research Fellowship; Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Army Research Office, Agreement Number: W911NF-12-1-0076. S. E. G. is grateful to the California State University Long Beach Graduate Research Fellowship for support. Work at the Molecular Foundry, Lawrence Berkeley National Laboratory was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 55 TC 12 Z9 12 U1 2 U2 57 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 43 BP 18944 EP 18950 DI 10.1039/c3cp53104j PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 238JT UT WOS:000325943200022 PM 24097054 ER PT J AU Kim, YS Jeon, SH Bostwick, A Rotenberg, E Ross, PN Walter, AL Chang, YJ Stamenkovic, VR Markovic, NM Noh, TW Han, S Mun, BS AF Kim, Yong Su Jeon, Sang Ho Bostwick, Aaron Rotenberg, Eli Ross, Philip N. Walter, Andrew L. Chang, Young Jun Stamenkovic, Vojislav R. Markovic, Nenad M. Noh, Tae Won Han, Seungwu Mun, Bongjin Simon TI Role of preferential weak hybridization between the surface-state of a metal and the oxygen atom in the chemical adsorption mechanism SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID PT(111); O-2; DISSOCIATION; SPECTROSCOPY; PRECURSORS; OXIDATION; PLATINUM AB We report on the chemical adsorption mechanism of atomic oxygen on the Pt(111) surface using angle-resolved-photoemission spectroscopy (ARPES) and density functional calculations. The detailed band structure of Pt(111) from ARPES reveals that most of the bands near the Fermi level are surface-states. By comparing band maps of Pt and O/Pt, we identify that d(xz) (d(yz)) and d(z)2 orbitals are strongly correlated in the surface-states around the symmetry point M and K, respectively. Additionally, we demonstrate that the s- or p-orbital of oxygen atoms hybridizes preferentially with the d(xz) (d(yz)) orbital near the M symmetry point. This weak hybridization occurs with minimal charge transfer. C1 [Kim, Yong Su; Bostwick, Aaron; Rotenberg, Eli; Walter, Andrew L.; Chang, Young Jun] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kim, Yong Su; Noh, Tae Won] Seoul Natl Univ, CFI CES, IBS, Seoul 151744, South Korea. [Kim, Yong Su; Noh, Tae Won] Seoul Natl Univ, Dept Phys & Astron, Seoul 151744, South Korea. [Jeon, Sang Ho; Han, Seungwu] Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 151744, South Korea. [Ross, Philip N.] Lawrence Berkeley Natl Lab, Mat & Mol Res Div, Berkeley, CA 94720 USA. [Walter, Andrew L.] Fritz Haber Inst Max Planck Gesell, Dept Mol Phys, D-14195 Berlin, Germany. [Chang, Young Jun] Seoul Natl Univ, Dept Phys, Seoul 130743, South Korea. [Stamenkovic, Vojislav R.; Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Mun, Bongjin Simon] ERTL Ctr, Gwangju Inst Sci & Technol, Dept Phys & Photon Sci, Kwangju 500712, South Korea. RP Han, S (reprint author), Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 151744, South Korea. EM hansw@snu.ac.kr; bsmun@gist.ac.kr RI Noh, Tae Won /K-9405-2013; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014; Walter, Andrew/B-9235-2011 OI Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643; FU Institute of Basic Science (IBS) [EM1203]; National Research Foundation of Korea (NRF); Korea government (MEST) [2009-0068720, 2012R1A1A2001745, 2009-0093818, 2010-0020416]; U.S. Department of Energy, Office of Basic Sciences [DE-AC02-05CH11231]; Center for Multiscale Energy System; Max Planck Society; GIST College's GUP Research Fund FX This was supported by the Institute of Basic Science (IBS) (EM1203) and National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) (No. 2009-0068720, 2012R1A1A2001745, Priority Research Centers Program: No. 2009-0093818, and No. 2010-0020416). Also, this work and ALS were supported by the U.S. Department of Energy, Office of Basic Sciences under Contract No. DE-AC02-05CH11231. S.H.J. and S. W. were supported by the Center for Multiscale Energy System. The first-principles computations were carried out at KISTI (KSC-2012-C3-08). A. L. W. acknowledges support from the Max Planck Society. This paper was supported by GIST College's 2013 GUP Research Fund. NR 30 TC 2 Z9 2 U1 7 U2 47 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 43 BP 19019 EP 19023 DI 10.1039/c3cp53376j PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 238JT UT WOS:000325943200031 PM 24097254 ER PT J AU Selroos, JO Cheng, H Painter, S Vidstrand, P AF Selroos, Jan-Olof Cheng, Hua Painter, Scott Vidstrand, Patrik TI Radionuclide transport during glacial cycles: Comparison of two approaches for representing flow transients SO PHYSICS AND CHEMISTRY OF THE EARTH LA English DT Article DE Glacial cycles; Fractured rock; Solute transport; Waste disposal; Sweden ID ICE-SHEET AB The effect of future, transient ice sheet movement and permafrost development on transport of radionuclides from a proposed repository site is investigated using numerical groundwater flow and radionuclide transport modelling. Two different transport approaches are compared, both utilizing groundwater flow simulations of future climate conditions. The first transport approach uses steady-state particle trajectories representing temperate climate conditions, but modifies the transport velocity along the trajectories according to the changing climate. The second approach is pseudo-transient by performing particle tracking in each individual flow field representing a given time epoch. Two different climate sequences are analyzed. First, a simplified sequence is assessed in order to understand if the two different transport approaches yield significantly different breakthrough characteristics. Second, a sequence representing conditions relevant for real safety assessment applications is considered. Results indicate that the transport approach using fixed trajectories tends to significantly over predict breakthrough during permafrost conditions relative to the pseudo-transient approach. The major difference between the two approaches is related to discharge locations. The fixed trajectory approach yields discharge locations constant in time whereas the pseudo-transient approach is characterized by discharge centres moving in time according to the different climate conditions. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Selroos, Jan-Olof] Swedish Nucl Fuel & Waste Management Co, SE-10124 Stockholm, Sweden. [Selroos, Jan-Olof] Stockholm Univ, Bert Bolin Ctr Climate Res, Dept Phys Geog & Quaternary Geol, Stockholm, Sweden. [Cheng, Hua] Flodea Consult, Stockholm, Sweden. [Painter, Scott] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Vidstrand, Patrik] TerraSolve, Floda, Sweden. RP Selroos, JO (reprint author), Swedish Nucl Fuel & Waste Management Co, Box 250, SE-10124 Stockholm, Sweden. EM jan-olof.selroos@skb.se RI Painter, Scott/C-2586-2016 OI Painter, Scott/0000-0002-0901-6987 FU Swedish Foundation for Strategic Research FX The first author gratefully acknowledges partial financial support from the Swedish Foundation for Strategic Research. Jan Rojmar (Grafiska Illustrationer Jan Rojmar) is acknowledged for help in the production of Fig. 1. Anders Lindblom and Jens-Ove Naslund (SKB) are acknowledged for help in the production of Fig. 2. NR 34 TC 3 Z9 4 U1 0 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1474-7065 J9 PHYS CHEM EARTH JI Phys. Chem. Earth PY 2013 VL 64 BP 32 EP 45 DI 10.1016/j.pce.2012.10.003 PG 14 WC Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences; Water Resources SC Geology; Meteorology & Atmospheric Sciences; Water Resources GA 237YF UT WOS:000325906900004 ER PT S AU Miller, DC Bengoechea, J Bokria, JG Koehl, M Powell, NE Smith, ME White, MD Wilson, HR Wohlgemuth, JH AF Miller, David C. Bengoechea, Jaione Bokria, Jayesh G. Koehl, Michael Powell, Nick E. Smith, Michael E. White, Michael D. Wilson, Helen Rose Wohlgemuth, John H. BE Dhere, NG Wohlgemuth, JH Lynn, KW TI Examination of an Optical Transmittance Test for Photovoltaic Encapsulation Materials SO RELIABILITY OF PHOTOVOLTAIC CELLS, MODULES, COMPONENTS, AND SYSTEMS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Reliability of Photovoltaic Cells, Modules, Components, and Systems VI CY AUG 26-29, 2013 CL San Diego, CA SP SPIE DE material characteristics; quality assurance; accelerated stress testing; reliability; polymer AB The optical transmittance of encapsulation materials is a key characteristic for their use in photovoltaic (PV) modules. Changes in transmittance with time in the field affect module performance, which may impact product warranties. Transmittance is important in product development, module manufacturing, and field power production (both immediate and long-term). Therefore, an international standard (IEC 62788-1-4) has recently been proposed by the Encapsulation Task-Group within the Working Group 2 (WG2) of the International Electrotechnical Commission (IEC) Technical Committee 82 (TC82) for the quantification of the optical performance of PV encapsulation materials. Existing standards, such as ASTM E903, are general and more appropriately applied to concentrated solar power than to PV. Starting from the optical transmittance measurement, the solar-weighted transmittance of photon irradiance, yellowness index (which may be used in aging studies to assess durability), and ultraviolet (UV) cut-off wavelength may all be determined using the proposed standard. The details of the proposed test are described. The results of a round-robin experiment (for five materials) conducted at seven laboratories to validate the test procedure using representative materials are also presented. For example, the Encapsulation Group actively explored the measurement requirements (wavelength range and resolution), the requirements for the spectrophotometer (including the integrating sphere and instrument accessories, such as a depolarizer), specimen requirements (choice of glass-superstrate and -substrate), and data analysis (relative to the light that may be used in the PV application). The round-robin experiment identified both intra-and inter-laboratory instrument precision and bias for five encapsulation materials (encompassing a range of transmittance and haze-formation characteristics). C1 [Miller, David C.; Wohlgemuth, John H.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Bengoechea, Jaione] Fundac CENER CIEMAT, Sarriguren 31621, Spain. [Bokria, Jayesh G.] Specialized Technol Resources Inc, East Windsor, CT 06088 USA. [Koehl, Michael; White, Michael D.] Fraunhofer Inst Solare Energiesyst ISE, D-79110 Freiburg, Germany. [Powell, Nick E.] Dow Corning Business & Technol Incubator, Midland, MI 48686 USA. [Smith, Michael E.] Arkema Inc, King Of Prussia, PA 19406 USA. [White, Michael D.] Dow Chem Co USA, Joseph Dr 1605, Midland, MI 48667 USA. RP Miller, DC (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM David.Miller@nrel.gov RI Bokria, Jayesh/E-4256-2010 OI Bokria, Jayesh/0000-0003-1429-5156 FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX The authors are grateful to Mikel Ezquer Mayo of Fundacion CENER-CIEMAT, Johannes Hanek of Fraunhofer ISE, and Scott Deibert and Dr. Mike Kempe of the National Renewable Energy Laboratory for their help with measurements and discussion of the results. This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. Instruments and materials are identified in this paper to describe the experiments. In no case does such identification imply recommendation or endorsement by NREL. NR 18 TC 1 Z9 1 U1 1 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9675-1 J9 PROC SPIE PY 2013 VL 8825 AR UNSP 882509 DI 10.1117/12.2024372 PG 12 WC Energy & Fuels; Optics; Physics, Applied SC Energy & Fuels; Optics; Physics GA BHN44 UT WOS:000325973200008 ER PT S AU Wohlgemuth, J Kurtz, S Sample, T Yamamichi, M AF Wohlgemuth, John Kurtz, Sarah Sample, Tony Yamamichi, Masaaki BE Dhere, NG Wohlgemuth, JH Lynn, KW TI Predicting PV Module Service Life SO RELIABILITY OF PHOTOVOLTAIC CELLS, MODULES, COMPONENTS, AND SYSTEMS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Reliability of Photovoltaic Cells, Modules, Components, and Systems VI CY AUG 26-29, 2013 CL San Diego, CA SP SPIE DE Predicting PV module service life; accelerated stress testing AB The International PV Module Quality Assurance Task Force was created in 2011 to develop a rating system that provides comparative information about the relative durability of PV modules. The identification of accelerated stress tests that can provide such comparative information is seen as a major step toward being able to predict PV module service life. This paper will describe the methodology being employed by the Task Force as well as the efforts of the ten Task Groups formed by the Task Force. Since this is an ongoing effort, this paper will serve as a progress report. C1 [Wohlgemuth, John; Kurtz, Sarah] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Sample, Tony] JRC, European Commiss, 1-21027 Ispra, Italy. [Yamamichi, Masaaki] AIST, Tsukuba, Ibaraki, Japan. RP Wohlgemuth, J (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. NR 17 TC 0 Z9 0 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9675-1 J9 PROC SPIE PY 2013 VL 8825 AR UNSP 882503 DI 10.1117/12.2027754 PG 12 WC Energy & Fuels; Optics; Physics, Applied SC Energy & Fuels; Optics; Physics GA BHN44 UT WOS:000325973200002 ER PT J AU Rolfe, BA Chun, J Joo, YL AF Rolfe, Bryan A. Chun, Jaehun Joo, Yong Lak TI Dynamics of micelle-nanoparticle systems undergoing shear: a coarse-grained molecular dynamics approach SO SOFT MATTER LA English DT Article ID ANGLE NEUTRON-SCATTERING; TRIBLOCK COPOLYMERS; AQUEOUS-SOLUTIONS; FLOW; MODEL; SUPERLATTICES; SIMULATIONS; CRYSTALS; BEHAVIOR AB Recent work has shown that polymeric micelles can template nanoparticles via interstitial sites in shear-ordered micelle solutions. In this work, we report results based on a coarse-grained molecular dynamics (CGMD) model of a solvent/polymer/nanoparticle system. Our results demonstrate the importance of polymer concentration and the micelle corona length in 2D shear-ordering of neat polymer solutions. Although our results do not show strong 3D ordering during shear, we find that cessation of shear allows the system to relax into a 3D configuration of greater order than without shear. It is further shown that this post-shear relaxation is strongly dependent on the length of the micelle corona. For the first time, we demonstrate the presence and importance of a flow disturbance surrounding micelles in simple shear flow at moderate Peclet numbers. This disturbance is similar to what is observed around simulated star polymers and ellipsoids. The extent of the flow disturbance increases as expected with a longer micelle corona length. It is further suggested that without proper consideration of these dynamics, a stable nanoparticle configuration would be difficult to obtain. C1 [Rolfe, Bryan A.; Joo, Yong Lak] Cornell Univ, Ithaca, NY USA. [Chun, Jaehun] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Joo, YL (reprint author), Cornell Univ, 120 Olin Hall, Ithaca, NY USA. EM bar72@cornell.edu; jaehun.chun@pnnl.gov; ylj2@cornell.edu FU National Science Foundation [DGE-1144153]; Department of Energy (DOE) Office of Advanced Scientific Computing Research (ASCR), Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4) FX We would like to thank National Science Foundation for funding through the National Science Foundation Graduate Research Fellowship to B. A. Rolfe under Grant No. DGE-1144153. This work was also partially supported by the Applied Mathematics Program within the Department of Energy (DOE) Office of Advanced Scientific Computing Research (ASCR) as part of the Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4). NR 35 TC 2 Z9 2 U1 0 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 43 BP 10294 EP 10305 DI 10.1039/c3sm52194j PG 12 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 238ZD UT WOS:000325990000010 ER PT J AU Griffin, PJ Sangoro, JR Wang, Y Holt, AP Novikov, VN Sokolov, AP Wojnarowska, Z Paluch, M Kremer, F AF Griffin, Philip J. Sangoro, Joshua R. Wang, Yangyang Holt, Adam P. Novikov, Vladimir N. Sokolov, Alexei P. Wojnarowska, Zaneta Paluch, Marian Kremer, Friedrich TI Dynamic crossover and the Debye-Stokes-Einstein relation in liquid N,N-diethyl-3-methylbenzamide (DEET) SO SOFT MATTER LA English DT Article ID GLASS-FORMING LIQUIDS; SUPERCOOLED LIQUIDS; DIELECTRIC-RELAXATION; TRANSLATIONAL DIFFUSION; TEMPERATURE-DEPENDENCE; MOLECULAR LIQUIDS; LIGHT-SCATTERING; HIGH-PRESSURE; TRANSITION; VISCOSITY AB The dynamic glass transition in the molecular liquid DEET is investigated in wide temperature and pressure ranges using depolarized dynamic light scattering (DDLS), broadband dielectric spectroscopy (BDS), calorimetry, and rheology. It is found that the viscosity and structural alpha relaxation rates all exhibit an identical type of thermal activation in the measured temperature and pressure ranges. In addition, it is shown that these characteristic quantities exhibit a dynamic crossover at 240 +/- 5 K at ambient pressure. Contrary to recent assertions in the literature, it is demonstrated that the dynamic crossover by no means generally implies a violation of the Debye-Stokes-Einstein relation in molecular glass forming liquids. C1 [Griffin, Philip J.; Holt, Adam P.; Sokolov, Alexei P.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Sangoro, Joshua R.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Wang, Yangyang; Sokolov, Alexei P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA. [Novikov, Vladimir N.; Sokolov, Alexei P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Wojnarowska, Zaneta; Paluch, Marian] Silesian Univ, Inst Phys, PL-40007 Katowice, Poland. [Kremer, Friedrich] Univ Leipzig, Inst Expt Phys, D-04103 Leipzig, Germany. RP Griffin, PJ (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM pgriffi5@utk.edu; jsangoro@utk.edu RI Griffin, Philip/G-8093-2014; Griffin, Philip/K-3976-2013; Wang, Yangyang/A-5925-2010; Sangoro, Joshua/A-6573-2011 OI Wang, Yangyang/0000-0001-7042-9804; Sangoro, Joshua/0000-0002-5483-9528 FU NSF [CHE-1213444]; DOE BES; Alexander von Humboldt Foundation; German Research Foundation (DFG); National Science Centre [DEC-2012/04/A/ST3/00337] FX The UT team thanks NSF Chemistry program for the financial support under grant (CHE-1213444). J. R. S acknowledges DOE BES and the Alexander von Humboldt Foundation for financial support through the Feodor-Lynen Research Fellowship. F. K. gratefully acknowledges the German Research Foundation (DFG) for financial support. M. P. and Z. W. are grateful for the financial support provided by the National Science Centre within the framework of the Maestro2 project (Grant no. DEC-2012/04/A/ST3/00337). NR 55 TC 5 Z9 5 U1 3 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 43 BP 10373 EP 10380 DI 10.1039/c3sm51565f PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 238ZD UT WOS:000325990000018 ER PT B AU Babu, NK Cross, CE AF Babu, N. Kishore Cross, C. E. BE DebRoy, T David, SA DuPont, JN Koseki, T Bhadeshia, HK TI Influence of Aluminum Content on Grain Refinement and Strength of AZ31 Magnesium GTA Weld Metal SO TRENDS IN WELDING RESEARCH: PROCEEDINGS OF THE 9TH INTERNATIONAL CONFERENCE LA English DT Proceedings Paper CT 9th International Conference on Trends in Welding Research CY JUN 04-08, 2012 CL Chicago, IL SP ASM Int DE AZ31; magnesium alloy; weld metal; grain refinement; growth restriction factor; aluminum content ID ALLOYS; MICROSTRUCTURE; BEHAVIOR; MODEL AB Gas-tungsten arc (GTA) welds were prepared on 3 mm thick sheets of continuous cast and rolled AZ31 magnesium alloy, welding over pre-placed die-cast inserts of magnesium alloys (AM20, AM50, AM60 and AZ91) in order to systematically vary the aluminum content in the weld metal. Microstructure and compositional analysis of the weld metal was examined using optical and scanning electron microscopy (HR-SEM, EBSD and EDS/X). The results showed that the average weld metal grain size decreased from 74 to 41 mu m as the aluminum content increased from 2.4 to 5.0 wt.%. This observed grain refinement is believed related to the increased constitutional undercooling associated with higher aluminum content. Weld strength and hardness, and to limited extent ductility, were also observed to increase with aluminum content, as determined from cross-weld tensile tests. C1 [Babu, N. Kishore] Singapore Inst Mfg Technol, Singapore, Singapore. [Cross, C. E.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Babu, NK (reprint author), Singapore Inst Mfg Technol, Singapore, Singapore. EM nkishorebabu@gmail.com; cecross@lanl.gov FU Adolf Martens Fellowship FX The authors are grateful to BAM (Berlin, Gemany) where this work was performed with funding from an Adolf Martens Fellowship. NR 27 TC 1 Z9 1 U1 2 U2 2 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-62708-998-2 PY 2013 BP 91 EP + PG 3 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BHJ89 UT WOS:000325662400013 ER PT B AU Schempp, P Pittner, A Rethmeier, M Tang, Z Seefeld, T Cross, CE AF Schempp, P. Pittner, A. Rethmeier, M. Tang, Z. Seefeld, T. Cross, C. E. BE DebRoy, T David, SA DuPont, JN Koseki, T Bhadeshia, HK TI Influence of Alloy and Solidification Parameters on Grain Refinement in Aluminum Weld Metal due to Inoculation SO TRENDS IN WELDING RESEARCH: PROCEEDINGS OF THE 9TH INTERNATIONAL CONFERENCE LA English DT Proceedings Paper CT 9th International Conference on Trends in Welding Research CY JUN 04-08, 2012 CL Chicago, IL SP ASM Int DE Aluminum; LBW; GTAW; Grain refinement; Alloy 1050A; Alloy 5083; Alloy 6082; Al Ti5B1 ID HOT CRACKING; NUCLEANT PARTICLES; GTA WELDS; WELDABILITY; POTENCY; GROWTH; MODEL AB Refinement of the weld metal grain structure can improve the mechanical properties of the weld and decrease the susceptibility to solidification cracking of the weld metal. In this study, commercial Al Ti5B1 grain refiner was used to refine the microstructure of LB (laser beam) and GTA (gas tungsten arc) aluminum welds by inoculation. The grain refiner additions led to a significant decrease in the weld metal mean grain size whereby a transition from columnar to equiaxed grain structure (Columnar to Equiaxed Transition, CET) was observed. The development of both grain size and shape depended upon the base metal (Al alloys 1050A, 5083 and 6082) and upon the welding process. The GTA welding process allowed a more pronounced and a more efficient refinement than in LB welds. Furthermore, the influence of the solidification conditions on the CET was investigated through temperature measurements in the weld metal. The temperature profiles revealed a faster solidification of LB welds than in GTA welds. The results from the temperature measurements were also used to estimate (according to an existing model) the critical thermal gradient at which the CET occurs. C1 [Schempp, P.; Pittner, A.; Rethmeier, M.] BAM Fed Inst Mat Res, Berlin, Germany. [Tang, Z.; Seefeld, T.] BIAS Bremer Inst Strahitech, Berlin, Germany. [Cross, C. E.] Los Alamos Natl Labs, Los Alamos, NM USA. RP Schempp, P (reprint author), BAM Fed Inst Mat Res, Berlin, Germany. EM Philipp.Schempp@bam.de; Andreas.Pittner@bam.de; Michael.Rethmeier@bam.de; Tang@bias.de; Seefeld@bias.de; CECross@lanl.gov RI Rethmeier, Michael/B-9847-2009 OI Rethmeier, Michael/0000-0001-8123-6696 FU German Federal Ministry of Economics and Technology [16.242 N] FX The authors are thankful to the Research Association on Welding and Allied Processes of the DVS (Germany) for their support and to the Program for Founding of Industrial Research and Technology (IGF) of the German Federal Ministry of Economics and Technology for funding the research project 16.242 N. NR 41 TC 0 Z9 0 U1 1 U2 8 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-62708-998-2 PY 2013 BP 98 EP + PG 3 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BHJ89 UT WOS:000325662400014 ER PT B AU Chen, J Zhang, W Yu, ZZ Feng, ZL AF Chen, Jian Zhang, Wei Yu, Zhenzhen Feng, Zhili BE DebRoy, T David, SA DuPont, JN Koseki, T Bhadeshia, HK TI Automated Spot Weld Inspection using Infrared Thermography SO TRENDS IN WELDING RESEARCH: PROCEEDINGS OF THE 9TH INTERNATIONAL CONFERENCE LA English DT Proceedings Paper CT 9th International Conference on Trends in Welding Research CY JUN 04-08, 2012 CL Chicago, IL SP ASM Int DE Resistance spot welding; non-destructive testing; infrared thermography; advanced high-strength steels ID QUALITY INSPECTION AB An automated non-contact and non-destructive resistance spot weld inspection system based on infrared (IR) thermography was developed for post-weld applications. During inspection, a weld coupon was heated up by an auxiliary induction heating device from one side of the weld, while the resulting thermal waves on the other side were observed by an IR camera. The IR images were analyzed to extract a thermal signature based on normalized heating time, which was then quantitatively correlated to the spot weld nugget size. The use of normalized instead of absolute IR intensity was found to be useful in minimizing the sensitivity to the unknown surface conditions and environment interference. Application of the IR-based inspection system to different advanced high strength steels, thickness gauges and coatings were discussed. C1 [Chen, Jian; Zhang, Wei; Yu, Zhenzhen; Feng, Zhili] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Chen, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM chenj2@ornl.gov; zhangw@ornl.gov; yuz1@ornl.gov; fengz@ornl.gov RI Feng, Zhili/H-9382-2012; Zhang, Wei/B-9471-2013 OI Feng, Zhili/0000-0001-6573-7933; NR 9 TC 2 Z9 2 U1 0 U2 3 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-62708-998-2 PY 2013 BP 148 EP 151 PG 4 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BHJ89 UT WOS:000325662400020 ER PT B AU Yu, ZZ Feng, ZL An, K Zhang, W Specht, ED Chen, J Wang, XL David, S AF Yu, Zhenzhen Feng, Zhili An, Ke Zhang, Wei Specht, Eliot D. Chen, Jian Wang, Xun-li David, Stan BE DebRoy, T David, SA DuPont, JN Koseki, T Bhadeshia, HK TI In-situ neutron diffraction study of non-equilibrium phase transformation in advanced high-strength steels SO TRENDS IN WELDING RESEARCH: PROCEEDINGS OF THE 9TH INTERNATIONAL CONFERENCE LA English DT Proceedings Paper CT 9th International Conference on Trends in Welding Research CY JUN 04-08, 2012 CL Chicago, IL SP ASM Int DE Phase transformation; AHSS steels; neutron diffraction; martensite; ferrite ID POWDER DIFFRACTION; AUSTENITE; PERFORMANCE; COMPOSITES; BEHAVIOR; WELDS AB The effect of heating rate on the phase transformation kinetics from ferrite (alpha) and martensite (alpha(M)) to austenite (gamma) in advanced high-strength steels (AHSS) was investigated. With the unique stroboscopic pump-probe neutron diffraction technique, a time-resolution of 0.1 second or less, corresponding to a time increment of 3 degrees C or less, was achieved. A trend was clearly observed indicating that higher heating rate causes a wider and higher temperature range for the alpha to gamma transformation. The lattice spacing change associated with the austenite formation on heating was obtained as well, which decreases at the early stage of transformation process and increases at the latter stage as a function of temperature. The kinetics governing such observed non-equilibrium phase transformation phenomena is discussed. C1 [Yu, Zhenzhen; Feng, Zhili; An, Ke; Zhang, Wei; Specht, Eliot D.; Chen, Jian; Wang, Xun-li; David, Stan] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yu, ZZ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM yuz1@ornl.gov; fengz@ornl.gov; kean@ornl.gov; zhangw@ornl.gov; spechted@ornl.gov; chenj2@ornl.gov; wangxl@ornl.gov; davidsa1@ornl.gov RI Feng, Zhili/H-9382-2012; Zhang, Wei/B-9471-2013; An, Ke/G-5226-2011; Wang, Xun-Li/C-9636-2010; Specht, Eliot/A-5654-2009 OI Feng, Zhili/0000-0001-6573-7933; An, Ke/0000-0002-6093-429X; Wang, Xun-Li/0000-0003-4060-8777; Specht, Eliot/0000-0002-3191-2163 NR 18 TC 1 Z9 1 U1 1 U2 5 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-62708-998-2 PY 2013 BP 506 EP 509 PG 4 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BHJ89 UT WOS:000325662400068 ER PT B AU Yu, ZZ Feng, ZL An, K Zhang, W Specht, ED Chen, J Wang, XL David, S AF Yu, Zhenzhen Feng, Zhili An, Ke Zhang, Wei Specht, Eliot D. Chen, Jian Wang, Xun-li David, Stan BE DebRoy, T David, SA DuPont, JN Koseki, T Bhadeshia, HK TI Measurement of Steel Phase Transformation Kinetics by Dilatometry and In-Situ Neutron Diffraction - A Comparative Study SO TRENDS IN WELDING RESEARCH: PROCEEDINGS OF THE 9TH INTERNATIONAL CONFERENCE LA English DT Proceedings Paper CT 9th International Conference on Trends in Welding Research CY JUN 04-08, 2012 CL Chicago, IL SP ASM Int DE Phase transformation; dilatometry; neutron diffraction ID HIGH-STRENGTH STEELS; X-RAY-DIFFRACTION; POWDER DIFFRACTION; AUSTENITE; COMPOSITES; BEHAVIOR AB Solid-state phase transformation kinetics between ferrite (alpha) and austenite (gamma) phases in a C-Mn steel were investigated by the dilatometry and in-situ neutron diffraction methods, respectively. Dilatometry is commonly used to study the phase transformation kinetics. It infers the allotropic phase transformation from the overall dimensional changes, e.g., the diameter changes of the specimen, during heating and/or cooling. In this regard, it is an indirect measurement technique. Alternatively, neutron diffraction directly detects and measures the individual phases as they present during different stages of phase transformation. A comparative study was made in this work between the dilatometry and the in-situ neutron diffraction methods. The comparison shows that dilatometry analysis would cause the under-estimation of austenite phase evolution as a function of temperature due to the drastic deviation of linear expansion assumption of austenite as function of temperature. C1 [Yu, Zhenzhen; Feng, Zhili; An, Ke; Zhang, Wei; Specht, Eliot D.; Chen, Jian; Wang, Xun-li; David, Stan] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yu, ZZ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM yuz1@ornl.gov; fengz@ornl.gov; kean@ornl.gov; zhangw@ornl.gov; spechted@ornl.gov; chenj2@ornl.gov; wangxl@ornl.gov; davidsa1@ornl.gov RI Feng, Zhili/H-9382-2012; Zhang, Wei/B-9471-2013; An, Ke/G-5226-2011; Specht, Eliot/A-5654-2009; Wang, Xun-Li/C-9636-2010 OI Feng, Zhili/0000-0001-6573-7933; An, Ke/0000-0002-6093-429X; Specht, Eliot/0000-0002-3191-2163; Wang, Xun-Li/0000-0003-4060-8777 NR 15 TC 0 Z9 0 U1 0 U2 5 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-62708-998-2 PY 2013 BP 510 EP 513 PG 4 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BHJ89 UT WOS:000325662400069 ER PT B AU Chen, J Zhang, W Yu, ZZ Feng, ZL Cai, W AF Chen, Jian Zhang, Wei Yu, Zhenzhen Feng, Zhili Cai, Wayne BE DebRoy, T David, SA DuPont, JN Koseki, T Bhadeshia, HK TI Determination of Thermal Contact Conductance of Metal Tabs for Battery Ultrasonic Welding Process SO TRENDS IN WELDING RESEARCH: PROCEEDINGS OF THE 9TH INTERNATIONAL CONFERENCE LA English DT Proceedings Paper CT 9th International Conference on Trends in Welding Research CY JUN 04-08, 2012 CL Chicago, IL SP ASM Int DE Thermal contact conductance; ultrasonic welding and battery assembly ID JOINT RESISTANCE AB A new experimental apparatus and data analysis algorithm were used to determine the thermal contact conductance between 0.2-mm-thick pure aluminum battery tabs as a function of contact pressure from 3.6 to 14.4 MPa. Specimens were sandwiched between one optically transparent and one infrared (I) transparent glass windows, and heated up from one side by an intense short pulse of flash light. The temperature on the other side was measured by an IR camera. In order to determine the thermal contact conductance, two experiment configurations having different numbers of Al specimen layers were used. Numerical heat conduction simulations showed that the thermal contact conductance strongly depended on the ratio of the maximum temperature rise between the two configurations. Moreover, this ratio was not sensitive to the uncertainties of other thermal properties. Through the simulation results, a simple correlation between the gap conductance and the ratio was established. Therefore, once the ratio of the temperature rise between two configurations would be experimentally measured, the thermal contact conductance could be readily determined from the correlation. The new method was fast and robust. Most importantly, the data analysis algorithm improved the measurement accuracy by considerably reducing the uncertainties associated with the thermophysical properties of materials and measurement system. C1 [Chen, Jian; Zhang, Wei; Yu, Zhenzhen; Feng, Zhili] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Chen, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM chenj2@ornl.gov; zhangw@ornl.gov; yuz1@ornl.gov; fengz@ornl.gov; wayne.cai@gm.com RI Feng, Zhili/H-9382-2012; Zhang, Wei/B-9471-2013 OI Feng, Zhili/0000-0001-6573-7933; NR 9 TC 0 Z9 0 U1 0 U2 5 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-62708-998-2 PY 2013 BP 717 EP 721 PG 5 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BHJ89 UT WOS:000325662400099 ER PT B AU Zhang, W Miller, RG AF Zhang, Wei Miller, Roger G. BE DebRoy, T David, SA DuPont, JN Koseki, T Bhadeshia, HK TI Theoretical Assessment of Dissimilar Metal Joint of Titanium to Stainless Steel SO TRENDS IN WELDING RESEARCH: PROCEEDINGS OF THE 9TH INTERNATIONAL CONFERENCE LA English DT Proceedings Paper CT 9th International Conference on Trends in Welding Research CY JUN 04-08, 2012 CL Chicago, IL SP ASM Int DE Thermal-stress; Diffusion; Dissimilar metal joint; Titanium; Austenitic stainless steel ID INTERLAYER; 304-STAINLESS-STEEL; TI-6AL-4V; ALLOY AB Direct joining of titanium to stainless steel poses some unique challenges because of a lack of metallurgical compatibility and the formation of brittle intermetallic compounds between the two metals. In the first half of this paper, a literature review is provided to assess various existing joining methods (such as explosive welding, diffusion bonding, and brazing) utilizing different interlayer metals (e.g., copper, silver and nickel). The joint strength achieved by different methods is compared. In the second half of the paper, the in-service behaviors of the dissimilar joint are evaluated based on theoretical calculations. A finite element method based model is used to calculate the thermal-stress distribution in the dissimilar metal joint. For simplicity, the residual stresses from the joining process are not considered. In addition, the chemical stability of the joint is evaluated based on the inter-diffusion of alloying elements. It is found that the mismatch of coefficient of thermal expansion has a prominent effect on the thermal-stresses. The interlayer metal can be effective in deterring the inter-diffusion between titanium and stainless steel. C1 [Zhang, Wei; Miller, Roger G.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Zhang, W (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM zhangw@ornl.gov; millerrg@ornl.gov RI Zhang, Wei/B-9471-2013 NR 16 TC 0 Z9 0 U1 0 U2 6 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-62708-998-2 PY 2013 BP 770 EP 774 PG 5 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BHJ89 UT WOS:000325662400107 ER PT B AU Clark, DE Mizia, RE Glazoff, MV Patterson, MW AF Clark, Denis E. Mizia, Ronald E. Glazoff, Michael V. Patterson, Michael W. BE DebRoy, T David, SA DuPont, JN Koseki, T Bhadeshia, HK TI Diffusion Welding of Compact Heat Exchangers for Nuclear Applications SO TRENDS IN WELDING RESEARCH: PROCEEDINGS OF THE 9TH INTERNATIONAL CONFERENCE LA English DT Proceedings Paper CT 9th International Conference on Trends in Welding Research CY JUN 04-08, 2012 CL Chicago, IL SP ASM Int DE Diffusion welding; compact heat exchanger; printed circuit heat exchanger; Gleeble AB Diffusion welding is a useful technique for assembling plate-type heat exchangers. The present work examines the diffusion welding characteristics of alloys of interest in advanced energy systems, including Alloy 800H (similar to 45Fe-35Ni-20Cr), Alloy 617 (similar to 55Ni-22Cr-12Co-9Mo-2Fe), Alloy N (similar to 71Ni-17Mo-7Cr-5Fe), and Alloy 242 (similar to 67Ni-25Mo-8Cr). A diffusion welding procedure was developed for the Gleeble thermomechanical testing machine, which allowed the critical welding parameters for diffusion welding to be explored efficiently. Stacks composed of many sheets were also welded in a vacuum hot press. Composition profiles across the finished joints were measured with SEM X-ray spectroscopy, and compared with models developed with Thermocalc/DICTRA to evaluate such modeling as a tool for rapid parameter development, and agreement was generally good. Appropriate surface treatments were found to be critical to achieving good mechanical properties, which were typically >90% of base metal properties. Diffusion welds in these alloys led to fully integrated grain structures across the previous joint. In addition, slight differences in diffusion with crystallographic direction were noted. C1 [Clark, Denis E.; Mizia, Ronald E.; Glazoff, Michael V.; Patterson, Michael W.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Clark, DE (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Denis.Clark@inl.gov NR 9 TC 0 Z9 0 U1 0 U2 2 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-62708-998-2 PY 2013 BP 775 EP 783 PG 9 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BHJ89 UT WOS:000325662400108 ER PT S AU Siegmund, OHW Richner, N Gunjala, G McPhate, JB Tremsin, AS Frisch, HJ Elam, J Mane, A Wagner, R Craven, CA Minot, MJ AF Siegmund, O. H. W. Richner, N. Gunjala, G. McPhate, J. B. Tremsin, A. S. Frisch, H. J. Elam, J. Mane, A. Wagner, R. Craven, C. A. Minot, M. J. BE Siegmund, OH TI Performance Characteristics of Atomic Layer Functionalized Microchannel Plates SO UV, X-RAY, AND GAMMA-RAY SPACE INSTRUMENTATION FOR ASTRONOMY XVIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on UV, X-Ray, and Gamma-Ray Space Instrumentation for Astronomy XVIII CY AUG 25-26, 2013 CL San Diego, CA SP SPIE DE Microchannel Plate; Imaging; Photon Counting ID RESOLUTION; DETECTORS AB Microchannel plates that have been constructed by atomic layer deposition of resistive and secondary emissive layers, onto borosilicate glass microcapillary arrays provide a novel alternative to conventional microchannel plates for detection of radiation and particles. Conventional microchannel plates can also benefit from atomic layer deposition of highly efficient secondary emissive layers. Our evaluations of these techniques have revealed unique features of atomic layer functionalized microchannel plates, including enhanced stability and lifetime, low background rates, and low levels of adsorbed gas. In addition borosilicate glass microcapillary arrays show enhanced physical and thermal robustness, which makes it possible to successfully fabricate large area devices (20 cm) with good uniformity of operational characteristics. C1 [Siegmund, O. H. W.; Richner, N.; Gunjala, G.; McPhate, J. B.; Tremsin, A. S.] Univ Calif Berkeley, Space Sci Lab, Expt Astrophys Grp, 7 Gauss Way, Berkeley, CA 94720 USA. [Frisch, H. J.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Elam, J.; Mane, A.; Wagner, R.] Argonne Natl Lab, Argonne, IL 60439 USA. [Craven, C. A.; Minot, M. J.] Incom Inc, Charlestown, MA 01507 USA. RP Siegmund, OHW (reprint author), Univ Calif Berkeley, Space Sci Lab, Expt Astrophys Grp, 7 Gauss Way, Berkeley, CA 94720 USA. FU DOE [DE-AC02-06CH11357]; NASA [NNX11AD54G] FX We wish to thank J. Hull, J. Tedesco, and S. Jelinsky for their contributions to this work. This work was supported by under DOE contract DE-AC02-06CH11357, and NASA grant NNX11AD54G. NR 18 TC 7 Z9 7 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9709-3 J9 PROC SPIE PY 2013 VL 8859 AR UNSP 88590Y DI 10.1117/12.2024919 PG 12 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BHN47 UT WOS:000325974100028 ER PT S AU Tremsin, AS Hull, JS Siegmund, OHW McPhate, JB Vallerga, JV Dabiran, AM Mane, A Elam, J AF Tremsin, Anton S. Hull, Jeffrey S. Siegmund, Oswald H. W. McPhate, Jason B. Vallerga, John V. Dabiran, Amir M. Mane, Anil Elam, Jeff BE Siegmund, OH TI Opaque Gallium Nitride Photocathodes in UV Imaging Detectors with Microchannel Plates SO UV, X-RAY, AND GAMMA-RAY SPACE INSTRUMENTATION FOR ASTRONOMY XVIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on UV, X-Ray, and Gamma-Ray Space Instrumentation for Astronomy XVIII CY AUG 25-26, 2013 CL San Diego, CA SP SPIE DE Gallium Nitride; Photocathodes; Photon counting; Microchannel Plate; High Resolution ID NEGATIVE ELECTRON-AFFINITY; DELAY-LINE DETECTORS; GAN PHOTOCATHODE AB The optimization and performance of opaque Galium Nitride (GaN) photocathodes deposited directly on novel Microchannel Plates (MCPs) are presented in this paper. The novel borosilicate glass MCPs, which are manufactured with the help of Atomic Layer Deposition, can withstand higher temperatures enabling direct deposition of GaN films on their surfaces. The quantum efficiency of MBE-grown GaN photocathodes of various thickness and buffer layers was studied in the spectral range of similar to 200-400 nm for the films grown on different surface layers (such as Al2O3 or buffer AlN layer) in order to determine the optimal opaque photocathode configuration. The MCPs with the GaN photocathodes were activated with surface cesiation in order to achieve the negative Electron Affinity for the efficient photon detection. The opaque photocathodes enable substantial broadening of the spectral sensitivity range compared to the semitransparent configuration when the photocathodes are deposited on the input window. The design of currently processed sealed tube event counting detector with an opaque GaN photocathode are also described in this paper. Our experiments demonstrate that although there is still development work required the detection quantum efficiencies exceeding 20% level should be achievable in 200-400 nm range and >50% in 100-200 nm range for the event counting MCP detectors with high spatial resolution (better than 50 mu m) and timing resolution of <100 ps and very low background levels of only few events cm(-2) s(-1). C1 [Tremsin, Anton S.; Hull, Jeffrey S.; Siegmund, Oswald H. W.; McPhate, Jason B.; Vallerga, John V.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Dabiran, Amir M.] SVT Assoc Inc, Eden Prairie, MN 55344 USA. [Mane, Anil; Elam, Jeff] Argonne Natl Lab, Argonne, IL 60439 USA. RP Tremsin, AS (reprint author), Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. FU NASA [NNG06GD46G, NNX09AF73G] FX This work was partially supported by NASA under Grants NNG06GD46G and NNX09AF73G. NR 32 TC 2 Z9 2 U1 0 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9709-3 J9 PROC SPIE PY 2013 VL 8859 AR UNSP 88590X DI 10.1117/12.2025185 PG 10 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BHN47 UT WOS:000325974100027 ER PT J AU Wu, SJ Wang, SA Polinski, MJ Depmeier, W Albrecht-Schmitt, TE Alekseev, EV AF Wu, Shijun Wang, Shuao Polinski, Matthew J. Depmeier, Wulf Albrecht-Schmitt, Thomas E. Alekseev, Evgeny V. TI A new low temperature route to uranyl borates with structural variations SO ZEITSCHRIFT FUR KRISTALLOGRAPHIE LA English DT Article DE Borates; Uranium; Molten flux; High temperature synthesis; Mild temperature synthesis ID BOND-VALENCE PARAMETERS; NUCLEAR-WASTE GLASS; NEPTUNIUM INCORPORATION; CRYSTAL-STRUCTURES; URANIUM; PLUTONIUM(III); ACTINIDES; INSIGHTS; BEHAVIOR; REPOSITORIES AB Three new uranyl borates, K(UO2)(BO3) (1), Rb(UO2)(BO3) (2) and Cs(UO2)(BO3) (3) have been prepared using B2O3 fluxes at 1000 degrees C. 1 and 3 can also be synthesized using potassium tetraborate tetrahydrate as a molten flux at 290 degrees C, which provides a new low temperature route to prepare actinide borates. 1 possesses an alpha-uranophane anion sheet topology identical to that in the previously reported compounds Li(UO2)(BO3) and Na(UO2)(BO3). 2 and 3 display a new [UO5](infinity) anion topology with a basic building block of edge-sharing dimers comprised of (UO7)(2) polyhedra. The A(UO2)(BO3) (A = alkali metal) series shows a systematic structural evolution, which will be discussed in the main text. C1 [Wu, Shijun; Depmeier, Wulf] Univ Kiel, Inst Geowissensch, D-24118 Kiel, Germany. [Wu, Shijun] Chinese Acad Sci, Guangzhou Inst Geochem, Guangzhou 510640, Guangdong, Peoples R China. [Wu, Shijun; Alekseev, Evgeny V.] Forschungszentrum Julich, Inst Energy & Climate Res IEK 6, D-52428 Julich, Germany. [Wang, Shuao; Polinski, Matthew J.] Univ Notre Dame, Dept Civil Engn & Geol Sci, Notre Dame, IN 46556 USA. [Wang, Shuao; Polinski, Matthew J.] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA. [Wang, Shuao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Actinide Chem Grp, Berkeley, CA 94720 USA. [Wang, Shuao] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Albrecht-Schmitt, Thomas E.] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. [Alekseev, Evgeny V.] Rhein Westfal TH Aachen, Inst Kristallog, D-52066 Aachen, Germany. RP Albrecht-Schmitt, TE (reprint author), Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. EM albrecht-schmitt@chem.fsu.edu; e.alekseev@fz-juelich.de RI Wu, Shijun/B-1016-2010; OI Wu, Shijun/0000-0003-0343-3322; Alekseev, Evgeny/0000-0002-4919-5211 FU Deutsche Forschungsgemeinschaft [DE 412/43-1]; Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, Heavy Elements Program, U.S. Department of Energy [DE-SC0002215]; Helmholtz Association [VH-NG-815]; National Natural Sciences Foundation of China [41103055] FX We are grateful for the support provided by Deutsche Forschungsgemeinschaft (DE 412/43-1), Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, Heavy Elements Program, U.S. Department of Energy (DE-SC0002215), Helmholtz Association (VH-NG-815) and National Natural Sciences Foundation of China (41103055). NR 57 TC 1 Z9 1 U1 1 U2 12 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0044-2968 J9 Z KRISTALLOGR JI Z. Kristall. PY 2013 VL 228 IS 9 BP 429 EP 435 DI 10.1524/zkri.2013.1616 PN 1 PG 7 WC Crystallography SC Crystallography GA 235DV UT WOS:000325697100003 ER PT B AU Vatsavai, RR Bhaduri, B Graesser, J AF Vatsavai, Ranga Raju Bhaduri, Budhendra Graesser, Jordan GP IEEE TI Complex Settlement Pattern Extraction With Multi-instance Learning SO 2013 JOINT URBAN REMOTE SENSING EVENT (JURSE) LA English DT Proceedings Paper CT Joint Urban Remote Sensing Event (JURSE) CY APR 21-23, 2013 CL Sao Paulo, BRAZIL ID NEURAL-NETWORK; LOGISTIC-REGRESSION; CLASSIFICATION; FRAMEWORK AB Per-pixel (or single instance) based classification schemes which have proven to be very useful in thematic classification have shown to be inadequate when it comes to analyzing very high resolution remote sensing imagery. The main problem being that the pixel size (less than a meter) is too small as compared to the typical object size (100s of meters) and contains too little contextual information to accurately distinguish complex settlement types. One way to alleviate this problem is to consider a bigger window or patch/segment consisting a group of adjacent pixels which offers better spatial context than a single pixel. Unfortunately, this makes per-pixel based classification schemes ineffective. In this work, we look at a new class of machine learning approaches, called multi-instance learning, where instead of assigning class labels to individual instances (pixels), a label is assigned to the bag (all pixels in a window or segment). We applied this multi-instance learning approach for identifying two important urban patterns, namely formal and informal settlements. Experimental evaluation shows the better performance of multi-instance learning over several well-known single-instance classification schemes. C1 [Vatsavai, Ranga Raju; Bhaduri, Budhendra] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Graesser, Jordan] McGill Univ, Dept Geog, Montreal H3A 0B9, PQ, Canada. RP Vatsavai, RR (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. EM vatsavairr@ornl.gov; bhaduribl@ornl.gov; jordan.graesser@mail.mcgill.ca FU Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge [37831-6285]; Department of Energy [DEAC05000R22725] FX Prepared by Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831-6285, managed by UT-Battelle, LLC for the U. S. Department of Energy under contract no. DEAC05000R22725. NR 17 TC 1 Z9 1 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-0211-8; 978-1-4799-0213-2 PY 2013 BP 246 EP 249 PG 4 WC Engineering, Electrical & Electronic; Remote Sensing SC Engineering; Remote Sensing GA BHJ66 UT WOS:000325634500061 ER PT J AU Alwall, J Chen, KF Han, T Hou, GWS AF Alwall, Johan Chen, Kai-Feng Han, Tao Hou, George Wei-Shu TI Very Heavy Quarks at the LHC SO ADVANCES IN HIGH ENERGY PHYSICS LA English DT Editorial Material C1 [Alwall, Johan] Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. [Chen, Kai-Feng; Hou, George Wei-Shu] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. [Han, Tao] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. RP Hou, GWS (reprint author), Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. EM wshou@phys.ntu.edu.tw NR 0 TC 0 Z9 0 U1 0 U2 0 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-7357 EI 1687-7365 J9 ADV HIGH ENERGY PHYS JI Adv. High. Energy Phys. PY 2013 AR 573631 DI 10.1155/2013/573631 PG 2 WC Physics, Particles & Fields SC Physics GA 237NE UT WOS:000325876400001 ER PT S AU Bernacki, BE Redding, RL Su, YF Brauer, CS Johnson, TJ AF Bernacki, Bruce E. Redding, Rebecca L. Su, Yin-Fong Brauer, Carolyn S. Johnson, Timothy J. BE Shen, SS Lewis, PE TI Intensity offset and correction of solid spectral library samples measured behind glass SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND ULTRASPECTRAL IMAGERY XIX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XIX CY APR 29-MAY 02, 2013 CL Baltimore, MD SP SPIE DE Visible near-infrared spectroscopy; integrating sphere; diffuse reflectance; calibration; glass reflectance ID GAS AB Accurate and calibrated diffuse reflectance spectra libraries of solids are becoming more important for hyperspectral and multispectral remote sensing exploitation. Many solids are in the form of powders or granules and in order to measure their diffuse reflectance spectra in the laboratory, it is often necessary to place the samples behind a transparent medium such as glass or quartz for the ultraviolet (UV), visible or near-infrared spectral regions to prevent their unwanted dispersal into the instrument or laboratory environment. Using both experimental and theoretical methods we have found that for the case of fused quartz this leads to an intensity offset in the reflectance values. Although expected dispersive effects were observed for the fused quartz window in the UV, the measured hemispherical reflectance values are predominantly vertically shifted by the reflectance from the air-quartz and sample-quartz interfaces with intensity dependent offsets leading to measured values up to similar to 6% too high for a 2% reflectance surface, similar to 3.8% too high for 10% reflecting materials, approximately correct (to within experimental error) for 40% to 60% diffuse reflecting surfaces, and similar to 2% too low for 99% reflecting Spectra Ion surfaces. For the diffuse reflectance case, the measured values are uniformly too low due to the glass, with differences nearly 6% too high for reflectance values approaching 99%. The deviations arise from the added reflections from the quartz surfaces as verified by theory, modeling and experiment. Empirical correction factors were implemented into post-processing software to redress the artifact for hemispherical and diffuse reflectance data across the 300 nm to 2300 nm range. C1 [Bernacki, Bruce E.; Redding, Rebecca L.; Su, Yin-Fong; Brauer, Carolyn S.; Johnson, Timothy J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bernacki, BE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM Timothy.johnson@pnnl.gov NR 10 TC 1 Z9 1 U1 0 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9534-1 J9 PROC SPIE PY 2013 VL 8743 AR 87431L DI 10.1117/12.2014523 PG 8 WC Optics; Spectroscopy SC Optics; Spectroscopy GA BHH00 UT WOS:000325394800051 ER PT S AU Martin, BW Vatsavai, RR AF Martin, Benjamin W. Vatsavai, Ranga R. BE Shen, SS Lewis, PE TI Image Change Detection via Ensemble Learning SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND ULTRASPECTRAL IMAGERY XIX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XIX CY APR 29-MAY 02, 2013 CL Baltimore, MD SP SPIE DE Ensemble learning; change detection; synthetic aperture radar; AdaBoost; MinorThird AB The concept of geographic change detection is relevant in many areas. Changes in geography can reveal much information about a particular location. For example, analysis of changes in geography can identify regions of population growth, change in land use, and potential environmental disturbance. A common way to perform change detection is to use a simple method such as differencing to detect regions of change. Though these techniques are simple, often the application of these techniques is very limited. Recently, use of machine learning methods such as neural networks for change detection has been explored with great success. In this work, we explore the use of ensemble learning methodologies for detecting changes in bitemporal synthetic aperture radar (SAR) images. Ensemble learning uses a collection of weak machine learning classifiers to create a stronger classifier which has higher accuracy than the individual classifiers in the ensemble. The strength of the ensemble lies in the fact that the individual classifiers in the ensemble create a "mixture of experts" in which the final classification made by the ensemble classifier is calculated from the outputs of the individual classifiers. Our methodology leverages this aspect of ensemble learning by training collections of weak decision tree based classifiers to identify regions of change in SAR images collected of a region in the Staten Island, New York area during Hurricane Sandy. Preliminary studies show that the ensemble method has approximately 11.5% higher change detection accuracy than an individual classifier. C1 [Martin, Benjamin W.] Univ Tennessee, Knoxville, TN 37996 USA. [Vatsavai, Ranga R.] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37830 USA. RP Martin, BW (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM bmarti15@eecs.utk.edu; vatsavairr@ornl.gov FU Oak Ridge National Laboratory; Oak Ridge, Tennessee [37831-6285]; UT-Battelle; LLC; U. S. Department of Energy [DEAC05-00OR22725] FX Prepared by Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831-6285, managed by UT-Battelle, LLC for the U. S. Department of Energy under contract no. DEAC05-00OR22725.; Copyright: This manuscript has been authored by employees of UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. Accordingly, the United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 7 TC 1 Z9 1 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9534-1 J9 PROC SPIE PY 2013 VL 8743 AR 874305 DI 10.1117/12.2017954 PG 7 WC Optics; Spectroscopy SC Optics; Spectroscopy GA BHH00 UT WOS:000325394800004 ER PT S AU Moody, DI Brumby, SP Rowland, JC Gangodagamage, C AF Moody, Daniela I. Brumby, Steven P. Rowland, Joel C. Gangodagamage, Chandana BE Shen, SS Lewis, PE TI Undercomplete Learned Dictionaries for Land Cover Classification in Multispectral Imagery of Arctic Landscapes using CoSA: Clustering of Sparse Approximations SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND ULTRASPECTRAL IMAGERY XIX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XIX CY APR 29-MAY 02, 2013 CL Baltimore, MD SP SPIE DE land cover classification; multispectral learned dictionaries; undercomplete dictionaries; clustering of sparse approximations; Hebbian learning; spectral-textural features; unsupervised classification ID TUNDRA; CANADA AB Techniques for automated feature extraction, including neuroscience-inspired machine vision, are of great interest for landscape characterization and change detection in support of global climate change science and modeling. We present results from an ongoing effort to extend machine vision methodologies to the environmental sciences, using state-of-the-art adaptive signal processing, combined with compressive sensing and machine learning techniques. We use a Hebbian learning rule to build undercomplete spectral-textural dictionaries that are adapted to the data. We learn our dictionaries from millions of overlapping multispectral image patches and then use a pursuit search to generate classification features. Land cover labels are automatically generated using our CoSA algorithm: unsupervised Clustering of Sparse Approximations. We demonstrate our method using multispectral Worldview-2 data from three Arctic study areas: Barrow, Alaska; the Selawik River, Alaska; and a watershed near the Mackenzie River delta in northwest Canada. Our goal is to develop a robust classification methodology that will allow for the automated discretization of the landscape into distinct units based on attributes such as vegetation, surface hydrological properties, and geomorphic characteristics. To interpret and assign land cover categories to the clusters we both evaluate the spectral properties of the clusters and compare the clusters to both field- and remote sensing-derived classifications of landscape attributes. Our work suggests that neuroscience-based models are a promising approach to practical pattern recognition problems in remote sensing. C1 [Moody, Daniela I.; Brumby, Steven P.; Rowland, Joel C.; Gangodagamage, Chandana] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Moody, DI (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Moody, Daniela/0000-0002-4452-8208; Gangodagamage, Chandana/0000-0001-6511-1711 NR 28 TC 2 Z9 2 U1 1 U2 17 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9534-1 J9 PROC SPIE PY 2013 VL 8743 AR 87430B DI 10.1117/12.2016135 PG 11 WC Optics; Spectroscopy SC Optics; Spectroscopy GA BHH00 UT WOS:000325394800007 ER PT S AU Porter, RB Lundquist, S Ruggiero, C AF Porter, Reid B. Lundquist, Sheng Ruggiero, Christy BE Shen, SS Lewis, PE TI Learning to Merge: A New Tool for Interactive Mapping SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND ULTRASPECTRAL IMAGERY XIX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XIX CY APR 29-MAY 02, 2013 CL Baltimore, MD SP SPIE DE interactive segmentation; structured output prediction; image analysis tools; geospatial mapping AB The task of turning raw imagery into semantically meaningful maps and overlays is a key area of remote sensing activity. Image analysts, in applications ranging from environmental monitoring to intelligence, use imagery to generate and update maps of terrain, vegetation, road networks, buildings and other relevant features. Often these tasks can be cast as a pixel labeling problem, and several interactive pixel labeling tools have been developed. These tools exploit training data, which is generated by analysts using simple and intuitive paint-program annotation tools, in order to tailor the labeling algorithm for the particular dataset and task. In other cases, the task is best cast as a pixel segmentation problem. Interactive pixel segmentation tools have also been developed, but these tools typically do not learn from training data like the pixel labeling tools do. In this paper we investigate tools for interactive pixel segmentation that also learn from user input. The input has the form of segment merging (or grouping). Merging examples are 1) easily obtained from analysts using vector annotation tools, and 2) more challenging to exploit than traditional labels. We outline the key issues in developing these interactive merging tools, and describe their application to remote sensing. C1 [Porter, Reid B.; Lundquist, Sheng; Ruggiero, Christy] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Porter, RB (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM rporter@lanl.gov NR 29 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9534-1 J9 PROC SPIE PY 2013 VL 8743 AR 87431F DI 10.1117/12.2018093 PG 12 WC Optics; Spectroscopy SC Optics; Spectroscopy GA BHH00 UT WOS:000325394800045 ER PT S AU Theiler, J Wohlberg, B AF Theiler, James Wohlberg, Brendt BE Shen, SS Lewis, PE TI Detection of unknown gas-phase chemical plumes in hyperspectral imagery SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND ULTRASPECTRAL IMAGERY XIX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XIX CY APR 29-MAY 02, 2013 CL Baltimore, MD SP SPIE DE hyperspectral; target detection; anomaly detection; sparse modeling ID ANOMALY DETECTION; IMAGING DATA; ALGORITHMS AB Gas-phase chemical plumes exhibit, particularly in the infrared, distinctive emission signatures as a function of wavelength. Hyperspectral imagery can exploit this distinctiveness to detect specific chemicals, even at low concentrations, using matched filters that are tailored both the the specific structure of the chemical signature and to the statistics of the background clutter. But what if the chemical species is unknown? One can apply matched filters to a long list of candidate chemicals (or chemical mixtures), or one can treat the problem as one of anomaly detection. In this case, however, the anomalous signals of interest are not completely unknown. Gas spectra are generically sparse (absorbing or emitting at only a few wavelengths), and this property can be exploited to enhance the sensitivity of anomaly detection algorithms. This paper investigates the utility of sparse signal anomaly detection for the problem of finding plumes of gas with unknown chemistry in hyperspectral imagery. C1 [Theiler, James; Wohlberg, Brendt] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Theiler, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jt@lanl.gov; brendt@lanl.gov RI Wohlberg, Brendt/M-7764-2015 OI Wohlberg, Brendt/0000-0002-4767-1843 NR 54 TC 1 Z9 1 U1 0 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9534-1 J9 PROC SPIE PY 2013 VL 8743 AR 874315 DI 10.1117/12.2016211 PG 12 WC Optics; Spectroscopy SC Optics; Spectroscopy GA BHH00 UT WOS:000325394800036 ER PT J AU Naimi, LJ Sokhansanj, S Bi, X Lim, CJ Womac, AR Lau, AK Melin, S AF Naimi, L. J. Sokhansanj, S. Bi, X. Lim, C. J. Womac, A. R. Lau, A. K. Melin, S. TI DEVELOPMENT OF SIZE REDUCTION EQUATIONS FOR CALCULATING ENERGY INPUT FOR GRINDING LIGNOCELLULOSIC PARTICLES SO APPLIED ENGINEERING IN AGRICULTURE LA English DT Article DE Grinding; Size reduction; Rittinger; Bond; Kick; Energy consumption; Specific energy consumption; Particle size; Biomass ID CORN STOVER; SWITCHGRASS; BIOMASS; WHEAT AB Size reduction is an essential and often first operation in preparing biomass for subsequent operations. Size reduction is energy intensive especially for cases where the target particle is small and precise in dimension. Mineral and food industries have developed empirical and semi-empirical equations to calculate energy input for grinding. It is uncertain if these equations can be applied to fibrous biomass. This research presents laboratory grinding data to evaluate the applicability of a set of generalized industrial-size reduction equations to the grinding of lignocellulose biomass. Batches of Douglas-fir (a soft wood) and hybrid willow (a hard wood) particles conditioned to 11.5% moisture content were ground in a rotary knife mill. Input and output particle sizes and the level of energy used to grind the material were acquired electronically and recorded. Specific grinding energy (Jig) was correlated with size parameters of three popular industrial equations: Kick, Rittinger, and Bond. All three equations fitted to the experimental data linearly but the best fitted lines did not go through the origin, i.e. the fitted lines had a slope and intercept. Rittinger equation had the best fit, followed by Bond equation and Kick equation. C1 [Naimi, L. J.; Sokhansanj, S.; Bi, X.; Lim, C. J.; Lau, A. K.] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. [Sokhansanj, S.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Womac, A. R.] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN USA. [Melin, S.] Delta Res Corp, Delta, BC, Canada. RP Sokhansanj, S (reprint author), Univ British Columbia, Dept Chem & Biol Engn, 2360 East Mall, Vancouver, BC V6T 1Z3, Canada. EM sokhansanjs@ornl.gov RI Lau, Anthony/J-8519-2015 FU Natural Sciences and Engineering Research Council of Canada; U.S. Department of Energy Office of Biomass Program; BC Ministry of Forest FX Financial support for this project is provided by the Natural Sciences and Engineering Research Council of Canada, and the U.S. Department of Energy Office of Biomass Program, and the BC Ministry of Forest. The authors would like to thank Marius Woehler and Mohammad Emami for their help during experiments. NR 20 TC 5 Z9 5 U1 1 U2 11 PU AMER SOC AGRICULTURAL & BIOLOGICAL ENGINEERS PI ST JOSEPH PA 2950 NILES RD, ST JOSEPH, MI 49085-9659 USA SN 0883-8542 EI 1943-7838 J9 APPL ENG AGRIC JI Appl. Eng. Agric. PD JAN PY 2013 VL 29 IS 1 BP 93 EP 100 PG 8 WC Agricultural Engineering SC Agriculture GA 232RJ UT WOS:000325511400012 ER PT J AU Miyamoto, Y Inoue, M Morino, I Uchino, O Yokota, T Machida, T Sawa, Y Matsueda, H Sweeney, C Tans, PP Andrews, AE Biraud, SC Patra, PK AF Miyamoto, Y. Inoue, M. Morino, I. Uchino, O. Yokota, T. Machida, T. Sawa, Y. Matsueda, H. Sweeney, C. Tans, P. P. Andrews, A. E. Biraud, S. C. Patra, P. K. TI Atmospheric column-averaged mole fractions of carbon dioxide at 53 aircraft measurement sites (vol 13, pg 5265, 2013) SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Correction C1 [Miyamoto, Y.; Inoue, M.; Morino, I.; Uchino, O.; Yokota, T.; Machida, T.] NIES, Tsukuba, Ibaraki, Japan. [Sawa, Y.; Matsueda, H.] Meteorol Res Inst, Tsukuba, Ibaraki 305, Japan. [Sweeney, C.; Tans, P. P.; Andrews, A. E.] NOAA, Boulder, CO USA. [Biraud, S. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Patra, P. K.] Japan Agcy Marine Earth Sci & Technol JAMSTEC, Yokohama, Kanagawa, Japan. RP Morino, I (reprint author), Okayama Univ, Grad Sch Nat Sci & Technol, Okayama, Japan. EM morino@nies.go.jp RI Biraud, Sebastien/M-5267-2013; Andrews, Arlyn/K-3427-2012; Inoue, Makoto/M-8505-2014 OI Biraud, Sebastien/0000-0001-7697-933X; Inoue, Makoto/0000-0002-6826-5334 NR 2 TC 1 Z9 1 U1 0 U2 8 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2013 VL 13 IS 18 BP 9213 EP 9216 DI 10.5194/acp-13-9213-2013 PG 4 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 229RC UT WOS:000325283800007 ER PT J AU Cazorla, A Bahadur, R Suski, KJ Cahill, JF Chand, D Schmid, B Ramanathan, V Prather, KA AF Cazorla, A. Bahadur, R. Suski, K. J. Cahill, J. F. Chand, D. Schmid, B. Ramanathan, V. Prather, K. A. TI Relating aerosol absorption due to soot, organic carbon, and dust to emission sources determined from in-situ chemical measurements SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID SINGLE SCATTERING ALBEDO; FILTER-BASED MEASUREMENTS; VISIBLE-LIGHT ABSORPTION; OPTICAL-PROPERTIES; BLACK CARBON; WAVELENGTH DEPENDENCE; SOUTHERN CALIFORNIA; MIXING STATE; ATMOSPHERIC AEROSOLS; MASS-SPECTROMETER AB Estimating the aerosol contribution to the global or regional radiative forcing can take advantage of the relationship between the spectral aerosol optical properties and the size and chemical composition of aerosol. Long term global optical measurements from observational networks or satellites can be used in such studies. Using in-situ chemical mixing state measurements can help us to constrain the limitations of such estimates. In this study, the Absorption Angstrom Exponent (AAE) and the Scattering Angstrom Exponent (SAE) derived from 10 operational AERONET sites in California are combined for deducing chemical speciation based on wavelength dependence of the optical properties. In addition, in-situ optical properties and single particle chemical composition measured during three aircraft field campaigns in California between 2010 and 2011 are combined in order to validate the methodology used for the estimates of aerosol chemistry using spectral optical properties. Results from this study indicate a dominance of mixed types in the classification leading to an underestimation of the primary sources, however secondary sources are better classified. The distinction between carbonaceous aerosols from fossil fuel and biomass burning origins is not clear, since their optical properties are similar. On the other hand, knowledge of the aerosol sources in California from chemical studies help to identify other misclassification such as the dust contribution. C1 [Cazorla, A.; Suski, K. J.; Cahill, J. F.; Prather, K. A.] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. [Bahadur, R.; Ramanathan, V.; Prather, K. A.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Chand, D.; Schmid, B.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Prather, KA (reprint author), Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. EM kprather@ucsd.edu RI Prather, Kimberly/A-3892-2008; OI Prather, Kimberly/0000-0003-3048-9890; Cahill, John/0000-0002-9866-4010 FU CARB [08-323]; Atmospheric Radiation Measurement (ARM) Program; US Department of Energy (DOE), Office of Biological and Environmental Research (OBER); US DOE's Atmospheric System Research (ASR) Program at PNNL for CARES [DE-AC06-76RLO 1830]; California Energy Commission [CEC 500-09-043, 500-09-032]; NOAA [NA090AR4310128] FX Funding for this work was provided by CARB under agreement no. 08-323. The statements and conclusions in this report are those of the researchers and not necessarily those of the California Air Resources Board. The mention of any commercial products, their source, or their use in connection with the material reported is not construed as actual or implied endorsement of such products.; We would like to thank the field staff involved in the deployment of the G1 during CARES and CalWater. The deployment of the G-1 was funded by the Atmospheric Radiation Measurement (ARM) Program sponsored by the US Department of Energy (DOE), Office of Biological and Environmental Research (OBER) and the US DOE's Atmospheric System Research (ASR) Program under Contract DE-AC06-76RLO 1830 at PNNL for CARES, and by the California Energy Commission under contract CEC 500-09-043 and 500-09-032 for CalWater. The deployment of the Twin Otter during CalNex was supported by NOAA grant NA090AR4310128. We also would like to thank the people involved during the CalNex campaign, and especially to Haflidi Jonsson who provided useful insight with the optical measurement from the Twin Otter. NR 63 TC 22 Z9 22 U1 3 U2 41 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2013 VL 13 IS 18 BP 9337 EP 9350 DI 10.5194/acp-13-9337-2013 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 229RC UT WOS:000325283800014 ER PT J AU Maksyutov, S Takagi, H Valsala, VK Saito, M Oda, T Saeki, T Belikov, DA Saito, R Ito, A Yoshida, Y Morino, I Uchino, O Andres, RJ Yokota, T AF Maksyutov, S. Takagi, H. Valsala, V. K. Saito, M. Oda, T. Saeki, T. Belikov, D. A. Saito, R. Ito, A. Yoshida, Y. Morino, I. Uchino, O. Andres, R. J. Yokota, T. TI Regional CO2 flux estimates for 2009-2010 based on GOSAT and ground-based CO2 observations SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID ATMOSPHERIC CARBON-DIOXIDE; GASES OBSERVING SATELLITE; SURFACE OCEAN PCO(2); RETRIEVAL ALGORITHM; TRACER TRANSPORT; GREENHOUSE GASES; TERRESTRIAL ECOSYSTEMS; MODEL SIMULATIONS; VERTICAL PROFILES; FIRE PRODUCTS AB We present the application of a global carbon cycle modeling system to the estimation of monthly regional CO2 fluxes from the column-averaged mole fractions of CO2 (X-CO2) retrieved from spectral observations made by the Greenhouse gases Observing SATellite (GOSAT). The regional flux estimates are to be publicly disseminated as the GOSAT Level 4 data product. The forward modeling components of the system include an atmospheric tracer transport model, an anthropogenic emissions inventory, a terrestrial biosphere exchange model, and an oceanic flux model. The atmospheric tracer transport was simulated using isentropic coordinates in the stratosphere and was tuned to reproduce the age of air. We used a fossil fuel emission inventory based on large point source data and observations of night-time lights. The terrestrial biospheric model was optimized by fitting model parameters to observed atmospheric CO2 seasonal cycle, net primary production data, and a biomass distribution map. The oceanic surface pCO(2) distribution was estimated with a 4-D variational data assimilation system based on reanalyzed ocean currents. Monthly CO2 fluxes of 64 sub-continental regions, between June 2009 and May 2010, were estimated from GOSAT FTS SWIR Level 2 X-CO2 retrievals (ver. 02.00) gridded to 5 degrees x 5 degrees cells and averaged on a monthly basis and monthly-mean GLOBALVIEW-CO2 data. Our result indicated that adding the GOSAT X-CO2 retrievals to the GLOBALVIEW data in the flux estimation brings changes to fluxes of tropics and other remote regions where the surface-based data are sparse. The uncertainties of these remote fluxes were reduced by as much as 60% through such addition. Optimized fluxes estimated for many of these regions, were brought closer to the prior fluxes by the addition of the GOSAT retrievals. In most of the regions and seasons considered here, the estimated fluxes fell within the range of natural flux variabilities estimated with the component models. C1 [Maksyutov, S.; Takagi, H.; Valsala, V. K.; Saito, M.; Oda, T.; Saeki, T.; Belikov, D. A.; Saito, R.; Ito, A.; Yoshida, Y.; Morino, I.; Uchino, O.; Yokota, T.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan. [Belikov, D. A.] Natl Inst Polar Res, Tokyo, Japan. [Andres, R. J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Maksyutov, S (reprint author), Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan. EM shamil@nies.go.jp RI Morino, Isamu/K-1033-2014; Maksyutov, Shamil/G-6494-2011; Belikov, Dmitry/I-9877-2016 OI Morino, Isamu/0000-0003-2720-1569; Maksyutov, Shamil/0000-0002-1200-9577; FU NASA's Terrestrial Ecology Program [NNX11AG01G]; Orbiting Carbon Observatory Program; Atmospheric CO2 Observations from Space (ACOS) Program; Department of Energy/Atmospheric Radiation Measurement (DOE/ARM) Program; Australian Research Council [LE0668470, DP0879468, DP110103118, LP0562346]; Senate of Bremen; EU; NIES GOSAT project; U.S. Department of Energy, Office of Science, Biological and Environmental Research (BER); US Department of Energy [DE-AC05-00OR22725] FX The GOSAT Project is a joint undertaking of three organizations: the Japan Aerospace Exploration Agency, the National Institute for Environmental Studies (NIES), and the Japanese Ministry of the Environment. The work benefited from support and efforts by P. K. Patra, P. Rayner, T. Nakazawa, G. Inoue, Y. Sasano, H. Akimoto, M. Ikeda, Y. Nakatsuka, Y. Koyama, N. Kadygrov, A. Yaremchuk, M. Naja, H.-S. Kim, T. Machida, Y. Nojiri, T. Shirai, S. Oshchepkov, and A. Bril, and discussions with H. Mukai, L. Feng, F. Chevallier, S. Houweling, P. Peylin, and the Transcom project members. Authors would like to thank the members of the GOSAT Project for their contribution to this work. M. Harada, K. Matsubara, and colleagues at Advance Soft Corp. contributed to the development of data processing systems. The NIES supercomputer system (including NEC SX-8R/128M16) was used for the development and implementation of the inverse modeling system components. GLOBALVIEW-CO2 dataset used in this study is supported by cooperating scientists and their organizations. The meteorological datasets used for this study were provided by the cooperative research project of the JRA-25/JCDAS long-term reanalysis by Japan Meteorological Agency (JMA) and Central Research Institute of Electric Power Industry (CRIEPI). TCCON data were made available to us thanks to efforts by P. Wennberg, J. Notholt, N. Deutcher, D. Griffith, D. Wunch, and a number of other contributing scientists. Funding for TCCON is provided by NASA's Terrestrial Ecology Program (grant NNX11AG01G), the Orbiting Carbon Observatory Program, the Atmospheric CO2 Observations from Space (ACOS) Program, and the Department of Energy/Atmospheric Radiation Measurement (DOE/ARM) Program. We acknowledge funding to support the Wollongong TCCON site from the Australian Research Council, projects LE0668470, DP0879468, DP110103118 and LP0562346. We acknowledge financial support of the Bialystok TCCON site from the Senate of Bremen and EU projects IMECC, GEOMON and InGOS as well as maintenance and logistical work provided by AeroMeteo Service (Bialystok) and the RAMCES team at LSCE (Gif-sur-Yvette, France), and additional operational funding from the NIES GOSAT project. RJA was sponsored by U.S. Department of Energy, Office of Science, Biological and Environmental Research (BER) programs and performed at Oak Ridge National Laboratory (ORNL) under US Department of Energy contract DE-AC05-00OR22725. NR 116 TC 41 Z9 41 U1 0 U2 27 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2013 VL 13 IS 18 BP 9351 EP 9373 DI 10.5194/acp-13-9351-2013 PG 23 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 229RC UT WOS:000325283800015 ER PT S AU Karakaya, M Barstow, D Santos-Villalobos, H Thompson, J Bolme, D Boehnen, C AF Karakaya, Mahmut Barstow, Del Santos-Villalobos, Hector Thompson, Joseph Bolme, David Boehnen, Christopher BE Kakadiaris, I Scheirer, WJ Hassebrook, LG TI Gaze Estimation for Off-Angle Iris Recognition Based on the Biometric Eye Model SO BIOMETRIC AND SURVEILLANCE TECHNOLOGY FOR HUMAN AND ACTIVITY IDENTIFICATION X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Biometric and Surveillance Technology for Human and Activity Identification X CY MAY 02, 2013 CL Baltimore, MD SP SPIE DE Gaze estimation; off-angle iris; biometric eye model; elliptical iris boundary; iris recognition AB Iris recognition is among the highest accuracy biometrics. However, its accuracy relies on controlled high quality capture data and is negatively affected by several factors such as angle, occlusion, and dilation. Non-ideal iris recognition is a new research focus in biometrics. In this paper, we present a gaze estimation method designed for use in an off-angle iris recognition framework based on the ORNL biometric eye model. Gaze estimation is an important prerequisite step to correct an off-angle iris images. To achieve the accurate frontal reconstruction of an off-angle iris image, we first need to estimate the eye gaze direction from elliptical features of an iris image. Typically additional information such as well-controlled light sources, head mounted equipment, and multiple cameras are not available. Our approach utilizes only the iris and pupil boundary segmentation allowing it to be applicable to all iris capture hardware. We compare the boundaries with a look-up-table generated by using our biologically inspired biometric eye model and find the closest feature point in the look-up-table to estimate the gaze. Based on the results from real images, the proposed method shows effectiveness in gaze estimation accuracy for our biometric eye model with an average error of approximately 3.5 degrees over a 50 degree range. C1 [Karakaya, Mahmut; Barstow, Del; Santos-Villalobos, Hector; Thompson, Joseph; Bolme, David; Boehnen, Christopher] Oak Ridge Natl Lab, Imaging Signals & Machine Learning Grp, Oak Ridge, TN 37831 USA. RP Karakaya, M (reprint author), Oak Ridge Natl Lab, Imaging Signals & Machine Learning Grp, Oak Ridge, TN 37831 USA. EM karakayam@ornl.gov NR 21 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9503-7 J9 PROC SPIE PY 2013 VL 8712 AR 87120F DI 10.1117/12.2018614 PG 9 WC Mathematical & Computational Biology; Optics SC Mathematical & Computational Biology; Optics GA BHH33 UT WOS:000325412700010 ER PT J AU Villa, A Wang, D Veith, GM Vindigni, F Prati, L AF Villa, Alberto Wang, Di Veith, Gabriel M. Vindigni, Floriana Prati, Laura TI Sol immobilization technique: a delicate balance between activity, selectivity and stability of gold catalysts SO CATALYSIS SCIENCE & TECHNOLOGY LA English DT Article ID LIQUID-PHASE OXIDATION; PARTICLE-SIZE; GLYCEROL; NANOPARTICLES; CLUSTERS; SUPPORT AB Sol immobilization is a widely used method to prepare gold catalysts. The presence of the protective layer can have a significant influence on catalyst properties by mediating metal-support and reactantmetal interactions. This paper details the effect of a polyvinyl alcohol (PVA) protecting group on the activity of a supported gold catalyst as well as its selectivity towards glycerol oxidation. C1 [Villa, Alberto; Prati, Laura] Univ Milan, Dipartimento Chim, I-20133 Milan, Italy. [Wang, Di] Karlsruhe Inst Technol, Inst Nanotechnol, D-76344 Eggenstein Leopoldshafen, Germany. [Wang, Di] Karlsruhe Inst Technol, Karlsruhe Nano Micro Facil, D-76344 Eggenstein Leopoldshafen, Germany. [Veith, Gabriel M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Vindigni, Floriana] Univ Turin, Dipartimento Chim, I-10125 Turin, Italy. [Vindigni, Floriana] Univ Turin, NIS Ctr Excellence, I-10125 Turin, Italy. RP Villa, A (reprint author), Univ Milan, Dipartimento Chim, Via Golgi 19, I-20133 Milan, Italy. EM Laura.Prati@unimi.it RI Villa, Alberto/H-7355-2013; Prati, Laura/Q-3970-2016; OI Villa, Alberto/0000-0001-8656-6256; Prati, Laura/0000-0002-8227-9505; Wang, Di/0000-0001-9817-7047 FU U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials Sciences and Engineering Division; Euminafab FX A portion of this work (GMV-XPS) was supported by the U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials Sciences and Engineering Division. TEM characterization was carried out in KIT and sponsored by Euminafab. NR 24 TC 27 Z9 27 U1 4 U2 30 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2044-4753 EI 2044-4761 J9 CATAL SCI TECHNOL JI Catal. Sci. Technol. PY 2013 VL 3 IS 11 BP 3036 EP 3041 DI 10.1039/c3cy00260h PG 6 WC Chemistry, Physical SC Chemistry GA 235OA UT WOS:000325727500024 ER PT J AU Zhang, GQ Hanson, SK AF Zhang, Guoqi Hanson, Susan K. TI Cobalt-catalyzed transfer hydrogenation of C=O and C=N bonds SO CHEMICAL COMMUNICATIONS LA English DT Article ID ASYMMETRIC TRANSFER HYDROGENATION; RUTHENIUM HYDRIDE; AROMATIC KETONES; IRON COMPLEXES; POLAR BONDS; PNNP LIGAND; IMINES; METAL; ACETOPHENONE; REDUCTION AB An earth-abundant metal cobalt catalyst has been developed for the transfer hydrogenation of ketones, aldehydes, and imines under mild conditions. Experiments are described which provide insights into the mechanism of the transfer hydrogenation reaction. C1 [Zhang, Guoqi; Hanson, Susan K.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Hanson, SK (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM skhanson@lanl.gov FU Los Alamos National Laboratory LDRD [20110537ER] FX This work was funded by Los Alamos National Laboratory LDRD Early Career Award (20110537ER). NR 45 TC 31 Z9 31 U1 3 U2 94 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 86 BP 10151 EP 10153 DI 10.1039/c3cc45900d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 234KL UT WOS:000325642400031 PM 24048438 ER PT J AU Wei, Q Yang, DL Fan, MH Harris, HG AF Wei, Qiang Yang, Dali Fan, Maohong Harris, H. Gordon TI Applications of Nanomaterial-Based Membranes in Pollution Control SO CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY LA English DT Review DE pollution control; decontamination; nanomaterials; nanocomposites; membrane; metal-organic frameworks ID METAL-ORGANIC FRAMEWORK; ZERO-VALENT IRON; SELF-ASSEMBLED MONOLAYERS; CARBON NANOTUBE MEMBRANES; MESOPOROUS SUPPORTS SAMMS; ENHANCED PHOTOCATALYTIC PERFORMANCE; CHEMICAL WARFARE STIMULANTS; AMINO-FUNCTIONALIZED MCM-41; TITANIA-SILICA AEROGEL; HYDROUS FERRIC-OXIDE AB Human activities have affected the global environmental system, resulting in drastic problems such as pollutants control either in solid, liquid or gas forms. The authors provide a thorough review on this pollution control topic covering from traditional decontamination processes, traditional materials used in these processes, to current status of nanomaterials, especially nanomaterial-based membranes that are used. An effort on the state-or-art works on metal-organic frameworks based membranes for gas separation is emphasized also in this review. C1 [Wei, Qiang; Yang, Dali] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Fan, Maohong; Harris, H. Gordon] Univ Wyoming, Dept Chem & Petr Engn, Laramie, WY 82071 USA. RP Wei, Q (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM mailrwx@gmail.com; mfan@uwyo.edu NR 306 TC 1 Z9 1 U1 7 U2 68 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1064-3389 EI 1547-6537 J9 CRIT REV ENV SCI TEC JI Crit. Rev. Environ. Sci. Technol. PD JAN 1 PY 2013 VL 43 IS 22 BP 2389 EP 2438 DI 10.1080/10643389.2012.672066 PG 50 WC Environmental Sciences SC Environmental Sciences & Ecology GA 234XL UT WOS:000325677500001 ER PT J AU Worsley, MA Merrill, MD Charnvanichborikarn, S Kucheyev, SO Satcher, JH Stadermann, M Biener, J Baumann, TF AF Worsley, Marcus A. Merrill, Matthew D. Charnvanichborikarn, Supakit Kucheyev, Sergei O. Satcher, Joe H., Jr. Stadermann, Michael Biener, Juergen Baumann, Theodore F. TI Thick, Binder-Free Carbon-Nanotube-Based Electrodes for High Power Applications SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY LA English DT Article ID SENSING INDENTATION; PORE-SIZE; CAPACITANCE; NANOMATERIALS; GRAPHENE; FILMS AB In this study, synthesis and characterization of thick carbon nanotube (CNT) electrodes with impressive electrical conductivity, mechanical properties, and large surface area is presented. The electrodes are made by effectively cross-linking the CNTs with graphitic carbon particles. The random network of cross-linked CNTs results in a bulk conductivity of >60 S/cm, large Young's modulus (similar to 1.2 GPa), and high surface area (>500 m(2)/g). Electrochemical characterization of these thick CNT electrodes (100-1000 mu m) shows a capacitance of 90 F/g (40 F/cm(3)) in an aqueous electrolyte (5 M KOH). Furthermore, much of this capacitance is maintained at fast scan rates up to 1000 mV/s. This high rate performance leads to a simultaneous display of large energy densities (> 10 Wh/kg) and power densities (>40 kW/kg) for the thick, binderless CNT electrode. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Worsley, Marcus A.; Merrill, Matthew D.; Charnvanichborikarn, Supakit; Kucheyev, Sergei O.; Satcher, Joe H., Jr.; Stadermann, Michael; Biener, Juergen; Baumann, Theodore F.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Worsley, MA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM worsley1@llnl.gov RI Worsley, Marcus/G-2382-2014 OI Worsley, Marcus/0000-0002-8012-7727 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DOE Office of Energy Efficiency and Renewable Energy FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and funded by the DOE Office of Energy Efficiency and Renewable Energy. NR 27 TC 1 Z9 1 U1 1 U2 14 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 2162-8769 J9 ECS J SOLID STATE SC JI ECS J. Solid State Sci. Technol. PY 2013 VL 2 IS 10 BP M3140 EP M3144 DI 10.1149/2.020310jss PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 234ZJ UT WOS:000325683100018 ER PT S AU Drachenberg, D Messerly, M Pax, P Sridharan, A Tassano, J Dawson, J AF Drachenberg, Derrek Messerly, Michael Pax, Paul Sridharan, Arun Tassano, John Dawson, Jay BE Hendow, ST TI High Order Ribbon Fiber Modes, Simulations, and Experiments for High Power Fiber Amplifiers SO FIBER LASERS X: TECHNOLOGY, SYSTEMS, AND APPLICATIONS SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Lasers X - Technology, Systems, and Applications CY FEB 04-07, 2013 CL San Francisco, CA SP SPIE, NKT Photon A/S, Fianium Ltd, PolarOnyx Inc ID HIGH AVERAGE POWER; OPTICAL-FIBERS; LASERS; AREA AB Diffraction limited fiber amplifiers in a circular geometry are likely to be limited by nonlinearities to 2 kW for narrowband and 10-36 kW for broadband lasers. We have proposed a ribbon fiber geometry to allow scaling fiber lasers above these limits in which a high order ribbon mode is amplified and converted back to the fundamental mode in free space. Novel methods of illuminating a high order ribbon fiber mode are discussed and compared with modeling and experimental results showing high purity illumination, > 90%. A 10 kW single frequency ribbon fiber amplifier design is presented and BPM simulation results verify the approach. C1 [Drachenberg, Derrek; Messerly, Michael; Pax, Paul; Sridharan, Arun; Tassano, John; Dawson, Jay] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Drachenberg, D (reprint author), Lawrence Livermore Natl Lab, L-491,POB 808, Livermore, CA 94551 USA. EM drachenberg1@llnl.gov NR 23 TC 1 Z9 1 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9370-5 J9 PROC SPIE PY 2013 VL 8601 AR 860107 DI 10.1117/12.2001920 PG 13 WC Optics; Physics, Applied SC Optics; Physics GA BHE44 UT WOS:000325162800003 ER PT S AU Moore, SW Soh, DBS Bisson, SE Patterson, BD Hsu, WL AF Moore, Sean W. Soh, Daniel B. S. Bisson, Scott E. Patterson, Brian D. Hsu, Wen L. BE Hendow, ST TI A high-energy cladding-pumped 80 nanosecond Q-switched fiber laser using a tapered fiber saturable absorber SO FIBER LASERS X: TECHNOLOGY, SYSTEMS, AND APPLICATIONS SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Lasers X - Technology, Systems, and Applications CY FEB 04-07, 2013 CL San Francisco, CA SP SPIE, NKT Photon A/S, Fianium Ltd, PolarOnyx Inc DE Yb+3 fiber; Q-switching; saturable absorber; tapered mode field adaptors ID DOPED FIBER AB We report a passively Q-switched all-fiber laser using a large mode area (LMA) Yb3+-doped fiber cladding-pumped at 915 nm and an unpumped single-mode Yb3+-doped fiber as the saturable absorber (SA). The saturable absorber and gain fibers were first coupled with a free-space telescope to better study the composite system, and then fusion spliced with fiber tapers to match the mode field diameters. ASE generated in the LMA gain fiber preferentially bleaches the SA fiber before depleting the gain, thereby causing the SA fiber to act as a passive saturable absorber. Using this scheme we first demonstrate a Q-switched oscillator with 40 mu J 79 ns pulses at 1026 nm using a free-space taper, and show that pulses can be generated from 1020 nm to 1040 nm. We scale the pulse energy to 0.40 mJ using an Yb3+-doped cladding pumped fiber amplifier. Experimental studies in which the saturable absorber length, pump times, and wavelengths are independently varied reveal the impact of these parameters on laser performance. Finally, we demonstrate 60 mu J 81 ns pulses at 1030 nm in an all fiber architecture using tapered mode field adaptors to match the mode filed diameters of the gain and SA fibers. C1 [Moore, Sean W.; Soh, Daniel B. S.; Bisson, Scott E.; Patterson, Brian D.; Hsu, Wen L.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Moore, SW (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA. EM seamoor@sandia.gov NR 7 TC 0 Z9 0 U1 0 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9370-5 J9 PROC SPIE PY 2013 VL 8601 AR 86011N DI 10.1117/12.2000320 PG 11 WC Optics; Physics, Applied SC Optics; Physics GA BHE44 UT WOS:000325162800038 ER PT S AU Jin, ZQ Muchero, W Chen, JG AF Jin, Zhaoqing Muchero, Wellington Chen, Jin-Gui BE Running, MP TI Analysis of Cell Division and Cell Elongation in the Hypocotyls of Arabidopsis Heterotrimeric G Protein Mutants SO G PROTEIN-COUPLED RECEPTOR SIGNALING IN PLANTS: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Arabidopsis; Cell division; Cell elongation; Heterotrimeric G-proteins; Hypocotyl ID BETA-SUBUNIT; PROLIFERATION AB The heterotrimeric G-proteins form classical signal transduction complexes conserved in all eukaryotes. The repertoire of G-protein signaling complex is much simpler in plants than in metazoans. One of the best understood functions for the plant G-protein complex is its modulation of cell proliferation. A method is described here to quantify cell division and cell elongation in the Arabidopsis heterotrimeric G-protein mutants using the hypocotyl as a model system. C1 [Jin, Zhaoqing; Muchero, Wellington; Chen, Jin-Gui] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Jin, ZQ (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RI Chen, Jin-Gui/A-4773-2011; OI Chen, Jin-Gui/0000-0002-1752-4201; muchero, wellington/0000-0002-0200-9856 NR 17 TC 0 Z9 0 U1 0 U2 5 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-62703-532-3; 978-1-62703-531-6 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2013 VL 1043 BP 37 EP 43 DI 10.1007/978-1-62703-532-3_4 D2 10.1007/978-1-62703-532-3 PG 7 WC Plant Sciences SC Plant Sciences GA BHJ08 UT WOS:000325576600005 PM 23913033 ER PT J AU Ming, R VanBuren, R Liu, YL Yang, M Han, YP Li, LT Zhang, Q Kim, MJ Schatz, MC Campbell, M Li, JP Bowers, JE Tang, HB Lyons, E Ferguson, AA Narzisi, G Nelson, DR Blaby-Haas, CE Gschwend, AR Jiao, YN Der, JP Zeng, FC Han, J Min, XJ Hudson, KA Singh, R Grennan, AK Karpowicz, SJ Watling, JR Ito, K Robinson, SA Hudson, ME Yu, QY Mockler, TC Carroll, A Zheng, Y Sunkar, R Jia, RZ Chen, N Arro, J Wai, CM Wafula, E Spence, A Han, YN Xu, LM Zhang, JS Peery, R Haus, MJ Xiong, WW Walsh, JA Wu, J Wang, ML Zhu, YJ Paull, RE Britt, AB Du, CG Downie, SR Schuler, MA Michael, TP Long, SP Ort, DR Schopf, JW Gang, DR Jiang, N Yandell, M dePamphilis, CW Merchant, SS Paterson, AH Buchanan, BB Li, SH Shen-Miller, J AF Ming, Ray VanBuren, Robert Liu, Yanling Yang, Mei Han, Yuepeng Li, Lei-Ting Zhang, Qiong Kim, Min-Jeong Schatz, Michael C. Campbell, Michael Li, Jingping Bowers, John E. Tang, Haibao Lyons, Eric Ferguson, Ann A. Narzisi, Giuseppe Nelson, David R. Blaby-Haas, Crysten E. Gschwend, Andrea R. Jiao, Yuannian Der, Joshua P. Zeng, Fanchang Han, Jennifer Min, Xiang Jia Hudson, Karen A. Singh, Ratnesh Grennan, Aleel K. Karpowicz, Steven J. Watling, Jennifer R. Ito, Kikukatsu Robinson, Sharon A. Hudson, Matthew E. Yu, Qingyi Mockler, Todd C. Carroll, Andrew Zheng, Yun Sunkar, Ramanjulu Jia, Ruizong Chen, Nancy Arro, Jie Wai, Ching Man Wafula, Eric Spence, Ashley Han, Yanni Xu, Liming Zhang, Jisen Peery, Rhiannon Haus, Miranda J. Xiong, Wenwei Walsh, James A. Wu, Jun Wang, Ming-Li Zhu, Yun J. Paull, Robert E. Britt, Anne B. Du, Chunguang Downie, Stephen R. Schuler, Mary A. Michael, Todd P. Long, Steve P. Ort, Donald R. Schopf, J. William Gang, David R. Jiang, Ning Yandell, Mark dePamphilis, Claude W. Merchant, Sabeeha S. Paterson, Andrew H. Buchanan, Bob B. Li, Shaohua Shen-Miller, Jane TI Genome of the long-living sacred lotus (Nelumbo nucifera Gaertn.) SO GENOME BIOLOGY LA English DT Article ID EARLY DIVERSIFICATION; DIVERGENCE TIMES; CORE EUDICOTS; SEQUENCE; GENE; PALEOHEXAPLOIDY; EVOLUTION; FRUITS; PLANTS; RATES AB Background: Sacred lotus is a basal eudicot with agricultural, medicinal, cultural and religious importance. It was domesticated in Asia about 7,000 years ago, and cultivated for its rhizomes and seeds as a food crop. It is particularly noted for its 1,300-year seed longevity and exceptional water repellency, known as the lotus effect. The latter property is due to the nanoscopic closely packed protuberances of its self-cleaning leaf surface, which have been adapted for the manufacture of a self-cleaning industrial paint, Lotusan. Results: The genome of the China Antique variety of the sacred lotus was sequenced with Illumina and 454 technologies, at respective depths of 101x and 5.2x. The final assembly has a contig N50 of 38.8 kbp and a scaffold N50 of 3.4 Mbp, and covers 86.5% of the estimated 929 Mbp total genome size. The genome notably lacks the paleo-triplication observed in other eudicots, but reveals a lineage-specific duplication. The genome has evidence of slow evolution, with a 30% slower nucleotide mutation rate than observed in grape. Comparisons of the available sequenced genomes suggest a minimum gene set for vascular plants of 4,223 genes. Strikingly, the sacred lotus has 16 COG2132 multi-copper oxidase family proteins with root-specific expression; these are involved in root meristem phosphate starvation, reflecting adaptation to limited nutrient availability in an aquatic environment. Conclusions: The slow nucleotide substitution rate makes the sacred lotus a better resource than the current standard, grape, for reconstructing the pan-eudicot genome, and should therefore accelerate comparative analysis between eudicots and monocots. C1 [Ming, Ray; Liu, Yanling; Yang, Mei; Han, Yuepeng; Zhang, Qiong; Han, Yanni; Xu, Liming; Li, Shaohua] Chinese Acad Sci, Wuhan Bot Garden, Key Lab Plant Germplasm Enhancement & Specialty A, Wuhan 430074, Peoples R China. [Ming, Ray; VanBuren, Robert; Li, Lei-Ting; Zhang, Qiong; Gschwend, Andrea R.; Zeng, Fanchang; Han, Jennifer; Grennan, Aleel K.; Arro, Jie; Wai, Ching Man; Spence, Ashley; Peery, Rhiannon; Haus, Miranda J.; Walsh, James A.; Downie, Stephen R.; Schuler, Mary A.; Long, Steve P.; Ort, Donald R.] Univ Illinois, Dept Plant Biol, Urbana, IL 61801 USA. [Li, Lei-Ting; Wu, Jun] Nanjing Agr Univ, Coll Hort, Nanjing 210095, Jiangsu, Peoples R China. [Kim, Min-Jeong; Gang, David R.] Washington State Univ, Inst Biol Chem, Pullman, WA 99164 USA. [Schatz, Michael C.; Narzisi, Giuseppe] Cold Spring Harbor Lab, Simons Ctr Quantitat Biol, Cold Spring Harbor, NY 11724 USA. [Campbell, Michael; Yandell, Mark] Univ Utah, Eccles Inst Human Genet, Salt Lake City, UT 84112 USA. [Li, Jingping; Jiao, Yuannian; Paterson, Andrew H.] Univ Georgia, Plant Genome Mapping Lab, Athens, GA 30602 USA. [Bowers, John E.] Univ Georgia, Dept Crop & Soil Sci, Athens, GA 30602 USA. [Tang, Haibao] J Craig Venter Inst, Rockville, MD 20850 USA. [Lyons, Eric] Univ Arizona, IPlant Collaborat Inst Bio5, Sch Plant Sci, Tucson, AZ 85745 USA. [Ferguson, Ann A.; Jiang, Ning] Michigan State Univ, Dept Hort, E Lansing, MI 48824 USA. [Nelson, David R.] Univ Tennessee, Ctr Hlth Sci, Dept Microbiol Immunol & Biochem, Memphis, TN 38163 USA. [Blaby-Haas, Crysten E.; Merchant, Sabeeha S.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Blaby-Haas, Crysten E.; Merchant, Sabeeha S.] Univ Calif Los Angeles, Inst Genom & Prote, Los Angeles, CA 90095 USA. [Jiao, Yuannian; Der, Joshua P.; Wafula, Eric; dePamphilis, Claude W.] Penn State Univ, Dept Biol, University Pk, PA 16802 USA. [Jiao, Yuannian; Der, Joshua P.; Wafula, Eric; dePamphilis, Claude W.] Penn State Univ, Intercoll Grad Program Plant Biol, University Pk, PA 16802 USA. [Min, Xiang Jia] Youngstown State Univ, Dept Biol Sci, Ctr Appl Chem Biol, Youngstown, OH 44555 USA. [Hudson, Karen A.] Purdue Univ, USDA ARS, W Lafayette, IN 47907 USA. [Singh, Ratnesh; Yu, Qingyi] Texas A&M Univ Syst, Dept Plant Pathol & Microbiol, Texas A&M AgriLife Res, Dallas, TX 75252 USA. [Karpowicz, Steven J.] Univ Cent Oklahoma, Dept Biol, Edmond, OK 73034 USA. [Watling, Jennifer R.] Univ Adelaide, Sch Earth & Environm Sci, Adelaide, SA 5005, Australia. [Ito, Kikukatsu] Iwate Univ, Fac Agr, Cryobiofrontier Res Ctr, Morioka, Iwate 0208550, Japan. [Robinson, Sharon A.] Univ Wollongong, Inst Conservat Biol, Wollongong, NSW 2522, Australia. [Hudson, Matthew E.] Univ Illinois, Dept Crop Sci, Urbana, IL 61801 USA. [Mockler, Todd C.] Donald Danforth Plant Sci Ctr, St Louis, MO 63132 USA. [Carroll, Andrew] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zheng, Yun] Fudan Univ, Inst Dev Biol & Mol Med, Shanghai 200433, Peoples R China. [Zheng, Yun] Fudan Univ, Sch Life Sci, Shanghai 200433, Peoples R China. [Sunkar, Ramanjulu] Oklahoma State Univ, Noble Res Ctr 246, Dept Biochem & Mol Biol, Stillwater, OK 74078 USA. [Jia, Ruizong; Wang, Ming-Li; Zhu, Yun J.] Hawaii Agr Res Ctr, Waipahu, HI 96797 USA. [Chen, Nancy; Paull, Robert E.] Univ Hawaii Manoa, Dept Trop Plant & Soil Sci, Honolulu, HI 96822 USA. [Zhang, Jisen] Fujian Normal Univ, Fuzhou 350117, Peoples R China. [Xiong, Wenwei; Du, Chunguang] Montclair State Univ, Dept Biol & Mol Biol, Montclair, NJ 07043 USA. [Zhu, Yun J.] China Acad Trop Agr Sci, Inst Trop Biosci & Biotechnol, Haikou 571101, Hainan, Peoples R China. [Britt, Anne B.] Univ Calif Davis, Dept Plant & Microbial Biol, Davis, CA 95161 USA. [Schuler, Mary A.] Univ Illinois, Dept Cell & Dev Biol, Urbana, IL 61801 USA. [Michael, Todd P.] Monsanto Co, Genome Anal Ctr, St Louis, MO 63167 USA. [Ort, Donald R.] ARS, Global Change & Photosynth Res Unit, USDA, Urbana, IL USA. [Schopf, J. William; Shen-Miller, Jane] Univ Calif Los Angeles, IGPP Ctr Study Evolut & Origin Life, Los Angeles, CA 90095 USA. [Buchanan, Bob B.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. RP Ming, R (reprint author), Chinese Acad Sci, Wuhan Bot Garden, Key Lab Plant Germplasm Enhancement & Specialty A, Lumo Rd, Wuhan 430074, Peoples R China. EM rming@life.uiuc.edu; shhli@wbgcas.cn; shenmiller@lifesci.ucla.edu RI Bowers, John/B-9245-2009; Sunkar, Ramanjulu/L-2982-2014; Jiang, Ning/G-6546-2012; Singh, Ratnesh/I-1392-2015; Mockler, Todd/L-2609-2013; Xiong, Wenwei/G-5010-2015; dePamphilis, Claude/P-6652-2016; Zheng, Yun/I-7011-2012; Tang, Haibao/A-6715-2011; Hudson, Matthew/A-4438-2008; Der, Joshua/F-9551-2012; Li, Leiting/F-6334-2013; Long, Stephen/A-2488-2008; Robinson, Sharon/B-2683-2008; OI Singh, Ratnesh/0000-0001-5647-3390; Mockler, Todd/0000-0002-0462-5775; Zheng, Yun/0000-0003-4292-9806; Tang, Haibao/0000-0002-3460-8570; Hudson, Matthew/0000-0002-4737-0936; Der, Joshua/0000-0001-9668-2525; Li, Leiting/0000-0002-9606-2497; Long, Stephen/0000-0002-8501-7164; Robinson, Sharon/0000-0002-7130-9617; Michael, Todd/0000-0001-6272-2875; Watling, Jennifer/0000-0001-6305-9905; Schatz, Michael/0000-0002-4118-4446; Nelson, David/0000-0003-0583-5421; Min, Xiangjia/0000-0001-7978-0596; Jiao, Yuannian/0000-0002-8987-2782; Blaby, Crysten/0000-0002-1583-1291 FU University of California, Los Angeles; Wuhan Botanical Garden, Chinese Academy of Sciences, P. R. China; University of Illinois at Urbana-Champaign FX We thank K. Hasenstein for collection of the fruits of Nelumbo lutea. This project was supported by the University of California, Los Angeles (JSM); Wuhan Botanical Garden, Chinese Academy of Sciences, P. R. China (SL); and the University of Illinois at Urbana-Champaign (RM). NR 33 TC 86 Z9 92 U1 11 U2 85 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1465-6906 EI 1474-760X J9 GENOME BIOL JI Genome Biol. PY 2013 VL 14 IS 5 AR R41 DI 10.1186/gb-2013-14-5-r41 PG 11 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 234YK UT WOS:000325680100001 PM 23663246 ER PT J AU Stoklosa, RJ Velez, J Kelkar, S Saffron, CM Thies, MC Hodge, DB AF Stoklosa, Ryan J. Velez, Julian Kelkar, Shantanu Saffron, Christopher M. Thies, Mark C. Hodge, David B. TI Correlating lignin structural features to phase partitioning behavior in a novel aqueous fractionation of softwood Kraft black liquor SO GREEN CHEMISTRY LA English DT Article ID SIZE-EXCLUSION CHROMATOGRAPHY; MOLECULAR-WEIGHT DISTRIBUTION; INDUSTRIAL APPLICATIONS; LIGHT-SCATTERING; NMR; DERIVATIVES; PROPENSITY; ASSOCIATE; RECOVERY; ORIGIN AB In this work, a set of softwood lignins were recovered from a Kraft black liquor using a novel pH-based fractionation process involving sequential CO2 acidification and separation of the solvated aqueous lignin fraction. These recovered lignin fractions were characterized with respect to properties that may be responsible for their phase partitioning behavior as well as properties that may render the lignins more suitable for materials applications. Lignin fractions were recovered between a pH range of 12.8 and 9.5 with the bulk of the lignin (90%) recovered between a pH of 11.1 and 10.0. While all the fractions were found to consist primarily of lignin as validated by sample methoxyl content, the first fractions to phase separated were found to be especially enriched in aliphatic extractives and polysaccharides. From the bulk of the lignin that was recovered between a pH of 11.1 and 10.0 a number of noteworthy trends were discernible from the data. Specifically, the phenolic hydroxyl content was found to exhibit a strong negative correlation to the fractionation pH and exhibited a nearly 50% increase with recovery at decreasing pH, while the GPC-estimated molecular weights and C-13 NMR-estimated beta-O-4 content showed strong positive correlations to the pH at recovery. The aliphatic hydroxyl content exhibited minimal differences between recovery conditions. Overall, these results suggest that this fractionation approach can generate lignin fractions enriched in select physical or structural properties that may be important for their application as feedstocks for renewable chemicals or materials. C1 [Stoklosa, Ryan J.; Kelkar, Shantanu; Hodge, David B.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Velez, Julian; Thies, Mark C.] Clemson Univ, Ctr Adv Engn Fibers & Films, Dept Chem & Biomol Engn, Clemson, SC 29634 USA. [Kelkar, Shantanu; Saffron, Christopher M.; Hodge, David B.] Michigan State Univ, Dept Biosyst & Agr Engn, E Lansing, MI 48824 USA. [Saffron, Christopher M.; Hodge, David B.] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Hodge, David B.] Lulea Univ Technol, Dept Civil Environm & Nat Resources Engn, Lulea, Sweden. RP Stoklosa, RJ (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. EM hodgeda@egr.msu.edu FU NE Sun Grant Initiative; NSF [0757020]; National Science Foundation [CBET-1236759] FX RJS was funded in part by the NE Sun Grant Initiative. Natassa Christides (Michigan State University) provided laboratory assistance and was supported by an NSF Due Grant (#0757020). Funding for JV was provided by the National Science Foundation under Grant no. CBET-1236759. NR 59 TC 21 Z9 22 U1 1 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PY 2013 VL 15 IS 10 BP 2904 EP 2912 DI 10.1039/c3gc41182f PG 9 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 233TY UT WOS:000325593600035 ER PT J AU Botterud, A Zhou, Z Wang, JH Sumaili, J Keko, H Mendes, J Bessa, RJ Miranda, V AF Botterud, Audun Zhou, Zhi Wang, Jianhui Sumaili, Jean Keko, Hrvoje Mendes, Joana Bessa, Ricardo J. Miranda, Vladimiro TI Demand Dispatch and Probabilistic Wind Power Forecasting in Unit Commitment and Economic Dispatch: A Case Study of Illinois SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY LA English DT Article DE Demand dispatch; dynamic operating reserves; economic dispatch; electricity markets; probabilistic forecasts; unit commitment; wind power ID ENERGY DEMAND; GENERATION; ELASTICITIES; SECURITY; SYSTEMS AB In this paper, we analyze how demand dispatch combined with the use of probabilistic wind power forecasting can help accommodate large shares of wind power in electricity market operations. We model the operation of day-ahead and real-time electricity markets, which the system operator clears by centralized unit commitment and economic dispatch. We use probabilistic wind power forecasting to estimate dynamic operating reserve requirements, based on the level of uncertainty in the forecast. At the same time, we represent price responsive demand as a dispatchable resource, which adds flexibility in the system operation. In a case study of the power system in Illinois, we find that both demand dispatch and probabilistic wind power forecasting can contribute to efficient operation of electricity markets with large shares of wind power. C1 [Botterud, Audun; Zhou, Zhi; Wang, Jianhui] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. [Sumaili, Jean; Keko, Hrvoje; Mendes, Joana; Bessa, Ricardo J.; Miranda, Vladimiro] Univ Porto, Fac Engn, INESC TEC, P-4200465 Oporto, Portugal. RP Botterud, A (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM abotterud@anl.gov; zzhou@anl.gov; jianhui.wang@anl.gov; jean.sumaili@inescporto.pt; hkeko@inescporto.pt; joana.p.mendes@inescporto.pt; rbessa@inescporto.pt; vmiranda@inescporto.pt RI Miranda, Vladimiro/H-6245-2012; OI Sumaili, Jean/0000-0002-0231-1043; Bessa, Ricardo/0000-0002-3808-0427; Miranda, Vladimiro/0000-0002-5772-8452 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy through its Wind and Water Power Program; FCT-Fundacaopara a Ciencia e a Tecnologia-within the program "Ciencia"; FCT [SFRH/BD/43087/2008, SFRH/BD/33738/2009] FX Manuscript received September 02, 2011; revised July 06, 2012; accepted August 16, 2012. Date of publication October 09, 2012; date of current version December 12, 2012. The main sponsor for the research presented in this paper was the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy through its Wind and Water Power Program. The work of J. Sumaili was supported by FCT-Fundacaopara a Ciencia e a Tecnologia-within the program "Ciencia 2008." The work of H. Keko was supported by the FCT Ph.D. Scholarship SFRH/BD/43087/2008. The work of R. J. Bessa was supported by the FCT Ph.D. Scholarship SFRH/BD/33738/2009. NR 37 TC 37 Z9 40 U1 2 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-3029 J9 IEEE T SUSTAIN ENERG JI IEEE Trans. Sustain. Energy PD JAN PY 2013 VL 4 IS 1 BP 250 EP 261 DI 10.1109/TSTE.2012.2215631 PG 12 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Electrical & Electronic SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA 231RT UT WOS:000325435800027 ER PT S AU Strack, G Nichols, R Atanassov, P Luckarift, HR Johnson, GR AF Strack, Guinevere Nichols, Robert Atanassov, Plamen Luckarift, Heather R. Johnson, Glenn R. BE Guisan, JM TI Modification of Carbon Nanotube Electrodes with 1-Pyrenebutanoic Acid, Succinimidyl Ester for Enhanced Bioelectrocatalysis SO IMMOBILIZATION OF ENZYMES AND CELLS, 3RD EDITION SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Direct electron transfer (DET); 1-Pyrenebutanoic acid; succinimidyl ester (PBSE); Buckypaper (BP); Carbon nanotube (CNT); Laccase; Pyrroloquinoline quinone-dependent glucose dehydrogenase (PQQ-GDH); Biological fuel cell; Glucose; Cathode; Anode; Cyclic voltammetry; Polarization curve; Contact angle; Enzyme; Bioelectrochemistry; Multi-copper oxidase; Oxygen reduction reaction (ORR) ID GLUCOSE-DEHYDROGENASE; REDUCTION; CELL AB Conductive materials functionalized with redox enzymes provide bioelectronic architectures with application to biological fuel cells and biosensors. Effective electron transfer between the enzyme (biocatalyst) and the conductive materials is imperative for function. Various nanostructured carbon materials are common electrode choices for these applications as both the materials' inherent conductivity and physical integrity aids optimal performance. The following chapter presents a method for the use of carbon nanotube buckypaper as a conductive architecture suitable for biocatalyst functionalization. In order to securely attach the biocatalyst to the carbon nanotube surface, the conductive buckypaper is modified with the heterobifunctional cross-linker, 1-pyrenebutanoic acid, succinimidyl ester. The technique effectively tethers the enzyme to the carbon nanotube which enhances bioelectrocatalysis, preserves the conductive nature of the carbon surface, and facilities direct electron transfer between the catalyst and material interface. The approach is demonstrated using phenol oxidase (laccase) and pyrroloquinoline quinone-dependent glucose dehydrogenase PQQ-GDH, as representative biocatalysts. C1 [Strack, Guinevere] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Strack, Guinevere; Nichols, Robert] Tyndall Air Force Base, Airbase Sci Branch, Air Force Res Lab, Panama City, FL USA. [Nichols, Robert; Luckarift, Heather R.] Universal Technol Corp, Dayton, OH USA. [Atanassov, Plamen] Univ New Mexico, Dept Chem & Nucl Engn, Ctr Emerging Energy Technol, Albuquerque, NM 87131 USA. [Johnson, Glenn R.] Integrat Innovat Inc i3, Huntsville, AL USA. RP Strack, G (reprint author), Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. NR 13 TC 5 Z9 5 U1 3 U2 18 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-62703-550-7; 978-1-62703-549-1 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2013 VL 1051 BP 217 EP 228 DI 10.1007/978-1-62703-550-7_14 D2 10.1007/978-1-62703-550-7 PG 12 WC Cell Biology SC Cell Biology GA BHH98 UT WOS:000325473500015 PM 23934807 ER PT J AU Klobukowski, ER Tenhaeff, WE McCamy, JW Harris, CS Narula, CK AF Klobukowski, Erik R. Tenhaeff, Wyatt E. McCamy, James W. Harris, Caroline S. Narula, Chaitanya K. TI Atmospheric pressure chemical vapor deposition of high silica SiO2-TiO2 antireflective thin films for glass based solar panels SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID SUBMICROMETER GRATINGS; TIXSI1-XO2 FILMS; PRECURSOR; TITANIUM; BEHAVIOR; CELLS; CVD AB The atmospheric pressure chemical vapor deposition (APCVD) of SiO2-TiO2 thin films on glass by employing a [[((BuO)-Bu-t)(3)SiO](2)-Ti((OPr)-Pr-i)(2)] single-source precursor, which can be prepared from commercially available materials, results in antireflective thin films with high silica SiO2 : TiO2 ratio (i.e. SiO2 > 1) on float glass under industrially relevant manufacturing conditions. C1 [Klobukowski, Erik R.; Tenhaeff, Wyatt E.; Narula, Chaitanya K.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [McCamy, James W.; Harris, Caroline S.] PPG Ind Inc, Solar Performance Grp, Cheswick, PA 15024 USA. RP Narula, CK (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008, Oak Ridge, TN 37831 USA. EM narulck@ornl.gov FU U.S. Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Solar Office [DE-AC05-00OR22725]; UT-Battelle, LLC; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was sponsored by the U.S. Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Solar Office under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. The spectroscopic ellipsometry of the coated glass was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The authors also thank Dr Gerald E. Jellison for use of his ellipsometer and helpful discussions. NR 25 TC 7 Z9 7 U1 0 U2 21 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 EI 2050-7534 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2013 VL 1 IS 39 BP 6188 EP 6190 DI 10.1039/c3tc31465k PG 3 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 222UN UT WOS:000324757400003 ER PT J AU Ratcliff, EL Bakus, RC Welch, GC van der Poll, TS Garcia, A Cowan, SR MacLeod, BA Ginley, DS Bazan, GC Olson, DC AF Ratcliff, Erin L. Bakus, Ronald C., II Welch, Gregory C. van der Poll, Tom S. Garcia, Andres Cowan, Sarah R. MacLeod, Bradley A. Ginley, David S. Bazan, Guillermo C. Olson, Dana C. TI Formation of interfacial traps upon surface protonation in small molecule solution processed bulk heterojunctions probed by photoelectron spectroscopy SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID ORGANIC SOLAR-CELLS; HOLE-TRANSPORT LAYERS; OPEN-CIRCUIT VOLTAGE; CONVERSION EFFICIENCY; ELECTRONIC-STRUCTURE; PHOTOVOLTAIC CELLS; PERFORMANCE; RECOMBINATION; NIO; DYNAMICS AB This work expands on the recently reported protonation of the donor molecule 7,7'-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl)bis(4-(5'-hexyl-[2,2'-bithiophen]-5-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine) (d-DTS(PTTh2)(2)) by the poly(3,4-ethylenedioxythiophene): poly(styrenesulfonate) (PEDOT:PSS) interlayer to include an electrostatic picture of interfacial energetic states. Ultraviolet photoemission spectroscopy results initially suggested favorable band level alignment for hole extraction between d-DTS(PTTh2)(2) and PEDOT: PSS. However photovoltaic device performance yields a low fill factor and photovoltage, indicative of poor hole-extraction at the hole-collecting interface, relative to the nickel oxide device. Further investigation into the interfacial composition via theory and X-ray photoelectron studies of both the interface and a control system of d-DTS(PTTh2)(2) reacted with p-toluenesulfonic acid verify the presence of a chemically unique species at the interface arising from protonation reaction with the residual acidic protons present in PEDOT:PSS that was masked in the UPS experiment. From these results, the energy band diagram is re-interpreted to account for the interfacial chemical reaction and modified interfacial density of states. Additionally, the detrimental protonation reaction is avoided when the pyridyl[1,2,5]thiadiazole acceptor unit was replaced with a 5-fluorobenzo[c][1,2,5]thiadiazole acceptor unit, which shows no such reaction with the PEDOT: PSS substrate. These results indicate the necessity of using a large analytical toolkit to elucidate the energetics and mechanisms of buried interfaces that will impact dynamics of hole collection. C1 [Ratcliff, Erin L.] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85719 USA. [Bakus, Ronald C., II; Welch, Gregory C.; van der Poll, Tom S.; Bazan, Guillermo C.] Univ Calif Santa Barbara, Dept Chem, Santa Barbara, CA 93106 USA. [Garcia, Andres; Cowan, Sarah R.; MacLeod, Bradley A.; Ginley, David S.; Olson, Dana C.] Natl Renewable Energy Lab, Golden, CO USA. RP Ratcliff, EL (reprint author), Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85719 USA. EM ratcliff@email.arizona.edu; dana.olson@nrel.gov RI MacLeod, Bradley/F-5589-2013; Bazan, Guillermo/B-7625-2014 OI MacLeod, Bradley/0000-0001-5319-3051; FU Center for Interface Science: Solar Electric Materials, an Energy Frontier Research Center; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001084, DE-DC0001009]; Center for Energy Efficient Materials, an Energy Frontier Research Center; US Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE); Center for Scientific Computing at the CNSI; MRL: an NSF MRSEC [DMR-1121053]; NSF [CNS-0960316] FX ELR would like to thank Dr Selina Olthof (University of Cologne) for insightful conversations. ELR was supported by the Center for Interface Science: Solar Electric Materials, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001084. RCB, GCW, TSvdP, AG, BAM, DSG, GCB, and DCO were supported by the Center for Energy Efficient Materials, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-DC0001009. SRC acknowledges funding from the US Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE), Postdoctoral Research Fellowship through the SunShot Solar Energy Technologies Program. We acknowledge support from the Center for Scientific Computing at the CNSI and MRL: an NSF MRSEC (DMR-1121053) and NSF CNS-0960316. NR 51 TC 13 Z9 13 U1 0 U2 41 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 EI 2050-7534 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2013 VL 1 IS 39 BP 6223 EP 6234 DI 10.1039/c3tc31064g PG 12 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 222UN UT WOS:000324757400009 ER PT J AU Del Gobbo, S Castrucci, P Fedele, S Riele, L Convertino, A Morbidoni, M De Nicola, F Scarselli, M Camilli, L De Crescenzi, M AF Del Gobbo, S. Castrucci, P. Fedele, S. Riele, L. Convertino, A. Morbidoni, M. De Nicola, F. Scarselli, M. Camilli, L. De Crescenzi, M. TI Silicon spectral response extension through single wall carbon nanotubes in hybrid solar cells SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID EFFICIENCY AB Photovoltaic devices based on single wall carbon nanotubes (SWCNTs) and n-silicon multiple heterojunctions have been fabricated by a SWCNT film transferring process. We report on the ability of the carbon nanotubes to extend the Si spectral range towards the near ultraviolet (UV) and the near infrared regions. Semiconducting and about metallic SWCNT networks have been studied as a function of the film sheet resistance, R-sh. Optical absorbance and Raman spectroscopy have been used to assign nanotube chirality and electronic character. This gave us hints of evidence of the participation of the metal nanotubes in the photocurrent generation. Moreover, we provide evidence that the external quantum efficiency spectral range can be modulated as a function of the SWCNT network sheet resistance in a hybrid SWCNT/Si solar cell. This result will be very useful to further design/optimize devices with improved performance in spectral regions generally not covered by conventional Si p-n devices. C1 [Del Gobbo, S.] King Abdullah Univ Sci & Technol, Solar & Photovolta Engn Res Ctr, Thuwal, Saudi Arabia. [Castrucci, P.; Fedele, S.; Riele, L.; Morbidoni, M.; De Nicola, F.; Scarselli, M.; Camilli, L.; De Crescenzi, M.] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy. [Convertino, A.] CNR, Ist Microelettron & Microsistemi, I-00133 Rome, Italy. [Camilli, L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Del Gobbo, S (reprint author), King Abdullah Univ Sci & Technol, Solar & Photovolta Engn Res Ctr, Thuwal, Saudi Arabia. EM silvano.dgobbo@kaust.edu.sa RI Del Gobbo, Silvano/A-8810-2014; Camilli, Luca/C-4785-2016; OI Camilli, Luca/0000-0003-2498-0210; Scarselli, Manuela/0000-0002-5611-0319; De Nicola, Francesco/0000-0002-5209-6353 FU EOARD (European Office of Aerospace Research and Development) through Air Force Office of Scientific Research Material Command, USAF [FA8655-11-1-3036] FX The authors thank Prof. Francesca Nanni of the Department of Chemistry, University of Roma Tor Vergata, for SEM measurements. We acknowledge the financial support of the EOARD (European Office of Aerospace Research and Development) through Air Force Office of Scientific Research Material Command, USAF, under Grant no. FA8655-11-1-3036. NR 36 TC 8 Z9 8 U1 1 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 EI 2050-7534 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2013 VL 1 IS 41 BP 6752 EP 6758 DI 10.1039/c3tc31038h PG 7 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 235ZU UT WOS:000325763600004 ER PT J AU Fukada, S Terai, T Konishi, S Katayama, K Chikada, T Edao, Y Muroga, T Shimada, M Merrill, B Sze, DK AF Fukada, S. Terai, T. Konishi, S. Katayama, K. Chikada, T. Edao, Y. Muroga, T. Shimada, M. Merrill, B. Sze, D. K. TI Clarification of Tritium Behavior in Pb-Li Blanket System SO MATERIALS TRANSACTIONS LA English DT Article DE lead-lithium; liquid blanket; tritium; isotope effects; solubility; diffusivity; permeability; ceramic coating ID FUSION-REACTOR; HYDROGEN ISOTOPES; EUTECTIC ALLOY; PHASE-DIAGRAM; LEAD-LITHIUM; DIFFUSION; RECOVERY; PB-17LI AB In order to clarify the tritium behavior in Pb-Li blanket system, the solubility of hydrogen isotopes in the Pb-Li eutectic alloy was experimentally investigated. The effects of (i) Li preferential evaporation from Pb-Li, (ii) thermal convection in a quartz-glass reaction tube and (iii) difference in crucible materials between Al2O3 and W on the solubilities were discussed. Another important issue of the Pb-Li blanket system is to develop a new ceramic coating to decrease tritium permeation rate. Tritium permeation test was performed for Er2O3 coating on F82H. The permeation reduction factor achieved here was higher than 10(3). Precise experiments were carried out to determine the solubility, diffusivity and permeability of hydrogen isotopes in Pb-Li eutectic alloy by means of a transient permeation method. The isotope effects in solubility and diffusivity between H and D were clarified. No isotope effect in solubility was observed between H and D, and the H diffusivity was 1.4 times larger than the D one. The ratio was near to a value predicted from the classical theory. Experiment using tritium is designed under the collaboration work with INL. C1 [Fukada, S.; Katayama, K.; Edao, Y.] Kyushu Univ, Interdisciplinary Grad Sch Engn Sci, Dept Adv Energy Engn Sci, Fukuoka 8128581, Japan. [Terai, T.; Chikada, T.] Univ Tokyo, Inst Engn Innovat, Dept Nucl Engn & Management, Tokyo 1138656, Japan. [Konishi, S.] Kyoto Univ, Adv Atom Energy Res Sect, Inst Adv Energy, Kyoto 6110011, Japan. [Edao, Y.] Japan Atom Energy Agcy, Ibaraki 3191195, Japan. [Muroga, T.] Natl Inst Nat Sci, Natl Inst Fus Sci, Toki, Gifu 5095292, Japan. [Shimada, M.; Merrill, B.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Sze, D. K.] Univ Calif San Diego, La Jolla, CA 92093 USA. RP Fukada, S (reprint author), Kyushu Univ, Interdisciplinary Grad Sch Engn Sci, Dept Adv Energy Engn Sci, Fukuoka 8128581, Japan. RI U-ID, Kyushu/C-5291-2016; OI Shimada, Masashi/0000-0002-1592-843X NR 22 TC 2 Z9 2 U1 0 U2 8 PU JAPAN INST METALS PI SENDAI PA 1-14-32, ICHIBANCHO, AOBA-KU, SENDAI, 980-8544, JAPAN SN 1345-9678 EI 1347-5320 J9 MATER TRANS JI Mater. Trans. PY 2013 VL 54 IS 4 BP 425 EP 429 DI 10.2320/matertrans.MG201203 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 235HE UT WOS:000325707000003 ER PT J AU Hatano, Y Shimada, M Oya, Y Cao, GP Kobayashi, M Hara, M Merrill, BJ Okuno, K Sokolov, MA Katoh, Y AF Hatano, Yuji Shimada, Masashi Oya, Yasuhisa Cao, Guoping Kobayashi, Makoto Hara, Masanori Merrill, Brad J. Okuno, Kenji Sokolov, Mikhail A. Katoh, Yutai TI Retention of Hydrogen Isotopes in Neutron Irradiated Tungsten SO MATERIALS TRANSACTIONS LA English DT Article DE plasma-facing material; tungsten; hydrogen isotope; irradiation; trapping effect ID DEUTERIUM RETENTION; DAMAGED TUNGSTEN AB To investigate the effects of neutron irradiation on hydrogen isotope retention in tungsten, disk-type specimens of pure tungsten were irradiated in the High Flux Isotope Reactor in Oak Ridge National Laboratory followed by exposure to high flux deuterium (D) plasma in Idaho National Laboratory. The results obtained for low dose n-irradiated specimens (0.025 dpa for tungsten) are reviewed in this paper. Irradiation at coolant temperature of the reactor (around 50 degrees C) resulted in the formation of strong trapping sites for D atoms. The concentrations of D in nirradiated specimens were ranging from 0.1 to 0.4 mol% after exposure to D plasma at 200 and 500 degrees C and significantly higher than those in non-irradiated specimens because of D-trapping by radiation defects. Deep penetration of D up to a depth of 50-100 mu m was observed at 500 degrees C. Release of D in subsequent thermal desorption measurements continued up to 900 degrees C. These results were compared with the behaviour of D in ion-irradiated tungsten, and distinctive features of n-irradiation were discussed. C1 [Hatano, Yuji; Hara, Masanori] Toyama Univ, Hydrogen Isotope Res Ctr, Toyama 9308555, Japan. [Shimada, Masashi; Merrill, Brad J.] Idaho Natl Lab, Fus Safety Program, Idaho Falls, ID 83415 USA. [Oya, Yasuhisa; Kobayashi, Makoto; Okuno, Kenji] Shizuoka Univ, Fac Sci, Shizuoka 4228529, Japan. [Cao, Guoping] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Sokolov, Mikhail A.; Katoh, Yutai] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hatano, Y (reprint author), Toyama Univ, Hydrogen Isotope Res Ctr, Toyama 9308555, Japan. OI Shimada, Masashi/0000-0002-1592-843X FU Japan-US joint research project TITAN; MEXT, Japan [476]; National Institute of Fusion Science, Japan [NIFS10KUMR004, NIFS11KEMF018] FX The authors express their sincere thanks to Prof. Y. Ueda (Osaka University) and Dr. V. Kh. Alimov (University of Toyama) for fruitful discussion. This work was supported by the Japan-US joint research project TITAN, Kakenhi on Priority Areas, 476, Tritium for Fusion, from MEXT, Japan and the Collaboration Research Programs of National Institute of Fusion Science, Japan (NIFS10KUMR004 and NIFS11KEMF018). NR 21 TC 8 Z9 8 U1 11 U2 31 PU JAPAN INST METALS PI SENDAI PA 1-14-32, ICHIBANCHO, AOBA-KU, SENDAI, 980-8544, JAPAN SN 1345-9678 EI 1347-5320 J9 MATER TRANS JI Mater. Trans. PY 2013 VL 54 IS 4 BP 437 EP 441 DI 10.2320/matertrans.MG201204 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 235HE UT WOS:000325707000005 ER PT J AU Hashimoto, N Oka, H Muroga, T Nagasaka, T Kimura, A Ukai, S Yamamoto, T Sokolov, MA AF Hashimoto, Naoyuki Oka, Hiroshi Muroga, Takeo Nagasaka, Takuya Kimura, Akihiko Ukai, Shigeharu Yamamoto, Takuya Sokolov, Michail A. TI Irradiation Effect on Tensile Property of F82H IEA and Its Joint in TITAN Project SO MATERIALS TRANSACTIONS LA English DT Article DE neutron irradiation; tensile property; deformation mode ID ACTIVATION FERRITIC/MARTENSITIC STEELS; DEFORMATION; HFIR AB Under the TITAN project, in order to determine the contributions of different microstructural features to strength and to deformation mode, microstructure of deformed flat tensile specimens of irradiated reduced activation F82H IEA and its joint were investigated by transmission electron microscopy (TEM), following tensile test and fracture surface examination by scanning electron microscopy (SEM). After irradiation, changes in yield strength, deformation mode, and strain-hardening capacity were seen, with the magnitude of the changes dependent on irradiation temperature. Irradiation to F82H IEA at 573 K led to a significant loss of strain-hardening capacity with a large change in yield strength. There was a tendency for a reduction in strain rate to cause a decrease in yield strength and elongation. While, irradiation at 773 K had little effect on strength, but a reduction in strain rate caused a decrease in ductility. SEM revealed fracture surfaces showing a martensitic mixed quasi-cleavage and ductile-dimple fracture in all samples. TEM have exhibited defect free bands (dislocation channels) in the necked region irradiated at 573 K. This suggests that dislocation channeling would be the dominant deformation mechanism in this steel irradiated at 573 K, resulting in the loss of strain-hardening capacity. While, the necked region of the irradiated F82H IEA joint, where showed less hardening than F82H IEA, has showed deformation bands only. From these results, it is suggested that the pre-irradiation microstructure, especially the dislocation density, could affect the post-irradiation deformation mode. C1 [Hashimoto, Naoyuki; Oka, Hiroshi; Ukai, Shigeharu] Hokkaido Univ, Dept Mat Sci & Engn, Sapporo, Hokkaido 0608628, Japan. [Muroga, Takeo; Nagasaka, Takuya] Natl Inst Nat Sci, Natl Inst Fus Sci, Dept Helical Plasma Res, Toki, Gifu 5095292, Japan. [Kimura, Akihiko] Kyoto Univ, Inst Adv Energy, Uji, Kyoto 6110011, Japan. [Yamamoto, Takuya] Univ Calif Santa Barbara, Dept Mech Engn, Santa Barbara, CA 93106 USA. [Sokolov, Michail A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hashimoto, N (reprint author), Hokkaido Univ, Dept Mat Sci & Engn, Sapporo, Hokkaido 0608628, Japan. EM hasimoto@eng.hokudai.ac.jp NR 10 TC 2 Z9 2 U1 1 U2 14 PU JAPAN INST METALS PI SENDAI PA 1-14-32, ICHIBANCHO, AOBA-KU, SENDAI, 980-8544, JAPAN SN 1345-9678 EI 1347-5320 J9 MATER TRANS JI Mater. Trans. PY 2013 VL 54 IS 4 BP 442 EP 445 DI 10.2320/matertrans.MG201207 PG 4 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 235HE UT WOS:000325707000006 ER PT J AU Hinoki, T Katoh, Y Snead, LL Jung, HC Ozawa, K Katsui, H Zhong, ZH Kondo, S Park, YH Shih, CH Parish, CM Meisner, RA Hasegawa, A AF Hinoki, Tatsuya Katoh, Yutai Snead, Lance L. Jung, Hun-Chae Ozawa, Kazumi Katsui, Hirokazu Zhong, Zhi-Hong Kondo, Sosuke Park, Yi-Hyun Shih, Chunghao Parish, Chad M. Meisner, Roberta A. Hasegawa, Akira TI Silicon Carbide and Silicon Carbide Composites for Fusion Reactor Application SO MATERIALS TRANSACTIONS LA English DT Article DE SiC composites; fusion reactor; assembly technique; joining; irradiation effect; irradiation creep; tritum ID SIC/SIC COMPOSITES; IRRADIATION; COMPONENTS AB This paper reviews recent achievements as to "nuclear-grade" SiC composites in particular for materials-system integration. SiC composite component development are reviewed including VHTR control rod scale model and compact intermediate heat exchanger scale mode by current joining and assembly techniques. Joining methods for SiC to metal and results of characterization of joint shear strength by the torsion tests using small specimens were also reviewed. The recent results of neutron irradiation experiments were also reviewed including detailed analysis of mechanical properties, irradiation creep and preliminary results on tritium behavior in SiC. C1 [Hinoki, Tatsuya; Jung, Hun-Chae; Zhong, Zhi-Hong; Park, Yi-Hyun] Kyoto Univ, Inst Adv Energy, Uji, Kyoto 6110011, Japan. [Katoh, Yutai; Snead, Lance L.; Ozawa, Kazumi; Kondo, Sosuke; Shih, Chunghao; Parish, Chad M.; Meisner, Roberta A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Katsui, Hirokazu] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan. [Hasegawa, Akira] Tohoku Univ, Dept Quantum Sci & Energy Engn, Sendai, Miyagi 9808579, Japan. RP Hinoki, T (reprint author), Kyoto Univ, Inst Adv Energy, Uji, Kyoto 6110011, Japan. EM hinoki@iae.kyoto-u.ac.jp RI Parish, Chad/J-8381-2013; Katsui, Hirokazu/A-8115-2011 OI Katsui, Hirokazu/0000-0002-6715-7788 NR 16 TC 9 Z9 9 U1 4 U2 44 PU JAPAN INST METALS PI SENDAI PA 1-14-32, ICHIBANCHO, AOBA-KU, SENDAI, 980-8544, JAPAN SN 1345-9678 EI 1347-5320 J9 MATER TRANS JI Mater. Trans. PY 2013 VL 54 IS 4 BP 472 EP 476 DI 10.2320/matertrans.MG201206 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 235HE UT WOS:000325707000011 ER PT J AU Sagara, A Nygren, R Miyamoto, M Nishijima, D Doerner, R Fukada, S Oya, Y Oda, T Watanabe, Y Morishita, K Gao, F Norimatsu, T AF Sagara, A. Nygren, R. Miyamoto, M. Nishijima, D. Doerner, R. Fukada, S. Oya, Y. Oda, T. Watanabe, Y. Morishita, K. Gao, F. Norimatsu, T. TI Integrated Material System Modeling of Fusion Blanket SO MATERIALS TRANSACTIONS LA English DT Article DE blanket; tungsten; tritium; irradiation ID HYDROGEN ISOTOPES; EUTECTIC ALLOY; LITHIUM-LEAD; TUNGSTEN; IRRADIATION; BEHAVIOR; DIFFUSION AB The blanket of fusion reactors is a multifunctional system that breeds tritium, harvests heat from the burning plasma, and protects the other components and the environment. The common task in the US-J TITAN (Tritium, Irradiation and Thermofluid for America and Nippon) project identifies cross-linked considerations in the blanket system modeling on the basis of the material research in each task. In this paper, we review the main outputs of this task: elucidation of the effect of helium on deuterium retention in the tungsten wall, analysis of tritium transfer in a Pb-Li liquid breeder, experimental and computational studies on the effects of radiation damage on hydrogen trapping, and modeling of the tritium barrier in a double-tube heat exchanger. C1 [Sagara, A.] Natl Inst Nat Sci, Natl Inst Fus Sci, Toki, Gifu 5095292, Japan. [Nygren, R.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Miyamoto, M.] Shimane Univ, Matsue, Shimane 6908504, Japan. [Nishijima, D.; Doerner, R.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Fukada, S.] Kyushu Univ, Fukuoka 8128581, Japan. [Oya, Y.] Shizuoka Univ, Shizuoka 4228529, Japan. [Oda, T.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Watanabe, Y.; Morishita, K.] Kyoto Univ, Inst Adv Energy, Kyoto 6110011, Japan. [Gao, F.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Norimatsu, T.] Osaka Univ, Inst Laser Engn, Suita, Osaka 5650871, Japan. RP Sagara, A (reprint author), Natl Inst Nat Sci, Natl Inst Fus Sci, 322-6 Oroshicho, Toki, Gifu 5095292, Japan. EM sagara.akio@LHD.nifs.ac.jp RI Norimatsu, Takayoshi/I-5710-2015; U-ID, Kyushu/C-5291-2016 FU Japan-US cooperation program TITAN; Japan-MEXT; US-DOE FX This work is supported by the Japan-US cooperation program TITAN sponsored by Japan-MEXT and US-DOE. NR 32 TC 1 Z9 1 U1 1 U2 15 PU JAPAN INST METALS PI SENDAI PA 1-14-32, ICHIBANCHO, AOBA-KU, SENDAI, 980-8544, JAPAN SN 1345-9678 EI 1347-5320 J9 MATER TRANS JI Mater. Trans. PY 2013 VL 54 IS 4 BP 477 EP 483 DI 10.2320/matertrans.MG201210 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 235HE UT WOS:000325707000012 ER PT S AU Clukey, S Xu, SH AF Clukey, Steven Xu, Songhua BE Law, MY Boonn, WW TI Recommending Images of User Interests from the Biomedical Literature SO MEDICAL IMAGING 2013: ADVANCED PACS-BASED IMAGING INFORMATICS AND THERAPEUTIC APPLICATIONS SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Advanced PACS-Based Imaging Informatics and Therapeutic Applications CY FEB 12-14, 2013 CL Lake Buena Vista, FL SP SPIE, Aeroflex Inc, Univ Cent Florida, CREOL Coll Opt & Photon, DQE Instruments Inc, Medtronic Inc, PIXELTEQ DE Image recommendation; biomedical literature; biomedical images; text mining; co-author distance ID PERSONALIZED RECOMMENDATIONS; ANNOTATION; SYSTEMS AB Every year hundreds of thousands of biomedical images are published in journals and conferences. Consequently, finding images relevant to one's interests becomes an ever daunting task. This vast amount of literature creates a need for intelligent and easy-to-use tools that can help researchers effectively navigate through the content corpus and conveniently locate materials of their interests. Traditionally, literature search tools allow users to query content using topic keywords. However, manual query composition is often time and energy consuming. A better system would be one that can automatically deliver relevant content to a researcher without having the end user manually manifest one's scratch intent and interest via search queries. Such a computer-aided assistance for information access can be provided by a system that first determines a researcher's interests automatically and then recommends images relevant to the person's interests accordingly. The technology can greatly improve a researcher's ability to stay up to date in their fields of study by allowing them to efficiently browse images and documents matching their needs and interests among the vast amount of the biomedical literature. A prototype system implementation of the technology can be accessed via http://www.smartdataware.com. C1 [Clukey, Steven] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. RP Xu, SH (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM xus1@ornl.gov FU UT-Battelle; LLC [DE-AC05-00OR22725]; U.S. Department of Energy FX This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 33 TC 0 Z9 0 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9448-1 J9 PROC SPIE PY 2013 VL 8674 AR 86740G DI 10.1117/12.2008144 PG 9 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BHG83 UT WOS:000325369900013 ER PT S AU Huang, QY Xu, SH Luo, XN AF Huang, Qingying Xu, Songhua Luo, Xiaonan BE Law, MY Boonn, WW TI Example-Based Segmentation for Breast Mass Images SO MEDICAL IMAGING 2013: ADVANCED PACS-BASED IMAGING INFORMATICS AND THERAPEUTIC APPLICATIONS SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Advanced PACS-Based Imaging Informatics and Therapeutic Applications CY FEB 12-14, 2013 CL Lake Buena Vista, FL SP SPIE, Aeroflex Inc, Univ Cent Florida, CREOL Coll Opt & Photon, DQE Instruments Inc, Medtronic Inc, PIXELTEQ DE breast mass images; mass segmentation; regular grid cells; example-based segmentation ID CONCENTRIC MORPHOLOGY MODEL; ARCHITECTURAL DISTORTION; MAMMOGRAPHIC MASSES; SPICULATED LESIONS; LEVEL SET; DIAGNOSIS AB A new example-based mass segmentation algorithm is proposed for breast mass images. The training examples used in the new algorithm are prepared by three medical imaging professionals who manually outlined mass contours of 45 sample breast mass images. These manually segmented mass images are then partitioned into small regular grid cells, which are used as reference samples by the algorithm. Each time when the algorithm is applied to segment a previously unseen breast mass image, it first detects grid cell regions in the image that likely overlap with the underlying mass region. Upon identifying such candidate regions, the algorithm then locates the exact mass contour through an example based segmentation procedure where the algorithm retrieves, transfers, and re-applies the human expert knowledge regarding mass segmentation as encoded in the reference samples. The key advantage of our approach lies in its adaptability in tailoring to the skills and preferences of multiple experts through simply switching to a different corpus of human segmentation samples. To explore the effectiveness of the new approach, we comparatively evaluated the accuracy of the algorithm for mass segmentation against segmentation results both manually produced by several medical imaging professionals and automatically by a state-of-the-art level set based method. The comparison results demonstrate that the new algorithm achieves a higher accuracy than the level set based peer method with statistical significance.(2) C1 [Huang, Qingying; Luo, Xiaonan] Sun Yat Sen Univ, Natl Engn Res Ctr Digital Life, State Prov Joint Lab Digital Home Interact Applic, Sch Informat Sci & Technol, Guangzhou 510006, Guangdong, Peoples R China. RP Xu, SH (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM xus1@ornl.gov FU U.S. Department of Energy [AC05-00OR22725]; Natural Science Foundation of China (NSFC) [60903132]; National Key Basic Research and Development Program of China (973) [2013CB329505]; NSFC-Guangdong Joint Fund [U0935004, U1135003]; National Key Technology RD Program [2011BAH27B01, 2011BHA16B08]; Industry-academy-research Project of Guangdong [2011A091000032]; Special Foundation of Industry Development for Biology, Internet, New Energy and New Material of Shenzhen [JC201104220324A] FX Xu performed this research as a Eugene P. Wigner Fellow and staff member at the Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract DE-AC05-00OR22725. This work was supported by the Natural Science Foundation of China (NSFC) grant No.60903132 and the National Key Basic Research and Development Program of China (973) (No.2013CB329505), NSFC-Guangdong Joint Fund (U0935004, U1135003), the National Key Technology R&D Program (No. 2011BAH27B01, 2011BHA16B08), the Industry-academy-research Project of Guangdong (No. 2011A091000032), the Special Foundation of Industry Development for Biology, Internet, New Energy and New Material of Shenzhen (No. JC201104220324A). NR 35 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9448-1 J9 PROC SPIE PY 2013 VL 8674 AR 86740K DI 10.1117/12.2008022 PG 11 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BHG83 UT WOS:000325369900017 ER PT S AU Hong, H Chang, YC Bowie, JU AF Hong, Heedeok Chang, Yu-Chu Bowie, James U. BE Ghirlanda, G Senes, A TI Measuring Transmembrane Helix Interaction Strengths in Lipid Bilayers Using Steric Trapping SO MEMBRANE PROTEINS: FOLDING, ASSOCIATION, AND DESIGN SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Membrane protein folding; Steric trap; Glycophorin A dimer; Transmembrane helix interaction; Monovalent streptavidin; Biotinylation ID PROTEIN-PROTEIN INTERACTIONS; MEMBRANE-PROTEINS; ALPHA-HELICES; FREE-ENERGY; DIMERIZATION; ENERGETICS; STABILITY; STREPTAVIDIN; SEQUENCE; SITE AB We have developed a method to measure strong transmembrane (TM) helix interaction affinities in lipid bilayers that are difficult to measure by traditional dilution methods. The method, called steric trapping, couples dissociation of biotinylated TM helices to a competitive binding by monovalent streptavidin (mSA), so that dissociation is driven by the affinity of mSA for biotin and mSA concentration. By adjusting the binding affinity of mSA through mutation, the method can obtain dissociation constants of TM helix dimers (K-d,K-dimer) over a range of six orders of magnitudes. The K-d,K-dimer limit of measurable target interaction is extended 3-4 orders of magnitude lower than possible by dilution methods. Thus, steric trapping opens up new opportunities to study the folding and assembly of alpha-helical membrane proteins in lipid bilayer environments. Here we provide detailed methods for applying steric trapping to a TM helix dimer. C1 [Hong, Heedeok] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. [Hong, Heedeok] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. [Chang, Yu-Chu; Bowie, James U.] Univ Calif Los Angeles, Inst Mol Biol, Dept Chem & Biochem, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90024 USA. RP Hong, H (reprint author), Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. FU NIGMS NIH HHS [R01GM063919, R01GM081783, R01 GM063919, R01 GM081783] NR 26 TC 7 Z9 7 U1 0 U2 4 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-62703-583-5; 978-1-62703-582-8 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2013 VL 1063 BP 37 EP 56 DI 10.1007/978-1-62703-583-5_3 D2 10.1007/978-1-62703-583-5 PG 20 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BHJ78 UT WOS:000325642900004 PM 23975771 ER PT S AU Alvine, KJ Bernacki, BE Suter, JD Bennett, WD Edwards, DJ Mendoza, A AF Alvine, K. J. Bernacki, B. E. Suter, J. D. Bennett, W. D. Edwards, D. J. Mendoza, A. BE George, T Islam, MS Dutta, AK TI Subwavelength resonant nanostructured films for sensing SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications V CY APR 29-MAY 03, 2013 CL Baltimore, MD SP SPIE DE sensor; nanotechnology; standoff sensing; subwavelength structures ID LIGHT; GAMMA AB We present a novel subwavelength nanostructure architecture that may be utilized for optical standoff sensing applications. The subwavelength structures are fabricated via a combination of nanoimprint lithography and metal sputtering to create metallic nanostructured films encased within a transparent media. The structures are based on the open ring resonator (ORR) architecture which has a characteristic resonance frequency. Any perturbation of the nanostructured films due to chemical or environmental effects can shift the resonant frequency and provide an indication of the external stimulus. This shift in resonance can be interrogated remotely either actively using either laser illumination or passively using hyperspectral or multispectral sensing. These structures may be designed to be either anisotropic or isotropic, which can also provide polarization-sensitive interrogation. Due to the nanometer-scale of the structures, they can be tailored to be optically responsive in the visible or near infrared spectrum with a highly reflective resonant peak that is dependent solely on structural dimensions and material characteristics. We present experimental measurements of the optical response of these structures as a function of wavelength, polarization, and incident angle demonstrating the resonant effect in the near infrared region. Numerical modeling data showing the effect of different fabrication parameters such as structure parameters are also discussed. C1 [Alvine, K. J.; Bernacki, B. E.; Suter, J. D.; Bennett, W. D.; Edwards, D. J.; Mendoza, A.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Alvine, KJ (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM kyle.alvine@pnnl.gov OI Suter, Jonathan/0000-0001-5709-6988 NR 18 TC 1 Z9 1 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9516-7 J9 PROC SPIE PY 2013 VL 8725 AR 87252H DI 10.1117/12.2016547 PG 7 WC Nanoscience & Nanotechnology; Optics; Physics, Applied SC Science & Technology - Other Topics; Optics; Physics GA BHF64 UT WOS:000325263900056 ER PT S AU Farahi, R Zaharov, V Tetard, L Thundat, T Passian, A AF Farahi, R. Zaharov, V. Tetard, L. Thundat, T. Passian, A. BE George, T Islam, MS Dutta, AK TI Data Analysis of Multi-Laser Standoff Spectral identification of chemical and biological compounds SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications V CY APR 29-MAY 03, 2013 CL Baltimore, MD SP SPIE DE Standoff detection; Quantum cascade laser; Photothermal infrared spectroscopy; Data denoising; Correlation analysis; Spectral analysis; Karhunen-Loeve transform ID INDUCED BREAKDOWN SPECTROSCOPY; QUANTUM CASCADE LASER; SURFACES AB With the availability of tunable broadband coherent sources that emit mid-infrared radiation with well-defined beam characteristics, spectroscopies that were traditionally not practical for standoff detection(1) or for development of miniaturized infrared detectors(2,3) have renewed interest. While obtaining compositional information for objects from a distance remains a major challenge in chemical and biological sensing, recently we demonstrated that capitalizing on mid-infrared excitation of target molecules by using quantum cascade lasers and invoking a pump probe scheme can provide spectral fingerprints of substances from a variable standoff distance.(3) However, the standoff data is typically associated with random fluctuations that can corrupt the fine spectral features and useful data. To process the data from standoff experiments toward better recognition we consider and apply two types of denoising techniques, namely spectral analysis and Karhunen-Loeve Transform (KLT). Using these techniques, infrared spectral data have been effectively improved. The result of the analysis illustrates that KLT can be adapted as a powerful data denoising tool for the presented pump-probe infrared standoff spectroscopy. C1 [Farahi, R.; Tetard, L.; Passian, A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Passian, A (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM passianan@ornl.gov NR 27 TC 0 Z9 0 U1 2 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9516-7 J9 PROC SPIE PY 2013 VL 8725 AR 87252A DI 10.1117/12.2018418 PG 13 WC Nanoscience & Nanotechnology; Optics; Physics, Applied SC Science & Technology - Other Topics; Optics; Physics GA BHF64 UT WOS:000325263900051 ER PT S AU Grate, JW Zhang, CY Wilkins, M Warner, MG Anheier, NC Suter, J Kelly, R Oostrom, M AF Grate, Jay W. Zhang, Changyong Wilkins, Michael Warner, Marvin G. Anheier, Norm C. Suter, Jonathan Kelly, Ryan Oostrom, Mart BE George, T Islam, MS Dutta, AK TI Chemical sensing and imaging in microfluidic pore network structures relevant to natural carbon cycling and industrial carbon sequestration SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications V CY APR 29-MAY 03, 2013 CL Baltimore, MD SP SPIE DE oxygen sensing; cellulose; pore network; microfluidic; fluorescence; microscopy; global security; carbon sequestration ID MICROBIAL COMMUNITIES; SPATIAL STRUCTURE; OXYGEN; DISPLACEMENT; WATER; MICROMODEL; CAPILLARY; TOOL AB Energy and climate change represent significant factors in global security. Atmospheric carbon dioxide levels, while global in scope, are influenced by pore-scale phenomena in the subsurface. We are developing tools to visualize and investigate processes in pore network microfluidic structures that serve as representations of normally-opaque porous media. These structures enable, for example, visualization of water displacement from pore spaces by hydrophobic fluids, including carbon dioxide, in studies related to carbon sequestration. In situ fluorescent oxygen sensing methods and fluorescent cellulosic materials are being used to investigate processes related to terrestrial carbon cycling involving cellulolytic respiring microorganisms. C1 [Grate, Jay W.; Zhang, Changyong; Wilkins, Michael; Warner, Marvin G.; Anheier, Norm C.; Suter, Jonathan; Kelly, Ryan; Oostrom, Mart] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Grate, JW (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jwgrate@pnnl.gov RI Kelly, Ryan/B-2999-2008 OI Suter, Jonathan/0000-0001-5709-6988; Kelly, Ryan/0000-0002-3339-4443 NR 22 TC 0 Z9 0 U1 0 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9516-7 J9 PROC SPIE PY 2013 VL 8725 AR 872522 DI 10.1117/12.2018520 PG 8 WC Nanoscience & Nanotechnology; Optics; Physics, Applied SC Science & Technology - Other Topics; Optics; Physics GA BHF64 UT WOS:000325263900045 ER PT S AU Jungwirth, MEL Wilcox, CC Wick, DV Baker, MS Hobart, CG Milinazzo, JJ Robichaud, J Romeo, RC Martin, RN Ballesta, J Lavergn, E Dereniak, EL AF Jungwirth, Matthew E. L. Wilcox, Christopher C. Wick, David V. Baker, Michael S. Hobart, Clinton G. Milinazzo, Jared J. Robichaud, Joseph Romeo, Robert C. Martin, Robert N. Ballesta, Jerome Lavergn, Emeric Dereniak, Eustace L. BE George, T Islam, MS Dutta, AK TI Large-aperture active optical carbon fiber reinforced polymer mirror SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications V CY APR 29-MAY 03, 2013 CL Baltimore, MD SP SPIE DE active mirror; closed-loop; carbon fiber; finite element modeling; deformable mirror AB An active reflective component can change its focal length by physically deforming its reflecting surface. Such elements exist at small apertures, but have yet to be fully realized at larger apertures. This paper presents the design and initial results of a large-aperture active mirror constructed of a composite material called carbon fiber reinforced polymer (CFRP). The active CFRP mirror uses a novel actuation method to change radius of curvature, where actuators press against two annular rings placed on the mirror's back. This method enables the radius of curvature to increase from 2000mm to 2010mm. Closed-loop control maintains good optical performance of 1.05 waves peak-to-valley (with respect to a HeNe laser) when the active CFRP mirror is used in conjunction with a commercial deformable mirror. C1 [Jungwirth, Matthew E. L.; Wick, David V.; Baker, Michael S.; Hobart, Clinton G.; Milinazzo, Jared J.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Jungwirth, MEL (reprint author), Sandia Natl Labs, 1515 Eubank Blvd SE, Albuquerque, NM 87123 USA. NR 18 TC 4 Z9 4 U1 1 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9516-7 J9 PROC SPIE PY 2013 VL 8725 AR 87250W DI 10.1117/12.2020722 PG 11 WC Nanoscience & Nanotechnology; Optics; Physics, Applied SC Science & Technology - Other Topics; Optics; Physics GA BHF64 UT WOS:000325263900023 ER PT S AU Romanosky, RR Maley, SM AF Romanosky, Robert R. Maley, Susan M. BE George, T Islam, MS Dutta, AK TI Harsh environment sensor development for advanced energy systems SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications V CY APR 29-MAY 03, 2013 CL Baltimore, MD SP SPIE DE Harsh environment; sensor; energy; power generation AB Highly efficient, low emission power systems have extreme conditions of high temperature, high pressure, and corrosivity that require monitoring. Sensing in these harsh environments can provide key information that directly impacts process control and system reliability. To achieve the goals and demands of clean energy, the conditions under which fossil fuels are converted into heat and power are harsh compared to traditional combustion/steam cycles. Temperatures can extend as high as 1600 Celsius (degrees C) in certain systems and pressures can reach as high as 5000 pounds per square inch (psi)/340 atmospheres (atm). The lack of suitable measurement technology serves as a driver for the innovations in harsh environment sensor development. Two major considerations in the development of harsh environments sensors are the materials used for sensing and the design of the sensing device. This paper will highlight the U. S. Department of Energy's, Office of Fossil Energy and National Energy Technology Laboratory's Program in advanced sensing concepts that are aimed at addressing the technology needs and drivers through the development of new sensor materials and designs capable of withstanding harsh environment conditions. Recent developments with harsh environment sensors will be highlighted and future directions towards in advanced sensing will be introduced. C1 [Romanosky, Robert R.; Maley, Susan M.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Maley, SM (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM susan.maley@netl.doe.gov NR 7 TC 3 Z9 3 U1 2 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9516-7 J9 PROC SPIE PY 2013 VL 8725 AR 87250H DI 10.1117/12.2015865 PG 8 WC Nanoscience & Nanotechnology; Optics; Physics, Applied SC Science & Technology - Other Topics; Optics; Physics GA BHF64 UT WOS:000325263900014 ER PT J AU Hayashi, T O'Connor, TC Higashiyama, K Nishi, K Fujisawa, K Muramatsu, H Kim, YA Sumpter, BG Meunier, V Terrones, M Endo, M AF Hayashi, Takuya O'Connor, Thomas C. Higashiyama, Katsuhisa Nishi, Kohei Fujisawa, Kazunori Muramatsu, Hiroyuki Kim, Yoong Ahm Sumpter, Bobby G. Meunier, Vincent Terrones, Mauricio Endo, Morinobu TI A reversible strain-induced electrical conductivity in cup-stacked carbon nanotubes SO NANOSCALE LA English DT Article ID GRAPHITE; NANOFIBERS; CIRCUITS; GROWTH AB We have used in situ current-voltage measurements of cup-stacked carbon nanotubes (CSCNTs) to establish reversible strain induced (compressive bending) semiconducting to metallic behavior. The corresponding electrical resistance decreases by two orders of magnitude during the process, and reaches values comparable to those of highly crystalline multi-walled carbon nanotubes (MWCNTs) and graphite. Joule heating experiments on the same CSCNTs showed that the edges of individual cups merge to form "loops" induced by the heating process. The resistance of these looped CSCNTs was close to that of highly deformed CSCNTs (and crystalline MWCNTs), thus suggesting that a similar conduction mechanism took place in both cases. Using a combination of molecular dynamics and first-principles calculations based on density functional theory, we conclude that an edge-to-edge interlayer transport mechanism results in conduction channels at the compressed side of the CSCNTs due to electronic density overlap between individual cups, thus making CSCNTs more conducting. This strain-induced CSCNT semiconductor to metal transition could potentially be applied to enable functional composite materials (e.g. mechanical sensors) with enhanced and tunable conducting properties upon compression. C1 [Hayashi, Takuya; Higashiyama, Katsuhisa; Nishi, Kohei; Fujisawa, Kazunori; Kim, Yoong Ahm] Shinshu Univ, Fac Engn, Nagano 3808553, Japan. [O'Connor, Thomas C.; Meunier, Vincent] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [O'Connor, Thomas C.; Meunier, Vincent] Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA. [Muramatsu, Hiroyuki] Nagaoka Univ Technol, Dept Mat Sci & Technol, Nagaoka, Niigata 94021, Japan. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Terrones, Mauricio; Endo, Morinobu] Shinshu Univ, Res Ctr Exot Nanocarbons JST, Nagano 3808553, Japan. [Terrones, Mauricio] Penn State Univ, Dept Chem, Dept Phys, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Terrones, Mauricio] Penn State Univ, Ctr Dimens & Layered Mat 2, University Pk, PA 16802 USA. RP Hayashi, T (reprint author), Shinshu Univ, Fac Engn, 4-17-1 Wakasato, Nagano 3808553, Japan. RI O'Connor, Thomas/H-1969-2016; Terrones, Mauricio/B-3829-2014; Meunier, Vincent/F-9391-2010; Muramatsu, Hiroyuki/B-8800-2011; Sumpter, Bobby/C-9459-2013 OI O'Connor, Thomas/0000-0002-9393-0295; Meunier, Vincent/0000-0002-7013-179X; Muramatsu, Hiroyuki/0000-0003-0332-6703; Sumpter, Bobby/0000-0001-6341-0355 FU JSPS; JST-Japan; US Army Research Laboratory through the Multiscale Modeling of Electronic Materials Collaborative Research Alliance; Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, U.S. Department of Energy at Oak Ridge National Laboratory (ORNL) FX This work was supported by Grant in Aid from JSPS. MT thanks JST-Japan for funding the Research Center for Exotic Nano Carbons, under the Japanese regional Innovation Strategy Program by the Excellence. VM is supported by the US Army Research Laboratory through the Multiscale Modeling of Electronic Materials Collaborative Research Alliance. B.G.S. was supported by the Center for Nanophase Materials Sciences (CNMS), sponsored at Oak Ridge National Laboratory (ORNL) by the Scientific User Facilities Division, U.S. Department of Energy. Some of the calculations used resources of the Oak Ridge Leadership Computing Facility at the ORNL. NR 24 TC 5 Z9 5 U1 0 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 21 BP 10212 EP 10218 DI 10.1039/c3nr01887c PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 235ZH UT WOS:000325762000018 PM 23892872 ER PT J AU Wang, HY Wang, GM Ling, YC Qian, F Song, Y Lu, XH Chen, SW Tong, YX Li, Y AF Wang, Hanyu Wang, Gongming Ling, Yichuan Qian, Fang Song, Yang Lu, Xihong Chen, Shaowei Tong, Yexiang Li, Yat TI High power density microbial fuel cell with flexible 3D graphene-nickel foam as anode SO NANOSCALE LA English DT Article ID EXTRACELLULAR ELECTRON-TRANSFER; PALLADIUM NANOPARTICLES; ELECTRICITY PRODUCTION; RECENT PROGRESS; PERFORMANCE; GENERATION; CONFIGURATION; COMPOSITE; GROWTH AB The structure and electrical conductivity of anode play a significant role in the power generation of microbial fuel cells (MFCs). In this study, we developed a three-dimensional (3D) reduced graphene oxide-nickel (denoted as rGO-Ni) foam as an anode for MFC through controlled deposition of rGO sheets onto the nickel foam substrate. The loading amount of rGO sheets and electrode surface area can be controlled by the number of rGO loading cycles. 3D rGO-Ni foam anode provides not only a large accessible surface area for microbial colonization and electron mediators, but also a uniform macro-porous scaffold for effective mass diffusion of the culture medium. Significantly, at a steady state of the power generation, the MFC device with flexible rGO-Ni electrodes produced an optimal volumetric power density of 661 W m(-3) calculated based on the volume of anode material, or 27 W m(-3) based on the volume of the anode chamber. These values are substantially higher than that of plain nickel foam, and other conventional carbon based electrodes (e. g., carbon cloth, carbon felt, and carbon paper) measured in the same conditions. To our knowledge, this is the highest volumetric power density reported for mL-scale MFC device with a pure strain of Shewanella oneidensis MR-1. We also demonstrated that the MFC device can be operated effectively in a batch-mode at least for a week. These new 3D rGO-Ni electrodes show great promise for improving the power generation of MFC devices. C1 [Wang, Hanyu; Wang, Gongming; Ling, Yichuan; Song, Yang; Lu, Xihong; Chen, Shaowei; Li, Yat] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. [Qian, Fang] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Lu, Xihong; Tong, Yexiang] Sun Yat Sen Univ, Sch Chem & Chem Engn, KLGHEI Environm & Energy Chem, MOE Key Lab Bioinorgan & Synthet Chem, Guangzhou 510275, Guangdong, Peoples R China. RP Li, Y (reprint author), Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. EM yli@chemistry.ucsc.edu RI Wang, Gongming/C-4555-2012; Lu, Xihong/L-5171-2015; Song, Yang/E-3811-2013; Ling, Yichuan/I-9567-2016; OI Lu, Xihong/0000-0002-6764-0024; Song, Yang/0000-0002-0760-8591; Li, Yat/0000-0002-8058-2084 FU US. NSF [CBET 1034222]; LDRD Project under the US. Department of Energy by Lawrence Livermore National Laboratory [11-LW-054, DEAC52-07NA27344]; Natural Science Foundation of China [90923008, 21273290]; University of California, Santa Cruz; Academic New Artist Ministry of Education Doctoral Post Graduate (China); China Scholarship Council FX Y.L. acknowledges financial support from US. NSF (CBET 1034222). F.Q. acknowledges support from LDRD Project 11-LW-054, performed under the auspices of the US. Department of Energy by Lawrence Livermore National Laboratory under Contract DEAC52-07NA27344. S.C. thanks the National Science Foundation (CHE - 1012256 and CBET - 1258839). Y.T.X. acknowledges financial support for this work from the Natural Science Foundation of China (90923008 and 21273290). G.M.W. thanks for financial support from the Chancellor's Dissertation Year Fellowship at University of California, Santa Cruz. X.H.L. thanks the Academic New Artist Ministry of Education Doctoral Post Graduate (China) and the China Scholarship Council for financial support. NR 50 TC 73 Z9 76 U1 33 U2 280 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 21 BP 10283 EP 10290 DI 10.1039/c3nr03487a PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 235ZH UT WOS:000325762000027 PM 24057049 ER PT J AU Wang, W Nallathamby, PD Foster, CM Morrell-Falvey, JL Mortensen, NP Doktycz, MJ Gu, BH Retterer, ST AF Wang, Wei Nallathamby, Prakash D. Foster, Carmen M. Morrell-Falvey, Jennifer L. Mortensen, Ninell P. Doktycz, Mitchel J. Gu, Baohua Retterer, Scott T. TI Volume labeling with Alexa Fluor dyes and surface functionalization of highly sensitive fluorescent silica (SiO2) nanoparticles SO NANOSCALE LA English DT Article ID REVERSE MICROEMULSION; MONODISPERSE; ENCAPSULATION; TRACKING; SPHERES; BRIGHT; SIZE; DNA AB A new synthesis approach is described that allows the direct incorporation of fluorescent labels into the volume or body of SiO2 nanoparticles. In this process, fluorescent Alexa Fluor dyes with different emission wavelengths were covalently incorporated into the SiO2 nanoparticles during their formation by the hydrolysis of tetraethoxysilane. The dye molecules were homogeneously distributed throughout the SiO2 nanoparticles. The quantum yields of the Alexa Fluor volume-labeled SiO2 nanoparticles were much higher than nanoparticles labeled using conventional organic dyes. The size of the resulting nanoparticles was controlled using microemulsion reaction media with sizes in the range of 20-100 nm and a polydispersity of <15%. In comparison with conventional surface tagged particles created by post-synthesis modification, this process maintains the physical and surface chemical properties that have the most pronounced effect on colloidal stability and interactions with their surroundings. These volume-labeled nanoparticles have proven to be extremely robust, showing excellent signal strength, negligible photobleaching, and minimal loss of functional organic components. The native or "free" surface of the volume-labeled particles can be altered to achieve a specific surface functionality without altering fluorescence. Their utility was demonstrated for visualizing the association of surface-modified fluorescent particles with cultured macrophages. Differences in particle agglomeration and cell association were clearly associated with differences in observed nanoparticle toxicity. The capacity to maintain particle fluorescence while making significant changes to surface chemistry makes these particles extremely versatile and useful for studies of particle agglomeration, uptake, and transport in environmental and biological systems. C1 [Wang, Wei; Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Nallathamby, Prakash D.; Foster, Carmen M.; Morrell-Falvey, Jennifer L.; Mortensen, Ninell P.; Doktycz, Mitchel J.; Retterer, Scott T.] Biosci Div, Oak Ridge, TN 37831 USA. [Mortensen, Ninell P.; Doktycz, Mitchel J.; Retterer, Scott T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Wang, Wei; Nallathamby, Prakash D.; Mortensen, Ninell P.; Doktycz, Mitchel J.; Gu, Baohua; Retterer, Scott T.] Battelle Ctr Fundamental & Appl Syst Toxicol, B FAST, Columbus, OH 43201 USA. [Nallathamby, Prakash D.] Battelle Mem Inst, Columbus, OH 43201 USA. RP Wang, W (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM wangw@ornl.gov RI Wang, Wei/B-5924-2012; Morrell-Falvey, Jennifer/A-6615-2011; Retterer, Scott/A-5256-2011; Gu, Baohua/B-9511-2012; Doktycz, Mitchel/A-7499-2011 OI Morrell-Falvey, Jennifer/0000-0002-9362-7528; Retterer, Scott/0000-0001-8534-1979; Gu, Baohua/0000-0002-7299-2956; Doktycz, Mitchel/0000-0003-4856-8343 FU Battelle Center for Fundamental and Applied Systems Toxicology (B-FAST); Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE); US DOE [DE-AC05-00OR22725] FX This work was funded by the Battelle Center for Fundamental and Applied Systems Toxicology (B-FAST). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory (ORNL) by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). ORNL is managed by UT-Battelle LLC for US DOE under contract DE-AC05-00OR22725. NR 33 TC 6 Z9 7 U1 5 U2 53 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 21 BP 10369 EP 10375 DI 10.1039/c3nr02639f PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 235ZH UT WOS:000325762000036 PM 24056530 ER PT S AU Mane, AU Elam, JW AF Mane, Anil U. Elam, Jeffrey W. BE Mackay, TG Lakhtakia, A Jen, YJ Suzuki, M TI Nanostructured composite thin films with tailored resistivity by atomic layer deposition SO NANOSTRUCTURED THIN FILMS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Nanostructured Thin Films VI CY AUG 28-29, 2013 CL San Diego, CA SP SPIE, Foresight Technol Corp DE ALD; resistive layer; QCM; molybdenum; aluminum oxide; nanostructures ID ELECTROCHROMIC PROPERTIES; MEMORY AB We have developed a new type of thin film composite material comprised of Mo:Al2O3 consisting of conducting metal nanoclusters embedded in an insulating Al2O3 matrix. These nanocomposite thin films were prepared by atomic layer deposition (ALD). Quartz crystal microbalance (QCM) experiments performed with various Mo cycle percentages revealed that the Mo ALD inhibits the Al2O3 ALD and vice versa. Despite this inhibition, the relationship between Mo content in the films and cycle percentage was close to expectations. Depth profiling X-ray photoelectron spectroscopy (XPS) showed that the Mo:Al2O3 films were uniform in composition and contained Al, O, and metallic Mo as expected, but also included significant F and C. Cross sectional TEM revealed the composite film structure to be metallic nanoparticles (2-3nm) embedded uniformly in an amorphous Al2O3 insulating matrix. The resistivity of these composite films could be tailored in the range of 10(4)-10(12) Ohm-cm by adjusting the Mo ALD cycle percentage. These nanocomposite films have been used as resistive coatings in microchannel plate (MCP) fabrication and as charge-drain coatings in micro-electron-optical devices. Here we report the ALD growth characterization, and application of these of Mo:Al2O3, films. C1 [Mane, Anil U.; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Mane, AU (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM amane@anl.gov NR 35 TC 4 Z9 4 U1 0 U2 15 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9668-3 J9 PROC SPIE PY 2013 VL 8818 AR UNSP 88180M DI 10.1117/12.2024482 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Coatings & Films; Optics SC Science & Technology - Other Topics; Materials Science; Optics GA BHI24 UT WOS:000325486300012 ER PT S AU Clayton, D Bakhtiari, S Smith, C Simmons, K Ramuhalli, P Coble, J Brenchley, D Meyer, R AF Clayton, Dwight Bakhtiari, Sasan Smith, Cyrus Simmons, Kevin Ramuhalli, Pradeep Coble, Jamie Brenchley, David Meyer, Ryan BE Yu, TY Gyekenyesi, AL Shull, PJ Diaz, AA Wu, HF TI Research and Development Roadmaps for Nondestructive Evaluation of Cables, Concrete, Reactor Pressure Vessels, and Piping Fatigue SO NONDESTRUCTIVE CHARACTERIZATION FOR COMPOSITE MATERIALS, AEROSPACE ENGINEERING, CIVIL INFRASTRUCTURE, AND HOMELAND SECURITY 2013 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Nondestructive Characterization for Composite Materials, Aerospace Engineering, Civil Infrastructure, and Homeland Security CY MAR 11-14, 2013 CL San Diego, CA SP SPIE, Amer Soc Mech Engineers DE Materials Aging; Nondestructive Evaluation; Nuclear Power Plants AB The purpose of the Materials Aging and Degradation (MAaD) Pathway is to develop the scientific basis for understanding and predicting long-term environmental degradation behavior of materials in nuclear power plants and to provide data and methods to assess the performance of systems, structures, and components (SSCs) essential to safe and sustained nuclear power plant operations. The understanding of aging-related phenomena and their impacts on SSCs is expected to be a significant issue for any nuclear power plant planning for long-term operations (i.e., service beyond the initial license renewal period). Management of those phenomena and their impacts during long-term operations can be better enabled by improved methods and techniques for detection, monitoring, and prediction of SSC degradation. Elements of research necessary to produce the improved methods and techniques include the following: Integration of materials science understanding of degradation accumulation, with nondestructive measurement science for early detection of materials degradation. Development of robust sensors and instrumentation, as well as deployment tools, to enable extensive condition assessment of passive nuclear power plant components. Analysis systems for condition assessment and remaining life estimation from measurement data. It is likely that pursuing research for each of these elements in parallel will be necessary to address anticipated near-term deadlines for decision-making by plant owners and regulators (i.e., the first of the "second-round" license renewal announcements will likely start to be made in the 2015 to 2020 timeframe by the nuclear power plant owners). To address these research needs, the MAaD Pathway supported a series of workshops in the summer of 2012 for the purpose of developing R&D roadmaps for enhancing the use of Nondestructive Evaluation (NDE) technologies and methodologies for detecting aging and degradation of materials and predicting the remaining useful life. The workshops were conducted to assess requirements and technical gaps related to applications of NDE for cables, concrete, reactor pressure vessels (RPV), and piping fatigue for extended reactor life. An overview of the outcomes of the workshops is presented here. Details of the workshop outcomes and proposed R&D also are available in the R& D roadmap documents cited in the bibliography and are available on the LWRS Program website C1 [Clayton, Dwight; Smith, Cyrus] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Clayton, D (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. OI Ramuhalli, Pradeep/0000-0001-6372-1743 NR 7 TC 0 Z9 0 U1 0 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9477-1 J9 PROC SPIE PY 2013 VL 8694 AR 869426 DI 10.1117/12.2010061 PG 8 WC Engineering, Aerospace; Materials Science, Characterization & Testing; Optics SC Engineering; Materials Science; Optics GA BHG84 UT WOS:000325371700056 ER PT J AU Kim, N Rousseau, A AF Kim, N. Rousseau, A. TI Assessment by Simulation of Benefits of New HEY Powertrain Configurations SO OIL & GAS SCIENCE AND TECHNOLOGY-REVUE D IFP ENERGIES NOUVELLES LA English DT Article AB During the past couple of years, numerous powertrain configurations for Hybrid Electric Vehicles (HEV) have been introduced into the marketplace. The current dominant architecture is the power-split configuration with the input split (single-mode) from Toyota and Ford. General Motors (GM) recently introduced a two-mode power-split configuration for applications in sport utility vehicles. Also, the first commercially available Plug-In Hybrid Electric Vehicle (PHEV) - the GM Volt - was introduced into the market in 2010. The GM Volt uses a series-split powertrain architecture, which provides benefits over the series architecture, which typically has been considered for Electric-Range Extended Vehicles (E-REV). This paper assesses the benefits of these different powertrain architectures (single-mode versus multi-mode for HEV) (series versus GM Voltec for PHEV) by comparing component sizes, system efficiency and fuel consumption over several drive cycles. On the basis of dynamic models, a detailed component control algorithm was developed for each configuration. The powertrain components were sized to meet all-electric-range, performance and grade-capacity requirements. This paper presents and compares the impact of these different powertrain configurations on component size and fuel consumption. C1 [Kim, N.; Rousseau, A.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Rousseau, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM nkim@anl.gov; arousseau@anl.gov FU DOE's Vehicle Technology Office; Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX This work was supported by DOE's Vehicle Technology Office under the direction of David Anderson and Lee Slezak. 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 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 15 TC 0 Z9 0 U1 2 U2 13 PU EDITIONS TECHNIP PI PARIS 15 PA 27 RUE GINOUX, 75737 PARIS 15, FRANCE SN 1294-4475 EI 1953-8189 J9 OIL GAS SCI TECHNOL JI Oil Gas Sci. Technol. PD JAN-FEB PY 2013 VL 68 IS 1 BP 79 EP 93 DI 10.2516/ogst/2013107 PG 15 WC Energy & Fuels; Engineering, Chemical; Engineering, Petroleum SC Energy & Fuels; Engineering GA 233VU UT WOS:000325598400008 ER PT S AU Shu, D Harder, R Almer, J Kujala, N Kearney, S Anton, J Liu, W Lai, B Maser, J Finney, L Shi, B Qian, J Marathe, S Macrander, A Tischler, J Vogt, S Assoufid, L AF Shu, D. Harder, R. Almer, J. Kujala, N. Kearney, S. Anton, J. Liu, W. Lai, B. Maser, J. Finney, L. Shi, B. Qian, J. Marathe, S. Macrander, A. Tischler, J. Vogt, S. Assoufid, L. BE Hatheway, AE TI Optomechanical Design of a Modular K-B Mirror Mount System for X-ray Microfocusing at the Advanced Photon Source SO OPTOMECHANICAL ENGINEERING 2013 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Optomechanical Engineering CY AUG 26-29, 2013 CL San Diego, CA SP SPIE DE optomechanics; mirror mount; precision motion control AB Kirkpatrick-Baez (K-B) mirrors [1] are sophisticated x-ray micro-and nano-focusing tools for synchrotron radiation applications. A prototype of a modular x-ray K-B mirror mount system has been designed and tested at an optics testing beamline, 1-BM at the Advanced Photon Source (APS), Argonne National Laboratory (ANL). This compact, cost-effective modular mirror mount system is designed to meet challenging mechanical and optical specifications for producing high positioning resolution and stability for various scientific applications with focused hard x-ray beams down to the 100-nanometer scale. The optomechanical design of the modular x-ray K-B mirror mount system as well as the preliminary test results of its precision positioning performance are presented in this paper. C1 [Shu, D.; Harder, R.; Almer, J.; Kujala, N.; Kearney, S.; Anton, J.; Liu, W.; Lai, B.; Maser, J.; Finney, L.; Shi, B.; Qian, J.; Marathe, S.; Macrander, A.; Tischler, J.; Vogt, S.; Assoufid, L.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Shu, D (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. NR 5 TC 1 Z9 1 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9686-7 J9 PROC SPIE PY 2013 VL 8836 AR UNSP 88360O DI 10.1117/12.2023653 PG 8 WC Engineering, Mechanical; Optics; Physics, Applied SC Engineering; Optics; Physics GA BHI27 UT WOS:000325488100020 ER PT S AU Farahani, SKV McConville, CF Veal, TD Schleife, A AF Farahani, S. K. Vasheghani McConville, C. F. Veal, T. D. Schleife, A. BE Teherani, FH Look, DC Rogers, DJ TI Impact of degenerate n-doping on the optical absorption edge in transparent conducting cadmium oxide SO OXIDE-BASED MATERIALS AND DEVICES IV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Oxide-Based Materials and Devices IV CY FEB 03-06, 2013 CL San Francisco, CA SP SPIE DE cadmium oxide; parameter-free calculations; electronic structure; effective mass; Burstein-Moss shift; band-gap renormalization; optical absorption ID AB-INITIO; CDO; BAND AB In order to facilitate the development of next-generation display devices or modern solar cells, material performance is critically important. A combination of high transparency in the optical spectral range and high electrical conductivity under ambient conditions is attractive, if not crucial, for many applications. While the doping-induced presence of free electrons in the conduction bands of CdO can increase the conductivity up to values desired for technological applications, it is, however, expected to impact the optical properties at the same time. More specifically, variations of the band gap, effective electron mass, and optical-absorption onset have been reported. In this work recent results from modern theoretical-spectroscopy techniques are compared to experimental values for the optical band gap in order to discuss the different effects that are relevant for an accurate understanding of the absorption edge in the presence of free electrons with different concentrations. C1 [Farahani, S. K. Vasheghani; McConville, C. F.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Veal, T. D.] Univ Liverpool, Stephenson Inst Renewable Energy, Sch Phys Sci, Dept Phys, Liverpool L69 4ZF, Merseyside, England. [Schleife, A.] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. RP Farahani, SKV (reprint author), Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. EM sepehr.vasheghani-farahani@warwick.ac.uk; C.F.McConville@warwick.ac.uk; t.veal@liverpool.ac.uk; a.schleife@llnl.gov FU U.S. Department of Energy at Lawrence Livermore National Laboratory [DEAC52-07A27344]; European Research and Development Fund through the Advantage West Midlands Science City initiative; The Engineering and Physical Sciences Research Council, UK [EP/G004447/2] FX We thank the organizers of conference 8626 Oxide-based Materials and Devices IV as part of SPIE PhotonicsWest 2013 for the invitation to present the research discussed in this manuscript. V. Munoz-Sanjose and J. Zuniga-Perez are thanked for providing the CdO samples. James Mudd is acknowledged for useful discussions. Part of this work was performed under the auspices of the U.S. Department of Energy at Lawrence Livermore National Laboratory under Contract DEAC52-07A27344. The European Research and Development Fund through the Advantage West Midlands Science City initiative are acknowledged for partial funding of the experimental facilities used in this research. The Engineering and Physical Sciences Research Council, UK, is acknowledged for financial support under grant no. EP/G004447/2. NR 40 TC 1 Z9 1 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9395-8 J9 PROC SPIE PY 2013 VL 8626 AR 862604 DI 10.1117/12.2004359 PG 7 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA BHG44 UT WOS:000325342500004 ER PT S AU Hanson, AL Slatkin, DN Laissue, JA AF Hanson, A. L. Slatkin, D. N. Laissue, J. A. BE Kollias, N Choi, B Zeng, H Kang, HW Knudsen, BE Wong, BJF Ilgner, JF Suter, MJ Lam, S Brenner, M Gregory, KW Tearney, GJ Marcu, L Hirschberg, H Madsen, SJ MahadevanJansen, A Jansen, ED Mandelis, A TI Unidirectional X-ray microbeam radiosurgery of infantile neuraxial malignancies: estimations of tolerable valley doses SO PHOTONIC THERAPEUTICS AND DIAGNOSTICS IX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Photonic Therapeutics and Diagnostics IX CY FEB 02-07, 2013 CL San Francisco, CA SP SPIE DE X-Ray microbeam; microbeam radiosurgery; MBRS; microbeam radiation; MRT; pediatrics; neuro-oncology; radiobiology; radiation dose; radiation transport ID RADIATION-THERAPY; BRAIN-TUMORS; SYNCHROTRON-WIGGLER; MICROPLANAR BEAM; PROSPECTS; CHILDREN; COLLIMATOR; CEREBELLUM; MULTISLIT AB Hindbrains of sedated, prone, suckling rats were irradiated 11-13 days postpartum horizontally from the left with an array of upright wiggler-generated synchrotron X-ray microbeams spaced either 105 or 210 mu m apart. The microbeams were in an array of 48 (for the 205 mu m interval) or of 96 (for the 105 mu m interval), with microbeam widths ranging from 19 to 39 mu m, the array having an approximately 1-cm-square cross section. The microbeams imparted doses of either approximate to 50 or approximate to 150 Gy to the inner skin (computed here as the average dose 0.5-1.5 mm deep to the surface of our phantom) at their entrance to the head, where their median energy was approximate to 120 keV. The array traversed the postero-superior quadrant of the phantom, which represented the occiput of the head, so that about one in five photons in the array bypassed the head altogether. The resultant radiation doses to the head were simulated by computing the tracks of thirty billion X-ray photons incident on the multislit collimator along with all >= 1 keV secondary electrons from interactions in water of the photons entering the left circular wall of the 1.00 cm-radius, 1.55 cm-wide (i.e., "15.5 mm-long") cylindrical head phantom. The computations were performed using the Los Alamos National Laboratory Monte Carlo radiation transport computer program MCNPX, yielding ionization energies imparted to approximately twenty-four thousand 1.00 mm-deep, 10 mu m-wide, up to 3.33 mm-high voxels distributed throughout one quadrant of the phantom, each representing up to 33.3 mu g water. Computed nadir doses between microbeams were defined as the average of the three lowest doses between horizontally adjacent peak doses. We notice that nadir interbeam doses under 5 Gy were associated with neurologically minor and/or inconsequential sequelae fifteen months after irradiation and thus postulate that unidirectional microbeam radiosurgery using hindbrain nadir doses under 5 Gy may safely ameliorate the symptoms of some presently intractable human infantile neuraxial malignancies. C1 [Hanson, A. L.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Hanson, AL (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 26 TC 0 Z9 0 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9334-7 J9 PROC SPIE PY 2013 VL 8565 AR 85655G DI 10.1117/12.2004194 PG 16 WC Engineering, Biomedical; Optics SC Engineering; Optics GA BHA29 UT WOS:000324807200078 ER PT J AU Gilbert, B Katz, JE Huse, N Zhang, XY Frandsen, C Falcone, RW Waychunas, GA AF Gilbert, Benjamin Katz, Jordan E. Huse, Nils Zhang, Xiaoyi Frandsen, Cathrine Falcone, Roger W. Waychunas, Glenn A. TI Ultrafast electron and energy transfer in dye-sensitized iron oxide and oxyhydroxide nanoparticles SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID HEMATITE ALPHA-FE2O3; THIN-FILMS; DYNAMICS; TIO2; DISSOLUTION; CONDUCTION; RECOMBINATION; ENVIRONMENTS; SPECTROSCOPY; REACTIVITY AB An emerging area in chemical science is the study of solid-phase redox reactions using ultrafast timeresolved spectroscopy. We have used molecules of the photoactive dye 2',7'-dichlorofluorescein (DCF) anchored to the surface of iron(III) oxide nanoparticles to create iron(II) surface atoms via photo-initiated interfacial electron transfer. This approach enables time-resolved study of the fate and mobility of electrons within the solid phase. However, complete analysis of the ultrafast processes following dye photoexcitation of the sensitized iron(III) oxide nanoparticles has not been reported. We addressed this topic by performing femtosecond transient absorption (TA) measurements of aqueous suspensions of uncoated and DCF-sensitized iron oxide and oxyhydroxide nanoparticles, and an aqueous iron(III)-dye complex. Following light absorption, excited state relaxation times of the dye of 115-310 fs were found for all samples. Comparison between TA dynamics on uncoated and dye-sensitized hematite nanoparticles revealed the dye de-excitation pathway to consist of a competition between electron and energy transfer to the nanoparticles. We analyzed the TA data for hematite nanoparticles using a fourstate model of the dye-sensitized system, finding electron and energy transfer to occur on the same ultrafast timescale. The interfacial electron transfer rates for iron oxides are very close to those previously reported for DCF-sensitized titanium dioxide (for which dye-oxide energy transfer is energetically forbidden) even though the acceptor states are different. Comparison of the alignment of the excited states of the dye and the unoccupied states of these oxides showed that the dye injects into acceptor states of different symmetry (Ti t(2g) vs. Fe e(g)). C1 [Gilbert, Benjamin; Waychunas, Glenn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Katz, Jordan E.] Denison Univ, Dept Chem & Biochem, Granville, OH 43023 USA. [Huse, Nils] Univ Hamburg, Max Planck Res Dept Struct Dynam, D-22761 Hamburg, Germany. [Zhang, Xiaoyi] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Frandsen, Cathrine] Tech Univ Denmark, Dept Phys, DK-2800 Kongens Lyngby, Denmark. [Falcone, Roger W.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Gilbert, B (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM bgilbert@lbl.gov; katzj@denison.edu; nils.huse@mpsd.cfel.de; xyzhang@aps.anl.gov; fraca@fysik.dtu.dk; rwf@berkeley.edu RI Gilbert, Benjamin/E-3182-2010; Frandsen, Cathrine/A-5729-2011; Katz, Jordan/J-5599-2016; Huse, Nils/A-5712-2017 OI Frandsen, Cathrine/0000-0001-5006-924X; Katz, Jordan/0000-0002-6242-2124; Huse, Nils/0000-0002-3281-7600 FU U.S. Department of Energy Office of Science, and Office of Basic Energy Sciences (DOE-BES [DE-AC02-05CH11231]; Danish Council for Independent Research; University of Hamburg; DOE-BES [DE-AC02-05CH11231, DE-AC02-06CH11357]; Max Plank Society FX Argonne Center for Nanoscale Materials (CNM) and we thank Drs Gary Wiederrecht and David Gosztola for their support. Soft X-ray absorption and emission studies were performed at beamline 7.0.1 at the Advanced Light Source (ALS) and we thank Drs Per-Anders Glans and Jinghua Guo. This work was supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences (DOE-BES), under Contract No. DE-AC02-05CH11231. C.F. acknowledges support from the Danish Council for Independent Research. N.H. acknowledges funding from the University of Hamburg and the Max Plank Society. Use of the CNM is supported by DOE-BES under Contract No. DE-AC02-06CH11357. Use of the ALS is supported by DOE-BES under Contract No. DE-AC02-05CH11231. NR 43 TC 7 Z9 7 U1 3 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 40 BP 17303 EP 17313 DI 10.1039/c3cp53368a PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 231EX UT WOS:000325398500036 PM 24018485 ER PT J AU Friebel, D Bajdich, M Yeo, BS Louie, MW Miller, DJ Casalongue, HS Mbuga, F Weng, TC Nordlund, D Sokaras, D Alonso-Mori, R Bell, AT Nilsson, A AF Friebel, Daniel Bajdich, Michal Yeo, Boon Siang Louie, Mary W. Miller, Daniel J. Casalongue, Hernan Sanchez Mbuga, Felix Weng, Tsu-Chien Nordlund, Dennis Sokaras, Dimosthenis Alonso-Mori, Roberto Bell, Alexis T. Nilsson, Anders TI On the chemical state of Co oxide electrocatalysts during alkaline water splitting SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; OXYGEN EVOLUTION ELECTROCATALYSIS; COBALT OXIDE; CATALYST; PSEUDOPOTENTIALS; ELECTRODES; REDUCTION; COMPLEXES; HYDROXIDE; PHOSPHATE AB Resonant inelastic X-ray scattering and high-resolution X-ray absorption spectroscopy were used to identify the chemical state of a Co electrocatalyst in situ during the oxygen evolution reaction. After anodic electrodeposition onto Au(111) from a Co2+-containing electrolyte, the chemical environment of Co can be identified to be almost identical to CoOOH. With increasing potentials, a subtle increase of the Co oxidation state is observed, indicating a non-stoichiometric composition of the working OER catalyst containing a small fraction of Co4+ sites. In order to confirm this interpretation, we used density functional theory with a Hubbard-U correction approach to compute X-ray absorption spectra of model compounds, which agree well with the experimental spectra. In situ monitoring of catalyst local structure and bonding is essential in the development of structure-activity relationships that can guide the discovery of efficient and earth abundant water splitting catalysts. C1 [Friebel, Daniel; Bajdich, Michal; Louie, Mary W.; Casalongue, Hernan Sanchez; Bell, Alexis T.; Nilsson, Anders] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Friebel, Daniel; Miller, Daniel J.; Casalongue, Hernan Sanchez; Mbuga, Felix; Nilsson, Anders] SLAC Natl Accelerator Lab, SUNCAT Ctr Interface Sci & Catalysis, Menlo Pk, CA 94025 USA. [Bajdich, Michal; Yeo, Boon Siang; Louie, Mary W.; Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Weng, Tsu-Chien; Nordlund, Dennis; Sokaras, Dimosthenis] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Alonso-Mori, Roberto] SLAC Natl Accelerator Lab, Linac Coherent Lightsource, Menlo Pk, CA 94025 USA. RP Friebel, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. EM dfriebel@slac.stanford.edu RI Yeo, Boon Siang/C-6487-2014; Nilsson, Anders/E-1943-2011; Nordlund, Dennis/A-8902-2008; OI Yeo, Boon Siang/0000-0003-1609-0867; Nilsson, Anders/0000-0003-1968-8696; Nordlund, Dennis/0000-0001-9524-6908; Bell, Alexis/0000-0002-5738-4645 FU Office of Science of the U.S. Department of Energy [DE-SC0004993] FX This material is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award Number DE-SC0004993. This research was partly carried out at the Stanford Synchrotron Radiation Lightsource, a National User Facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. D.F. would like to thank Uwe Bergmann for useful discussions. M.B. would like to thank Amelie Juhin for helpful discussions concerning calculations of the theoretical spectra. NR 46 TC 28 Z9 28 U1 6 U2 138 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 40 BP 17460 EP 17467 DI 10.1039/c3cp52981a PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 231EX UT WOS:000325398500051 PM 24026021 ER PT J AU Liu, GK Rao, LF Tian, GX AF Liu, Guokui Rao, Linfeng Tian, Guoxin TI Theoretical analysis and quantification of the absorption spectra of uranyl complexes with structurally-related tridentate ligands SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID RARE-EARTH IONS; ELECTRONIC-STRUCTURE; ACTINYL IONS; VIBRONIC TRANSITIONS; LUMINESCENCE SPECTRA; CRYSTALS; COORDINATION; CS2UO2CL4; DYNAMICS; STATES AB A semi-empirical model of vibronic coupling was developed in the present work to provide a quantitative analysis of partially resolved vibronic structure in uranyl absorption spectra. The studied uranyl complexes share a similar structure but bear different electric charges in the equatorial ligands. Their optical absorption spectra exhibit the common characteristics of charge transfer vibronic transitions of uranyl complexes but fine structures arising from specific vibrational modes are obscured. Accordingly, in application of the Franck-Condon principle of vibronic coupling, our model takes a mode-degenerate approximation. The absorption spectra of uranyl in various ligand environments were calculated and fitted to the experimental data. The semi-empirical approach enabled quantitative evaluation of the electronic energy levels, vibrational frequencies, and vibronic coupling strength. Moreover, the expansion of the U=O bond in the excited states was calculated from the values of the vibronic coupling parameters determined in simulation of the experimental spectra. The calculated results agree very well with the experimentally observed trends in thermodynamic binding constants and structural parameters. A theoretical interpretation is given to the dependence of the U=O bond expansion on the charges carried by the uranyl ligand complexes. C1 [Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Rao, Linfeng; Tian, Guoxin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Liu, GK (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gkliu@anl.gov FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC02-06CH11357]; Office of Science, Office of Basic Energy Sciences (BES) of the U. S. Department of Energy (DOE) at Lawrence Berkeley National Laboratory (LBNL) [DE-AC02-05CH11231] FX Work performed at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under contract DE-AC02-06CH11357. The work of LR and GT was supported by the Director, Office of Science, Office of Basic Energy Sciences (BES) of the U. S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory (LBNL). NR 32 TC 6 Z9 6 U1 5 U2 24 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 40 BP 17487 EP 17495 DI 10.1039/c3cp52900b PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 231EX UT WOS:000325398500054 PM 24026755 ER PT J AU Carrillo, JMY Kumar, R Goswami, M Sumpter, BG Brown, WM AF Carrillo, Jan-Michael Y. Kumar, Rajeev Goswami, Monojoy Sumpter, Bobby G. Brown, W. Michael TI New insights into the dynamics and morphology of P3HT:PCBM active layers in bulk heterojunctions SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID ORGANIC SOLAR-CELLS; MOLECULAR-DYNAMICS; HARD-SPHERES; CONFORMATIONAL ASYMMETRY; PHOTOVOLTAIC CELLS; NEUTRON-SCATTERING; POLYMER; PHASE; POLY(3-HEXYLTHIOPHENE); SIMULATIONS AB Organic photovoltaics (OPVs) are a topic of extensive research because of their potential application in solar cells. Recent work has led to the development of a coarse-grained model for studying poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C-61-butyric acid methyl ester (PCBM) blends using molecular simulations. Here we provide further validation of the force field and use it to study the thermal annealing process of P3HT: PCBM blends. A key finding of our study is that, in contrast to a previous report, the annealing process does not converge at the short time scales reported. Rather, we find that the self-assembly of the blends is characterized by three rate dependent stages that require much longer simulations to approach convergence. Using state-of-the-art high performance computing, we are able to study annealing at length and time scales commensurate with devices used in experiments. Our simulations show different phase segregated morphologies dependent on the P3HT chain length and PCBM volume fraction in the blend. For short chain lengths, we observed a smectic morphology containing alternate P3HT and PCBM domains. In contrast, a phase segregated morphology containing domains of P3HT and PCBM distributed randomly in space is found for longer chain lengths. Theoretical arguments justifying stabilization of these morphologies due to shape anisotropy of P3HT (rod-like) and PCBM (sphere-like) are presented. Furthermore, results on the structure factor, miscibility of P3HT and PCBM, domain spacing and kinetics of phase segregation in the blends are presented in detail. Qualitative comparison of these results with published small-angle neutron scattering experiments in the literature is presented and an excellent agreement is found. C1 [Carrillo, Jan-Michael Y.; Brown, W. Michael] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. [Kumar, Rajeev; Goswami, Monojoy; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kumar, Rajeev; Goswami, Monojoy; Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Carrillo, JMY (reprint author), Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. EM carrillojy@ornl.gov; kumarr@ornl.gov RI KUMAR, RAJEEV/D-2562-2010; Carrillo, Jan-Michael/K-7170-2013; Sumpter, Bobby/C-9459-2013; Kumar, Rajeev/Q-2255-2015; Goswami, Monojoy/G-7943-2012 OI Carrillo, Jan-Michael/0000-0001-8774-697X; Sumpter, Bobby/0000-0001-6341-0355; Kumar, Rajeev/0000-0001-9494-3488; Goswami, Monojoy/0000-0002-4473-4888 FU Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC05-00OR22725]; Laboratory Directed Research project; Center for Nanophase Materials Sciences; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]; UT- Battelle, LLC. FX We thank A. V. Dobrynin, S. M. Kilbey, T. D. Nguyen and M. Dadmun for useful discussions and C. W. Pao for clarifications on the coarse-grained force field implementation. This research was conducted in part under the auspices of the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. RK, BGS and MG acknowledge partial support provided by a Laboratory Directed Research project and the Center for Nanophase Materials Sciences, sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, U. S. Department of Energy. This research used resources of the Leadership Computing Facility 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 with UT- Battelle, LLC. NR 68 TC 22 Z9 22 U1 2 U2 89 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 41 BP 17873 EP 17882 DI 10.1039/c3cp53271b PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 231FM UT WOS:000325400600018 PM 24056906 ER PT J AU Kershis, MD White, MG AF Kershis, Matthew D. White, Michael G. TI Photooxidation of ethanol and 2-propanol on TiO2(110): evidence for methyl radical ejection SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID FINAL-STATE DISTRIBUTIONS; PHOTOCATALYTIC OXIDATION; ALIPHATIC-ALCOHOLS; RUTILE TIO2(110); HYDROGEN-PRODUCTION; SURFACE-STRUCTURE; SINGLE-CRYSTAL; TIO2; ACETONE; OXYGEN AB The photooxidation of ethanol and 2-propanol was studied under UHV conditions on a single crystal TiO2(110) surface using a combination of temperature programmed desorption (TPD) and pump-probe laser ionization techniques. Previous studies of these reactions have shown that the first step involves photocatalytic dehydrogenation to either an acetaldehyde or acetone intermediate. In this work, we show that when adsorbed alcohols are irradiated with UV light in the presence of molecular oxygen, methyl radicals are ejected from the surface. Furthermore, it is shown that these radicals possess kinetic energy distributions which are remarkably similar to those measured for the photooxidation of acetaldehyde and acetone. This result suggests that methyl radicals are produced during a second photocatalytic step which involves photooxidation of the aldehyde/ketone intermediates. C1 [Kershis, Matthew D.; White, Michael G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [White, Michael G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP White, MG (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM mgwhite@bnl.gov RI Kershis, Matthew/K-4219-2016 OI Kershis, Matthew/0000-0002-8777-7976 FU Chemistry Department at Brookhaven National Laboratory [DE-AC02-98CH10086]; U.S. Department of Energy (Division of Chemical Sciences) FX The experiments were carried out in the Chemistry Department at Brookhaven National Laboratory under Contract No. DE-AC02-98CH10086 with the U.S. Department of Energy (Division of Chemical Sciences). NR 51 TC 4 Z9 4 U1 1 U2 51 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 41 BP 17976 EP 17982 DI 10.1039/c3cp53027b PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 231FM UT WOS:000325400600030 PM 24042847 ER PT J AU Menard, MC Takeuchi, KJ Marschilok, AC Takeuchi, ES AF Menard, Melissa C. Takeuchi, Kenneth J. Marschilok, Amy C. Takeuchi, Esther S. TI Electrochemical discharge of nanocrystalline magnetite: structure analysis using X-ray diffraction and X-ray absorption spectroscopy SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID LITHIUM-ION BATTERIES; CRYSTALLITE SIZE CONTROL; SPINEL ELECTRODES; FE3O4; NANOPARTICLES; INSERTION; STORAGE; ANODE; LI AB Magnetite (Fe3O4) is an abundant, low cost, environmentally benign material with potential application in batteries. Recently, low temperature coprecipitation methods have enabled preparation of a series of nanocrystalline magnetite samples with a range of crystallite sizes. Electrochemical cells based on Li/Fe3O4 show a linear increase in capacity with decreasing crystallite size at voltages >= 1.2 V where a 2x capacity improvement relative to commercial (26.2 nm) magnetite is observed. In this report, a combination of X-ray powder diffraction (XRD) and X-ray absorption spectroscopy ( XAS) is used to measure magnetite structural changes occurring upon electrochemical reduction, with parent Fe3O4 crystallite size as a variable. Notably, XAS provides evidence of metallic iron formation at high levels of electrochemical reduction. C1 [Menard, Melissa C.; Takeuchi, Kenneth J.; Marschilok, Amy C.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA. [Menard, Melissa C.; Marschilok, Amy C.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11790 USA. [Takeuchi, Esther S.] Brookhaven Natl Lab, Global & Reg Solut Directorate, Upton, NY 11973 USA. RP Takeuchi, KJ (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA. EM kenneth.takeuchi.1@stonybrook.edu; amy.marschilok@stonybrook.edu; esther.takeuchi@stonybrook.edu RI Marschilok, Amy/D-1821-2014; Takeuchi, Esther/D-1825-2014 FU National Synchrotron Light Source, Brookhaven National Laboratory; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; New York State Energy Research and Development Authority [18517]; Department of Energy, Office of Basic Energy Sciences [DE-SC0002460] FX Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. M.C. Menard acknowledges the New York State Energy Research and Development Authority (Agreement 18517) for support of her postdoctoral fellowship. E.S. Takeuchi, K.J. Takeuchi, and A.C. Marschilok acknowledge the Department of Energy, Office of Basic Energy Sciences (Grant DE-SC0002460) for support of this project. The authors acknowledge Dr Kaumundi Pandya for helpful discussions related to Beamline X11B at the National Synchrotron Light Source at Brookhaven National Laboratory. NR 39 TC 14 Z9 14 U1 0 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 42 BP 18539 EP 18548 DI 10.1039/c3cp52870g PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 235OH UT WOS:000325728400025 PM 24077019 ER PT J AU Nah, T Kessler, SH Daumit, KE Kroll, JH Leone, SR Wilson, KR AF Nah, Theodora Kessler, Sean H. Daumit, Kelly E. Kroll, Jesse H. Leone, Stephen R. Wilson, Kevin R. TI OH-initiated oxidation of sub-micron unsaturated fatty acid particles SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID RADIATION-INDUCED POLYMERIZATION; VOLATILE ORGANIC-COMPOUNDS; AEROSOL MASS-SPECTROMETER; HETEROGENEOUS OXIDATION; AQUEOUS-SOLUTION; HYDROXYL RADICALS; HIGH-RESOLUTION; UPTAKE KINETICS; RATE COEFFICIENTS; PULSE-RADIOLYSIS AB The heterogeneous reaction of OH radicals with sub-micron unsaturated fatty acid particles in the presence of H2O2 and O-2 is studied to explore how surface OH addition reactions initiate chain reactions that rapidly transform the chemical composition of an organic particle. In the presence of 20.7 ppm [H2O2] in a 10% mixture of O-2 in N-2, the effective uptake coefficients of oleic acid, linoleic acid and linolenic acid are found to be 1.72 +/- 0.08, 3.75 +/- 0.18 and 5.73 +/- 0.14, respectively. These effective uptake coefficients are larger than unity, providing clear evidence for particle-phase secondary chain chemistry. The effective uptake coefficient increases linearly with the number of C=C double bonds in the unsaturated fatty acid molecule. Elemental composition analysis reveals that there is an addition of, on average, 0.57 +/- 0.02, 0.61 +/- 0.01 and 0.73 +/- 0.04 O atoms per reactive loss of oleic acid, linoleic acid and linolenic acid, respectively, which suggests that OH addition to the C=C double bond is not the sole reaction pathway that consumes the molecular species. These results suggest the potential presence of secondary reactions that consume the unsaturated fatty acid molecular species without increasing the particulate oxygen content. As the unsaturated fatty acid particles become more oxygenated, volatilization also becomes significant. The magnitudes of the effective uptake coefficients are found to be dependent on the concentrations of OH, O-2 and H2O2 in the flow reactor. A plausible reaction mechanism is presented to show how surface OH addition reactions initiate chain reactions that rapidly transform an unsaturated organic particle's physicochemical properties. C1 [Nah, Theodora; Leone, Stephen R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Nah, Theodora; Leone, Stephen R.; Wilson, Kevin R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Kessler, Sean H.; Kroll, Jesse H.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA. [Daumit, Kelly E.; Kroll, Jesse H.] MIT, Dept Civil & Environm Engn, Cambridge, MA 02139 USA. [Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Phys, Berkeley, CA 94720 USA. RP Wilson, KR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM krwilson@lbl.gov FU Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231]; Department of Energy, Office of Science Early Career Research Program; National Science Foundation [CHE-1012809, AGS-1056225] FX T. N., S. R. L. and K. R. W. are supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. K. R. W. is additionally supported by the Department of Energy, Office of Science Early Career Research Program. J. H. K., S. H. K. and K. E. D. are supported by the National Science Foundation (Grants No. CHE-1012809 and AGS-1056225). NR 49 TC 8 Z9 8 U1 4 U2 51 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 42 BP 18649 EP 18663 DI 10.1039/c3cp52655k PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 235OH UT WOS:000325728400038 PM 24080859 ER PT S AU Snir, M AF Snir, Marc BE Balaji, P Epema, D Fahringer, T TI Programming Models for High-Performance Computing SO PROCEEDINGS OF THE 2013 13TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID 2013) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid) CY MAY 13-16, 2013 CL Delft Univ Technol, Delft, NETHERLANDS SP IEEE, ACM, IEEE Comp Soc, IEEE Tech Comm Scalable Comp, Netherlands Org Sci Res HO Delft Univ Technol AB The first version of the MPI standard was released in November 1993. At the time, many of the authors of this standard, myself included, viewed MPI as a temporary solution, to be used until it is replaced by a good programming language for distributed memory systems. Almost twenty years later, MPI is the main programming model for High-Performance Computing, and practically all HPC applications use MPI, which is now in its third generation; nobody expects MPI to disappear in the coming decade. On the other hand, attempts to replace MPI with languages, such as High-Performance-Fortran, failed. Current attempts (UPC, Fortran, X10, Chapel, etc.) face major obstacles and seem unlikely to replace MPI. C1 Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Snir, M (reprint author), Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. EM snir@mcs.anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-0-7695-4996-5; 978-1-4673-6465-2 J9 IEEE ACM INT SYMP PY 2013 BP 1 EP 1 DI 10.1109/CCGrid.2013.112 PG 1 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHC86 UT WOS:000325006300001 ER PT S AU Rajendran, A Mhashilkar, P Kim, H Dykstra, D Garzoglio, G Raicu, I AF Rajendran, Anupam Mhashilkar, Parag Kim, Hyunwoo Dykstra, Dave Garzoglio, Gabriele Raicu, Ioan BE Balaji, P Epema, D Fahringer, T TI Optimizing Large Data Transfers over 100Gbps Wide Area Networks SO PROCEEDINGS OF THE 2013 13TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID 2013) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid) CY MAY 13-16, 2013 CL Delft Univ Technol, Delft, NETHERLANDS SP IEEE, ACM, IEEE Comp Soc, IEEE Tech Comm Scalable Comp, Netherlands Org Sci Res HO Delft Univ Technol DE ANI Testbed; Grid Computing; Big Data; Caching; Wide Area Network AB The Advanced Networking Initiative (ANI) project from the Energy Services Network provides a 100 Gbps testbed, which offers the opportunity for evaluating applications and middleware used by scientific experiments. This testbed is a prototype of a 100 Gbps wide-area network backbone, which links several Department of Energy (DOE) national laboratories, universities and other research institutions. These scientific experiments involve movement of large datasets for collaborations among researchers at different sites and thus require advanced infrastructure for supporting large and fast data transfers. A 100 Gbps network testbed is a key component of the ANI project and is used for DOE's science research programs. This work presents results towards obtaining maximum throughput in large data transfers by optimizing and fine-tuning scientific applications and middleware to use this advanced infrastructure efficiently. A detailed performance evaluation is discussed measuring both applications, from High Energy Physics (HEP) and from data transfer middleware (GridFTP, Globus Online, Storage Resource Management, XrootD and Squid) at 100 Gbps speeds and 53 ms of latency. Results show that up to 97% efficiency of such high bandwidth high latency network is possible, achieving 80-90 Gbps in most test cases with a peak transfer rate of 100 Gbps. C1 [Rajendran, Anupam; Raicu, Ioan] IIT, Dept Comp Sci, Chicago, IL 60616 USA. [Mhashilkar, Parag; Kim, Hyunwoo; Dykstra, Dave; Garzoglio, Gabriele] Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL USA. [Raicu, Ioan] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL USA. RP Rajendran, A (reprint author), IIT, Dept Comp Sci, Chicago, IL 60616 USA. EM arajend5@hawk.iit.edu; parag@fnal.gov; hyunwoo@fnal.gov; dwd@fnal.gov; garzoglio@fnal.gov; iraicu@cs.iit.edu FU National Science Foundation [1007115]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy [DE- AC02-07CH11359] FX This work is supported by the National Science Foundation under Grant No. 1007115, ExTENCI: Extending Science Through Enhanced National Cyber Infrastructure. This research used resources of the ESnet Testbed, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-05CH11231. This work is supported by the U.S. Department of Energy under contract No. DE- AC02-07CH11359. We also thank the Globus Team for their availability and support. NR 19 TC 1 Z9 1 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-0-7695-4996-5; 978-1-4673-6465-2 J9 IEEE ACM INT SYMP PY 2013 BP 26 EP 33 DI 10.1109/CCGrid.2013.25 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHC86 UT WOS:000325006300005 ER PT S AU Zhao, X Buntinas, D Zounmevo, J Dinan, J Goodell, D Balaji, P Thakur, R Afsahi, A Gropp, W AF Zhao, Xin Buntinas, Darius Zounmevo, Judicael Dinan, James Goodell, David Balaji, Pavan Thakur, Rajeev Afsahi, Ahmad Gropp, William BE Balaji, P Epema, D Fahringer, T TI Toward Asynchronous and MPI-Interoperable Active Messages SO PROCEEDINGS OF THE 2013 13TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID 2013) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid) CY MAY 13-16, 2013 CL Delft Univ Technol, Delft, NETHERLANDS SP IEEE, ACM, IEEE Comp Soc, IEEE Tech Comm Scalable Comp, Netherlands Org Sci Res HO Delft Univ Technol DE Active messages; MPI; Asynchronous progress; Interoperable; Data-intensive applications AB Many new large-scale applications have emerged recently and become important in areas such as bioinformatics and social networks. These applications are often data-intensive and involve irregular communication patterns and complex operations on remote processes. Active messages have proven effective for parallelizing such nontraditional applications. However, most current active messages frameworks are low-level and system-specific, do not efficiently support asynchronous progress, and are not interoperable with two-sided and collective communications. In this paper, we present the design and implementation of an active messages framework inside MPI to provide portability and programmability, and we explore challenges when asynchronously handling active messages and other messages from the network as well as from shared memory. We test our implementation with a set of comprehensive benchmarks. Evaluation results show that our framework has the advantages of overlapping and interoperability, while introducing only a modest overhead. C1 [Zhao, Xin; Gropp, William] Univ Illinois, Urbana, IL 61801 USA. [Buntinas, Darius; Dinan, James; Goodell, David; Balaji, Pavan; Thakur, Rajeev] Argonne Natl Lab, Argonne, IL USA. [Zounmevo, Judicael; Afsahi, Ahmad] Queens Univ, Kingston, ON K7L 3N6, Canada. RP Zhao, X (reprint author), Univ Illinois, Urbana, IL 61801 USA. EM xinzhao3@illinois.edu; buntinas@mcs.anl.gov; judicael.zounmevo@queensu.ca; dinan@mcs.anl.gov; goodell@mcs.anl.gov; balaji@mcs.anl.gov; thakur@mcs.anl.gov; ahmad.afsahi@queensu.ca; wgropp@illinois.edu OI Gropp, William/0000-0003-2905-3029 FU U.S. Department of Energy,Office of Science, Advanced Scientific Computing Research [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy,Office of Science, Advanced Scientific Computing Research, under Contract DE-AC02-06CH11357. We thank Ziaul Haque Olive who provided the derived datatype implementation of Graph500 benchmark. We gratefully acknowledge the computing resources provided on Fusion, a 320-node computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory NR 10 TC 2 Z9 2 U1 0 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-0-7695-4996-5; 978-1-4673-6465-2 J9 IEEE ACM INT SYMP PY 2013 BP 87 EP 94 DI 10.1109/CCGrid.2013.84 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHC86 UT WOS:000325006300015 ER PT S AU Wozniak, JM Armstrong, TG Wilde, M Katz, DS Lusk, E Foster, IT AF Wozniak, Justin M. Armstrong, Timothy G. Wilde, Michael Katz, Daniel S. Lusk, Ewing Foster, Ian T. BE Balaji, P Epema, D Fahringer, T TI Swift/T: Large-scale Application Composition via Distributed-memory Dataflow Processing SO PROCEEDINGS OF THE 2013 13TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID 2013) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid) CY MAY 13-16, 2013 CL Delft Univ Technol, Delft, NETHERLANDS SP IEEE, ACM, IEEE Comp Soc, IEEE Tech Comm Scalable Comp, Netherlands Org Sci Res HO Delft Univ Technol ID LANGUAGE AB Many scientific applications are conceptually built up from independent component tasks as a parameter study, optimization, or other search. Large batches of these tasks may be executed on high-end computing systems; however, the coordination of the independent processes, their data, and their data dependencies is a significant scalability challenge. Many problems must be addressed, including load balancing, data distribution, notifications, concurrent programming, and linking to existing codes. In this work, we present Swift/T, a programming language and runtime that enables the rapid development of highly concurrent, task-parallel applications. Swift/T is composed of several enabling technologies to address scalability challenges, offers a high-level optimizing compiler for user programming and debugging, and provides tools for binding user code in C/C++/Fortran into a logical script. In this work, we describe the Swift/T solution and present scaling results from the IBM Blue Gene/P and Blue Gene/Q. C1 [Wozniak, Justin M.; Wilde, Michael; Lusk, Ewing; Foster, Ian T.] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Armstrong, Timothy G.; Foster, Ian T.] Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. [Wozniak, Justin M.; Wilde, Michael; Katz, Daniel S.; Lusk, Ewing; Foster, Ian T.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Wozniak, Justin M.; Wilde, Michael; Katz, Daniel S.; Lusk, Ewing; Foster, Ian T.] Argonne Natl Lab, Chicago, IL 60637 USA. RP Wozniak, JM (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. FU U.S. DOE Office of Science [DE-AC02-06CH11357, FWP-57810]; National Science Foundation FX This research is supported by the U.S. DOE Office of Science under contract DE-AC02-06CH11357, FWP-57810. Computing resources were provided by the Argonne Leadership Computing Facility. This material was based on work (by Katz) supported by the National Science Foundation, while working at the Foundation. Any opinion, finding, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation NR 33 TC 13 Z9 13 U1 0 U2 4 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-0-7695-4996-5; 978-1-4673-6465-2 J9 IEEE ACM INT SYMP PY 2013 BP 95 EP 102 DI 10.1109/CCGrid.2013.99 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHC86 UT WOS:000325006300016 ER PT S AU Chavarria-Miranda, D Agarwal, K Straatsma, TP AF Chavarria-Miranda, Daniel Agarwal, Khushbu Straatsma, T. P. BE Balaji, P Epema, D Fahringer, T TI Scalable PGAS Metadata Management on Extreme Scale Systems SO PROCEEDINGS OF THE 2013 13TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID 2013) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid) CY MAY 13-16, 2013 CL Delft Univ Technol, Delft, NETHERLANDS SP IEEE, ACM, IEEE Comp Soc, IEEE Tech Comm Scalable Comp, Netherlands Org Sci Res HO Delft Univ Technol ID COMMUNICATION; PERFORMANCE; MPI AB Programming models intended to run on exascale systems have a number of challenges to overcome, specially the sheer size of the system as measured by the number of concurrent software entities created and managed by the underlying runtime. It is clear from the size of these systems that any state maintained by the programming model has to be strictly sub-linear in size, in order not to overwhelm memory usage with pure overhead. A principal feature of Partitioned Global Address Space (PGAS) models is providing easy access to global-view distributed data structures. In order to provide efficient access to these distributed data structures, PGAS models must keep track of metadata such as where array sections are located with respect to processes/threads running on the HPC system. As PGAS models and applications become ubiquitous on very large trans-petascale systems, a key component to their performance and scalability will be efficient and judicious use of memory for model overhead (metadata) compared to application data. We present an evaluation of several strategies to manage PGAS metadata that exhibit different space/time tradeoffs. We use two real-world PGAS applications to capture metadata usage patterns and gain insight into their communication behavior. C1 [Chavarria-Miranda, Daniel; Agarwal, Khushbu; Straatsma, T. P.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Chavarria-Miranda, D (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM daniel.chavarria@pnnl.gov; khushbu.agarwal@pnnl.gov; tps@pnnl.gov NR 20 TC 0 Z9 0 U1 0 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-0-7695-4996-5; 978-1-4673-6465-2 J9 IEEE ACM INT SYMP PY 2013 BP 103 EP 111 DI 10.1109/CCGrid.2013.83 PG 9 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHC86 UT WOS:000325006300017 ER PT S AU Lofstead, J Oldfield, R Kordenbrock, T AF Lofstead, Jay Oldfield, Ron Kordenbrock, Todd BE Balaji, P Epema, D Fahringer, T TI Experiences Applying Data Staging Technology in Unconventional Ways SO PROCEEDINGS OF THE 2013 13TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID 2013) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid) CY MAY 13-16, 2013 CL Delft Univ Technol, Delft, NETHERLANDS SP IEEE, ACM, IEEE Comp Soc, IEEE Tech Comm Scalable Comp, Netherlands Org Sci Res HO Delft Univ Technol AB Several efforts have shown the potential of using additional compute-area resources to enhance the IO path to storage. Efforts like data staging, IO forwarding, and similar techniques can accelerate IO performance and reduce the impact of IO time to a compute application. Hybrid staging enhanced this path by adding processing functionality to locations along the data path to storage. While these efforts have been effective, they have taken a somewhat limited view of the potential benefits using some additional compute resources can offer both to enhance a compute application as well as to offering a way to exploit HPCstyle resources for non-traditional tasks. Over the last few years, we have been experimenting with the potential for other sorts of activities using a staging style approach to add or enable new functionality. The efforts in this area have yielded a collection of small projects that yield some insights into both the potential and limitations of this approach for both achieving exascale computing and for enabling alternative uses for HPC resources. C1 [Lofstead, Jay; Oldfield, Ron] Sandia Natl Labs, CSRI, Livermore, CA 94550 USA. [Kordenbrock, Todd] Hewlett Packard Corp, Palo Alto, CA USA. RP Lofstead, J (reprint author), Sandia Natl Labs, CSRI, Livermore, CA 94550 USA. FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000.]; Office of Science of the Department of Energy [DE-AC05-00OR22725] 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 U.S. Department of Energys National Nuclear Security Administration under contract DE-AC04-94AL85000. An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research 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. NR 21 TC 0 Z9 0 U1 0 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-0-7695-4996-5; 978-1-4673-6465-2 J9 IEEE ACM INT SYMP PY 2013 BP 294 EP 301 DI 10.1109/CCGrid.2013.27 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHC86 UT WOS:000325006300055 ER PT S AU Maheshwari, K Birman, K Wozniak, JM van Zandt, D AF Maheshwari, Ketan Birman, Ken Wozniak, Justin M. van Zandt, Devin BE Balaji, P Epema, D Fahringer, T TI Evaluating Cloud Computing Techniques for Smart Power Grid Design Using Parallel Scripting SO PROCEEDINGS OF THE 2013 13TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID 2013) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid) CY MAY 13-16, 2013 CL Delft Univ Technol, Delft, NETHERLANDS SP IEEE, ACM, IEEE Comp Soc, IEEE Tech Comm Scalable Comp, Netherlands Org Sci Res HO Delft Univ Technol DE Parallel scripting; cloud computing; smart grid AB Applications used to evaluate next-generation electrical power grids ("smart grids") are anticipated to be compute and data-intensive. In this work, we parallelize and improve performance of one such application which was run sequentially prior to the use of our cloud-based configuration. We examine multiple cloud computing offerings, both commercial and academic, to evaluate their potential for improving the turnaround time for application results. Since the target application does not fit well into existing computational paradigms for the cloud, we employ parallel scripting tool, as a first step toward a broader program of adapting portable, scalable computational tools for use as enablers of the future smart grids. We use multiple clouds as a way to reassure potential users that the risk of cloud-vendor lock-in can be managed. This paper discusses our methods and results. Our experience sheds light on some of the issues facing computational scientists and engineers tasked with adapting new paradigms and infrastructures for existing engineering design problems. C1 [Maheshwari, Ketan; Wozniak, Justin M.] Argonne Natl Lab, MCS Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Birman, Ken] Cornell Univ, Dept Comp Sci, Ithaca, NY 14853 USA. [van Zandt, Devin] GE Energy Management, Schenectady, NY 12345 USA. RP Maheshwari, K (reprint author), Argonne Natl Lab, MCS Div, 9700 S Cass Ave, Argonne, IL 60439 USA. FU U.S. Department of Energy [DE-AC0206CH11357] FX We thank our colleague Robbert van Renesse for his valuable inputs. This work was partially supported by the U.S. Department of Energy, under Contract No. DE-AC0206CH11357 NR 27 TC 6 Z9 6 U1 1 U2 6 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-0-7695-4996-5; 978-1-4673-6465-2 J9 IEEE ACM INT SYMP PY 2013 BP 319 EP 326 DI 10.1109/CCGrid.2013.26 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHC86 UT WOS:000325006300058 ER PT S AU Gong, ZH Boyuka, DA Zou, XC Liu, Q Podhorszki, N Klasky, S Ma, XS Samatova, NF AF Gong, Zhenhuan Boyuka, David A., II Zou, Xiaocheng Liu, Qing Podhorszki, Norbert Klasky, Scott Ma, Xiaosong Samatova, Nagiza F. BE Balaji, P Epema, D Fahringer, T TI PARLO: PArallel Run-time Layout Optimization for Scientific Data Explorations with Heterogeneous Access Patterns SO PROCEEDINGS OF THE 2013 13TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID 2013) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid) CY MAY 13-16, 2013 CL Delft Univ Technol, Delft, NETHERLANDS SP IEEE, ACM, IEEE Comp Soc, IEEE Tech Comm Scalable Comp, Netherlands Org Sci Res HO Delft Univ Technol AB The size and scope of cutting-edge scientific simulations are growing much faster than the I/O and storage capabilities of their run-time environments. The growing gap is exacerbated by exploratory, data-intensive analytics, such as querying simulation data with multivariate, spatio-temporal constraints, which induces heterogeneous access patterns that stress the performance of the underlying storage system. Previous work addresses data layout and indexing techniques to improve query performance for a single access pattern, which is not sufficient for complex analytics jobs. We present PARLO a parallel run-time layout optimization framework, to achieve multi-level data layout optimization for scientific applications at run-time before data is written to storage. The layout schemes optimize for heterogeneous access patterns with user-specified priorities. PARLO is integrated with ADIOS, a high-performance parallel I/O middleware for large-scale HPC applications, to achieve user-transparent, light-weight layout optimization for scientific datasets. It offers simple XML-based configuration for users to achieve flexible layout optimization without the need to modify or recompile application codes. Experiments show that PARLO improves performance by 2 to 26 times for queries with heterogeneous access patterns compared to state-of-the-art scientific database management systems. Compared to traditional post-processing approaches, its underlying run-time layout optimization achieves a 56% savings in processing time and a reduction in storage overhead of up to 50%. PARLO also exhibits a low run-time resource requirement, while also limiting the performance impact on running applications to a reasonable level. C1 [Gong, Zhenhuan; Boyuka, David A., II; Zou, Xiaocheng; Ma, Xiaosong; Samatova, Nagiza F.] North Carolina State Univ, Raleigh, NC 27695 USA. [Gong, Zhenhuan; Boyuka, David A., II; Zou, Xiaocheng; Liu, Qing; Podhorszki, Norbert; Klasky, Scott; Ma, Xiaosong; Samatova, Nagiza F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Samatova, NF (reprint author), North Carolina State Univ, Raleigh, NC 27695 USA. EM samatova@csc.ncsu.edu FU U.S. Department of Energy, Office of Science; U.S. National Science Foundation (Expeditions in Computing and EAGER programs); LLC U.S. D.O.E [DEAC05- 00OR22725] FX We would like to acknowledge the use of resources at ORNL's leadership class computing facility, OLCF. Also, we appreciate the use of the datasets available from the Flash Center for Computational Science. This work was supported in part by the U.S. Department of Energy, Office of Science and the U.S. National Science Foundation (Expeditions in Computing and EAGER programs). Oak Ridge National Laboratory is managed by UT- Battelle for the LLC U.S. D.O.E. under contract no. DEAC05- 00OR22725. NR 25 TC 2 Z9 2 U1 0 U2 11 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-0-7695-4996-5; 978-1-4673-6465-2 J9 IEEE ACM INT SYMP PY 2013 BP 343 EP 351 DI 10.1109/CCGrid.2013.58 PG 9 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHC86 UT WOS:000325006300061 ER PT S AU Xu Cong Venkata, MG Graham, RL Wang, YD Liu, Z Yu, WK AF Xu, Cong Venkata, Manjunath Gorentla Graham, Richard L. Wang, Yandong Liu, Zhuo Yu, Weikuan BE Balaji, P Epema, D Fahringer, T TI SLOAVx: Scalable LOgarithmic AlltoallV Algorithm for Hierarchical Multicore Systems SO PROCEEDINGS OF THE 2013 13TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID 2013) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid) CY MAY 13-16, 2013 CL Delft Univ Technol, Delft, NETHERLANDS SP IEEE, ACM, IEEE Comp Soc, IEEE Tech Comm Scalable Comp, Netherlands Org Sci Res HO Delft Univ Technol DE MPI; AlltoallV Algorithm; Collectives; Scalability AB Scientific applications use collective communication operations in Message Passing Interface (MPI) for global synchronization and data exchanges. Alltoall and AlltoallV are two important collective operations. They are used by MPI jobs to exchange messages among all of MPI processes. AlltoallV is a generalization of Alltoall, supporting messages of varying sizes. However, the existing MPI AlltoallV implementation has linear complexity, i.e., each process has to send messages to all other processes in the job. Such linear complexity can result in suboptimal scalability of MPI applications when they are deployed on millions of cores. To address above challenge, in this paper, we introduce a new Scalable LOgarithmic AlltoallV algorithm, named SLOAV, for MPI AlltoallV collective operation. SLOAV aims to achieve global exchange of small messages of different sizes in a logarithmic number of rounds. Furthermore, given the prevalence of multicore systems with shared memory, we design a hierarchical AlltoallV algorithm based on SLOAV by leveraging the advantages of shared memory, which is referred to as SLOAVx. Compared to SLOAV, SLOAVx significantly reduces the inter-node communication, thus improving the entire system performance and mitigating the impact of message latency. We have implemented and embedded both algorithms in Open MPI. Our evaluation on large-scale computer systems shows that for the 8-byte and 1024-process MPI_Alltoallv operation, the SLOAV can reduce the latency by as much as 86.4%, when compared to the state-of-the-art, and SLOAVx can further optimize the SLOAV by up to 83.1% in terms of message latency on multicore systems. In addition, experiments with NAS Parallel Benchmark (NPB) demonstrate that our algorithms are very effective for real-world applications. C1 [Xu, Cong; Wang, Yandong; Liu, Zhuo; Yu, Weikuan] Auburn Univ, Auburn, AL 36849 USA. [Venkata, Manjunath Gorentla; Graham, Richard L.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Xu Cong (reprint author), Auburn Univ, Auburn, AL 36849 USA. EM congxu@auburn.edu; manjugv@ornl.gov; rlgraham@ornl.gov; wangyd@auburn.edu; zhuoliu@auburn.edu; wkyu@auburn.edu FU Alabama Innovation Award to Weikuan Yu and a UT-Battelle [4000087151]; NSF [CNS-1059376]; Office of Science of the U.S. Department of Energy [DE-AC05000R22725] FX This work is funded in part by an Alabama Innovation Award to Weikuan Yu and a UT-Battelle award 4000087151. It is also enabled by an NSF award CNS-1059376 to Auburn University. This research used resources of the 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-AC05000R22725. NR 14 TC 4 Z9 4 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-0-7695-4996-5; 978-1-4673-6465-2 J9 IEEE ACM INT SYMP PY 2013 BP 369 EP 376 DI 10.1109/CCGrid.2013.22 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHC86 UT WOS:000325006300064 ER PT J AU Nelson, MA Ondov, JM VanDerveer, MC Buchholz, BA AF Nelson, Michael A. Ondov, John M. VanDerveer, Michael C. Buchholz, Bruce A. TI CONTEMPORARY FRACTION OF BIS(2-ETHYLHEXYL) PHTHALATE IN STILTON CHEESE BY ACCELERATOR MASS SPECTROMETRY SO RADIOCARBON LA English DT Article; Proceedings Paper CT 21st International Radiocarbon Conference CY 2012 CL Paris, FRANCE ID ACID ESTERS; C-14 DATA; EXPOSURE; AMS; GRAPHITE; SAMPLES; MILK; DBP AB Measurements of the radiocarbon abundance in 5 samples of bis(2-ethylhexyl) phthalate (DEHP) isolated from Stilton cheese were made by accelerator mass spectrometry (AMS) to determine the fraction of carbon originating from contemporary biogenic sources. DEHP is classified as a "priority hazardous substance" by the European Union, a probable human carcinogen by the United States Environmental Protection Agency, and is suspected to be a human endocrine disrupter. Measurement of its C-14 abundance in a specific food indicates whether its presence is due to contamination from industrially synthesized DEHP or a naturally inherent component. A method was developed to determine the contemporary carbon fraction of DEHP in a fatty food matrix at concentrations of approximate to 0.14 mg/kg. Five 90-mu g quantities of DEHP were extracted from 12 kg of Stilton cheese and isolated by silica gel, size exclusion, and high-performance liquid chromatography (HPLC). Masses of samples were determined by gas chromatography mass spectrometry (GC-MS) analyses prior to combustion and manometry afterwards. The purity of DEHP carbon mass in each isolate was determined by multivariate deconvolution of GCMS fragmentation spectra obtained from measurements of standards and isolates, and ranged from 88.0 +/- 1.8% to 92.3 +/- 1.1% (n = 5, 1 sigma). Concurrently processed isolation method blanks contained from 0.15 +/- 0.04 to 1.52 +/- 0.06 mu g (n = 3, 1 sigma) DEHP per sample and significant quantities of pre- and post-chromatographic extraneous carbon contamination. The mean C-14-corrected contemporary carbon fraction of DEHP in the isolates was 0.235 +/- 0.073 (1 sigma; and +/- 0.091 at the 95% confidence level), revealing that the majority of DEHP in Stilton cheese results from anthropogenic sources, but with a significant naturally occurring component. C1 [Nelson, Michael A.; Ondov, John M.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA. [Nelson, Michael A.] NIST, Div Analyt Chem, Mat Measurement Lab, Gaithersburg, MD 20899 USA. [VanDerveer, Michael C.] US FDA, Univ Stn, College Pk, MD 20740 USA. [Buchholz, Bruce A.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. RP Nelson, MA (reprint author), Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA. EM manelson@umd.edu FU US Food and Drug Administration's Office of Food Additive Safety (Division of Food Contact Notification) [U01FD001418]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed with funding from the US Food and Drug Administration's Office of Food Additive Safety (Division of Food Contact Notification) under grant number U01FD001418; and in part under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We thank Michele Schantz of the NIST Analytical Chemistry Division for providing guidance and training; and Professor Alan Kaufman, Dept. of Geology at the University of Maryland College Park, for performing 13C/12C isotope ratio measurements in his Stable Isotope Laboratory. Certain commercial equipment, instruments, or materials are identified in this paper to specify adequately the experimental procedure. Such identification does not imply recommendation or endorsement by the National Institute of Standards and Technology or the US Food and Drug Administration, nor does it imply that the materials or equipment identified are necessarily the best available for the purpose. NR 21 TC 1 Z9 1 U1 0 U2 12 PU UNIV ARIZONA DEPT GEOSCIENCES PI TUCSON PA RADIOCARBON 4717 E FORT LOWELL RD, TUCSON, AZ 85712 USA SN 0033-8222 EI 1945-5755 J9 RADIOCARBON JI Radiocarbon PY 2013 VL 55 IS 2-3 BP 686 EP 697 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 235WK UT WOS:000325752100056 ER PT J AU Miller, J Lehman, S Wolak, C Turnbull, J Dunn, G Graven, H Keeling, R Meijer, HAJ Aerts-Bijma, AT Palstra, SWL Smith, AM Allison, C Southon, J Xu, XM Nakazawa, T Aoki, S Nakamura, T Guilderson, T LaFranchi, B Mukai, H Terao, Y Uchida, M Kondo, M AF Miller, John Lehman, Scott Wolak, Chad Turnbull, Jocelyn Dunn, Gregory Graven, Heather Keeling, Ralph Meijer, Harro A. J. Aerts-Bijma, Anita Th Palstra, Sanne W. L. Smith, Andrew M. Allison, Colin Southon, John Xu, Xiaomei Nakazawa, Takakiyo Aoki, Shuji Nakamura, Toshio Guilderson, Thomas LaFranchi, Brian Mukai, Hitoshi Terao, Yukio Uchida, Masao Kondo, Miyuki TI INITIAL RESULTS OF AN INTERCOMPARISON OF AMS-BASED ATMOSPHERIC (CO2)-C-14 MEASUREMENTS SO RADIOCARBON LA English DT Article; Proceedings Paper CT 21st International Radiocarbon Conference CY 2012 CL Paris, FRANCE ID FOSSIL-FUEL CO2; HIGH-PRECISION; C-14 MEASUREMENTS; EXCHANGE; FACILITY; ANTARES; JAPAN AB This article presents results from the first 3 rounds of an international intercomparison of measurements of Delta(CO2)-C-14 in liter-scale samples of whole air by groups using accelerator mass spectrometry (AMS). The ultimate goal of the intercomparison is to allow the merging of Delta(CO2)-C-14 data from different groups, with the confidence that differences in the data are geophysical gradients and not artifacts of calibration. Eight groups have participated in at least 1 round of the intercomparison, which has so far included 3 rounds of air distribution between 2007 and 2010. The comparison is intended to be ongoing, so that: a) the community obtains a regular assessment of differences between laboratories; and b) individual laboratories can begin to assess the long-term repeatability of their measurements of the same source air. Air used in the intercomparison was compressed into 2 high-pressure cylinders in 2005 and 2006 at Niwot Ridge, Colorado (USA), with one of the tanks "spiked" with fossil CO2, so that the 2 tanks span the range of Delta(CO2)-C-14 typically encountered when measuring air from both remote background locations and polluted urban ones. Three groups show interlaboratory comparability within 1 parts per thousand for ambient level Delta(CO2)-C-14. For high CO2/low Delta(CO2)-C-14 air, 4 laboratories showed comparability within 2 parts per thousand. This approaches the goals set out by the World Meteorological Organization (WMO) CO2 Measurements Experts Group in 2005. One important observation is that single-sample precisions typically reported by the AMS community cannot always explain the observed differences within and between laboratories. This emphasizes the need to use long-term repeatability as a metric for measurement precision, especially in the context of long-term atmospheric monitoring. C1 [Miller, John] NOAA, Earth Syst Res Lab, Boulder, CO USA. [Miller, John] Univ Colorado, CIRES, Boulder, CO 80309 USA. [Lehman, Scott; Wolak, Chad; Turnbull, Jocelyn; Dunn, Gregory] Univ Colorado, INSTAAR, Boulder, CO 80309 USA. [Graven, Heather; Keeling, Ralph] Scripps Inst Oceanog, San Diego, CA USA. [Meijer, Harro A. J.; Aerts-Bijma, Anita Th; Palstra, Sanne W. L.] Univ Groningen, Ctr Isotope Res, Groningen, Netherlands. [Smith, Andrew M.] Australian Nucl Sci & Technol Org, Lucas Heights, Australia. [Allison, Colin] CSIRO, Marine & Atmospher Res, Aspendale, Vic, Australia. [Southon, John; Xu, Xiaomei] Univ Calif Irvine, Irvine, CA USA. [Nakazawa, Takakiyo; Aoki, Shuji] Tohoku Univ, Sendai, Miyagi 980, Japan. [Nakamura, Toshio] Nagoya Univ, Nagoya, Aichi 4648601, Japan. [Guilderson, Thomas; LaFranchi, Brian] Lawrence Livermore Natl Lab, Livermore, CA USA. [Mukai, Hitoshi; Terao, Yukio; Uchida, Masao; Kondo, Miyuki] Nat Inst Environm Studies, Tsukuba, Ibaraki, Japan. RP Miller, J (reprint author), NOAA, Earth Syst Res Lab, Boulder, CO USA. EM john.b.miller@noaa.gov RI Meijer, Harro/A-5787-2012; Terao, Yukio/A-2099-2008; Uchida, Masao/C-3673-2013; OI Terao, Yukio/0000-0003-2345-7073; Turnbull, Jocelyn/0000-0002-0306-9658 NR 26 TC 4 Z9 4 U1 1 U2 15 PU UNIV ARIZONA DEPT GEOSCIENCES PI TUCSON PA RADIOCARBON 4717 E FORT LOWELL RD, TUCSON, AZ 85712 USA SN 0033-8222 EI 1945-5755 J9 RADIOCARBON JI Radiocarbon PY 2013 VL 55 IS 2-3 BP 1475 EP 1483 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 235WK UT WOS:000325752100134 ER PT J AU Lehman, SJ Miller, JB Wolak, C Southon, J Tans, PP Montzka, SA Sweeney, C Andrews, A LaFranchi, B Guilderson, TP Turnbull, JC AF Lehman, Scott J. Miller, John B. Wolak, Chad Southon, John Tans, Pieter P. Montzka, Stephen A. Sweeney, Colm Andrews, Arlyn LaFranchi, Brian Guilderson, Thomas P. Turnbull, Jocelyn C. TI ALLOCATION OF TERRESTRIAL CARBON SOURCES USING (CO2)-C-14: METHODS, MEASUREMENT, AND MODELING SO RADIOCARBON LA English DT Article; Proceedings Paper CT 21st International Radiocarbon Conference CY 2012 CL Paris, FRANCE ID FOSSIL-FUEL CO2; ATMOSPHERIC CO2; CYCLE; RADIOCARBON; VARIABILITY; EMISSIONS; DIOXIDE; EUROPE AB The radiocarbon content of whole air provides a theoretically ideal and now observationally proven tracer for recently added fossil-fuel-derived CO2 in the atmosphere (C-ff). Over large industrialized land areas, determination of C-ff also constrains the change in CO2 due to uptake and release by the terrestrial biosphere. Here, we review the development of a Delta(CO2)-C-14 measurement program and its implementation within the US portion of the NOAA Global Monitoring Division's air sampling network. The Delta(CO2)-C-14 measurement repeatability is evaluated based on surveillance cylinders of whole air and equates to a C-ff detection limit of <= 0.9 ppm from measurement uncertainties alone. We also attempt to quantify additional sources of uncertainty arising from non-fossil terms in the atmospheric (CO2)-C-14 budget and from uncertainties in the composition of "background" air against which C-ff enhancements occur. As an example of how we apply the measurements, we present estimates of the boundary layer enhancements of C-ff and Cb-io using observations obtained from vertical airborne sampling profiles off of the northeastern US. We also present an updated time series of measurements from NOAA GMD's Niwot Ridge site at 3475 m asl in Colorado in order to characterize recent Delta(CO2)-C-14 variability in the well-mixed free troposphere. C1 [Lehman, Scott J.; Wolak, Chad] Univ Colorado, Inst Arctic & Alpine Res, Boulder, CO 80309 USA. [Miller, John B.; Tans, Pieter P.; Montzka, Stephen A.; Sweeney, Colm; Andrews, Arlyn] NOAA, Earth Syst Res Lab, Boulder, CO USA. [Miller, John B.; Sweeney, Colm; Andrews, Arlyn; Turnbull, Jocelyn C.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Southon, John] Univ Calif Irvine, Keck AMS Facil, Irvine, CA USA. [LaFranchi, Brian; Guilderson, Thomas P.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Turnbull, Jocelyn C.] GNS Sci, Natl Isotope Ctr, Lower Hutt, New Zealand. RP Lehman, SJ (reprint author), Univ Colorado, Inst Arctic & Alpine Res, Boulder, CO 80309 USA. RI Andrews, Arlyn/K-3427-2012; OI Turnbull, Jocelyn/0000-0002-0306-9658; Montzka, Stephen/0000-0002-9396-0400 NR 29 TC 14 Z9 14 U1 1 U2 15 PU UNIV ARIZONA DEPT GEOSCIENCES PI TUCSON PA RADIOCARBON 4717 E FORT LOWELL RD, TUCSON, AZ 85712 USA SN 0033-8222 EI 1945-5755 J9 RADIOCARBON JI Radiocarbon PY 2013 VL 55 IS 2-3 BP 1484 EP 1495 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 235WK UT WOS:000325752100135 ER PT J AU Szidat, S Bench, G Bernardoni, V Calzolai, G Czimczik, CI Derendorp, L Dusek, U Elder, K Fedi, ME Genberg, J Gustafsson, O Kirillova, E Kondo, M McNichol, AP Perron, N Santos, GM Stenstrom, K Swietlicki, E Uchida, M Vecchi, R Wacker, L Zhang, YL Prevot, ASH AF Szidat, S. Bench, G. Bernardoni, V. Calzolai, G. Czimczik, C. I. Derendorp, L. Dusek, U. Elder, K. Fedi, M. E. Genberg, J. Gustafsson, O. Kirillova, E. Kondo, M. McNichol, A. P. Perron, N. Santos, G. M. Stenstrom, K. Swietlicki, E. Uchida, M. Vecchi, R. Wacker, L. Zhang, Y. L. Prevot, A. S. H. TI INTERCOMPARISON OF C-14 ANALYSIS OF CARBONACEOUS AEROSOLS: EXERCISE 2009 SO RADIOCARBON LA English DT Article; Proceedings Paper CT 21st International Radiocarbon Conference CY 2012 CL Paris, FRANCE ID SOURCE APPORTIONMENT; BLACK CARBON; ELEMENTAL CARBON; ATMOSPHERIC AEROSOLS; RADIOCARBON ANALYSIS; SAMPLES; QUANTIFICATION; EC; FRACTIONS; CLIMATE AB Radiocarbon analysis of the carbonaceous aerosol allows an apportionment of fossil and non-fossil sources of airborne particulate matter (PM). A chemical separation of total carbon (TC) into its subfractions organic carbon (OC) and elemental carbon (EC) refines this powerful technique, as OC and EC originate from different sources and undergo different processes in the atmosphere. Although C-14 analysis of TC, EC, and OC has recently gained increasing attention, interlaboratory quality assurance measures have largely been missing, especially for the isolation of EC and OC. In this work, we present results from an intercomparison of 9 laboratories for C-14 analysis of carbonaceous aerosol samples on quartz fiber filters. Two ambient PM samples and 1 reference material (RM 8785) were provided with representative filter blanks. All laboratories performed C-14 determinations of TC and a subset of isolated EC and OC for isotopic measurement. In general, C-14 measurements of TC and OC agreed acceptably well between the laboratories, i.e. for TC within 0.015-0.025 (FC)-C-14 for the ambient filters and within 0.041 (FC)-C-14 for RM 8785. Due to inhomogeneous filter loading, RM 8785 demonstrated only limited applicability as a reference material for C-14 analysis of carbonaceous aerosols. C-14 analysis of EC revealed a large deviation between the laboratories of 28-79% as a consequence of different separation techniques. This result indicates a need for further discussion on optimal methods of EC isolation for C-14 analysis and a second stage of this intercomparison. C1 [Szidat, S.; Zhang, Y. L.] Univ Bern, Dept Chem & Biochem, Bern, Switzerland. [Szidat, S.; Zhang, Y. L.] Univ Bern, Oeschger Ctr Climate Change Res, Bern, Switzerland. [Bench, G.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Bernardoni, V.; Vecchi, R.] Univ Milan, Dept Phys, Milan, Italy. [Bernardoni, V.; Vecchi, R.] Natl Inst Nucl Phys INFN, Milan, Italy. [Calzolai, G.; Fedi, M. E.] Univ Florence, Natl Inst Nucl Phys INFN, Sesto Fiorentino, Italy. [Calzolai, G.; Fedi, M. E.] Univ Florence, Dept Phys & Astron, Sesto Fiorentino, Italy. [Czimczik, C. I.; Santos, G. M.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA. [Derendorp, L.; Dusek, U.] Univ Utrecht, Inst Marine & Atmospher Res Utrecht, Utrecht, Netherlands. [Elder, K.; McNichol, A. P.] Woods Hole Oceanog Inst, NOSAMS, Woods Hole, MA 02543 USA. [Genberg, J.; Perron, N.; Stenstrom, K.; Swietlicki, E.] Lund Univ, Dept Phys, S-22362 Lund, Sweden. [Gustafsson, O.; Kirillova, E.] Stockholm Univ, Dept Appl Environm Sci, S-10691 Stockholm, Sweden. [Kondo, M.; Uchida, M.] Natl Inst Environm Studies, Ctr Environm Measurement & Anal, Tsukuba, Ibaraki, Japan. [Perron, N.; Zhang, Y. L.; Prevot, A. S. H.] Paul Scherrer Inst, Villigen, Switzerland. [Wacker, L.] ETH Honggerberg, Lab Ion Beam Phys, CH-8093 Zurich, Switzerland. RP Szidat, S (reprint author), Univ Bern, Dept Chem & Biochem, Bern, Switzerland. EM szidat@iac.unibe.ch RI Prevot, Andre/C-6677-2008; Swietlicki, Erik/B-9426-2014; Zhang, Yan-Lin/I-3875-2012; Szidat, Sonke/D-6706-2011; Uchida, Masao/C-3673-2013; OI Prevot, Andre/0000-0002-9243-8194; Zhang, Yan-Lin/0000-0002-8722-8635; Szidat, Sonke/0000-0002-1824-6207; Fedi, Mariaelena/0000-0003-2658-8378; Vecchi, Roberta/0000-0002-1666-1802; Bernardoni, Vera/0000-0003-1054-9489 FU European Union [262254] FX We are grateful to J-P Putaud (JRC Ispra) for collection of ambient aerosol samples and G A Klouda (NIST) for providing RMs 8785 and 8786. Parts of the research leading to these results have received funding from the European Union Seventh Framework Program (FP7/2007-2013) under grant agreement no 262254. NR 31 TC 11 Z9 12 U1 2 U2 25 PU UNIV ARIZONA DEPT GEOSCIENCES PI TUCSON PA RADIOCARBON 4717 E FORT LOWELL RD, TUCSON, AZ 85712 USA SN 0033-8222 EI 1945-5755 J9 RADIOCARBON JI Radiocarbon PY 2013 VL 55 IS 2-3 BP 1496 EP 1509 DI 10.2458/azu_js_rc.55.16314 PG 14 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 235WK UT WOS:000325752100136 ER PT J AU Graven, HD Xu, X Guilderson, TP Keeling, RF Trumbore, SE Tyler, S AF Graven, H. D. Xu, X. Guilderson, T. P. Keeling, R. F. Trumbore, S. E. Tyler, S. TI COMPARISON OF INDEPENDENT Delta(CO2)-C-14 RECORDS AT POINT BARROW, ALASKA SO RADIOCARBON LA English DT Article; Proceedings Paper CT 21st International Radiocarbon Conference CY 2012 CL Paris, FRANCE ID HIGH-PRECISION; CO2 AB Two independent programs have collected and analyzed atmospheric CO2 samples from Point Barrow, Alaska, for radiocarbon content (Delta C-14) over the period 2003-2007. In one program, flask collection, stable isotope analysis, and CO2 extraction are performed by the Scripps Institution of Oceanography's CO2 Program and CO2 is graphitized and measured by accelerator mass spectrometry (AMS) at Lawrence Livermore National Laboratory. In the other program, the University of California, Irvine, performs flask collection, sample preparation, and AMS. Over 22 common sample dates spanning 5 yr, differences in measured Delta C-14 are consistent with the reported uncertainties and there is no significant bias between the programs. C1 [Graven, H. D.; Keeling, R. F.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Xu, X.; Tyler, S.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Guilderson, T. P.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Guilderson, T. P.] Univ Calif Santa Cruz, Dept Ocean Sci, Santa Cruz, CA 95064 USA. [Trumbore, S. E.] Max Planck Inst Biogeochem, D-07701 Jena, Germany. RP Graven, HD (reprint author), Univ Calif San Diego, Scripps Inst Oceanog, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM hgraven@ucsd.edu FU US Department of Energy [DE-AC52-07NA27344] FX We are grateful to NOAA and the Point Barrow field station personnel for collecting flask samples. Alane Bollenbacher performed stable isotopic analyses at SIO. A portion of this work was performed under the auspices of the US Department of Energy under contract DE-AC52-07NA27344. NR 17 TC 3 Z9 3 U1 2 U2 12 PU UNIV ARIZONA DEPT GEOSCIENCES PI TUCSON PA RADIOCARBON 4717 E FORT LOWELL RD, TUCSON, AZ 85712 USA SN 0033-8222 EI 1945-5755 J9 RADIOCARBON JI Radiocarbon PY 2013 VL 55 IS 2-3 BP 1541 EP 1545 PG 5 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 235WK UT WOS:000325752100140 ER PT J AU McLaughlin, MF Woodward, J Boll, RA Rondinone, AJ Mirzadeh, S Robertson, JD AF McLaughlin, M. F. Woodward, J. Boll, R. A. Rondinone, A. J. Mirzadeh, S. Robertson, J. D. TI Gold-coated lanthanide phosphate nanoparticles for an Ac-225 in vivo alpha generator SO RADIOCHIMICA ACTA LA English DT Article DE Ac-225; Targeted alpha therapy; Nanoparticles ID CANCER-THERAPY; LIPOSOMES AB Retaining radioactive daughter products at a clinically relevant target site remains one of the major challenges in development of in vivo a generators with radionuclides such as Ac-225 and Ra-223. In this work, we examine the ability of layered nanoparticle constructs to retain Ac-225 and the first decay daughter, Fr-221. Actinium-225 is cocrystalized in a lanthanide phosphate nanoparticle consisting of varying amounts of La and Gd. Additional lanthanide phosphate layers improve retention capability while an outer layer of gold facilitates the attachment of targeting moieties for in vivo use. Retention of Ac-225 in the nanoparticles is near quantitative while the 221Fr retention varies from 60-89% as a function of time, the number of layers, and nanoparticle composition. Decay corrected radiochemical yield in the multi-shell syntheses are high (76%) and comparable to or better than existing delivery approaches. C1 [McLaughlin, M. F.; Robertson, J. D.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. [McLaughlin, M. F.; Robertson, J. D.] Univ Missouri, Univ Missouri Res Reactor, Columbia, MO 65211 USA. [McLaughlin, M. F.; Woodward, J.; Boll, R. A.; Rondinone, A. J.; Mirzadeh, S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Robertson, JD (reprint author), Univ Missouri, Dept Chem, Columbia, MO 65211 USA. EM RobertsonJO@missouri.edu RI Rondinone, Adam/F-6489-2013; Boll, Rose/C-4138-2016 OI Rondinone, Adam/0000-0003-0020-4612; Boll, Rose/0000-0003-2507-4834 FU Isotope Production/Distribution Program, Office of Nuclear Physics of the US Department of Energy (DOE); DOE Nuclear Energy University Program Graduate Fellowship; Oak Ridge National Laboratory by the Office of Basic Energy Sciences, US DOE; US Department of energy [DE-AC05-00OR22725] FX Research supported in part by the Isotope Production/Distribution Program, Office of Nuclear Physics of the US Department of Energy (DOE), and under a DOE Nuclear Energy University Program Graduate Fellowship. A portion of 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, US DOE. ORNL is managed by UT-Battelle, LLC, for the US Department of energy under contract DE-AC05-00OR22725. This manuscript has been authored in part by UT-Battelle LLC under Contract No. DE-AC05-00OR22725 with the US Department of Energy. The publisher, by accepting the article for publication, acknowledges that the US Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 20 TC 2 Z9 2 U1 0 U2 11 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0033-8230 J9 RADIOCHIM ACTA JI Radiochim. Acta PY 2013 VL 101 IS 9 BP 595 EP 600 DI 10.1524/ract.2013.2066 PG 6 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 232QK UT WOS:000325508900008 ER PT B AU Stoffel, T AF Stoffel, Tom BA Kleissl, J BF Kleissl, J TI Terms and Definitions SO SOLAR ENERGY FORECASTING AND RESOURCE ASSESSMENT LA English DT Article; Book Chapter ID SOLAR IRRADIANCE; MODELS C1 Natl Renewable Energy Lab, Solar Resources & Forecasting Grp, Golden, CO 80401 USA. RP Stoffel, T (reprint author), Natl Renewable Energy Lab, Solar Resources & Forecasting Grp, Golden, CO 80401 USA. NR 26 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA BN 978-0-12-397772-4; 978-0-12-397177-7 PY 2013 BP 1 EP 19 PG 19 WC Energy & Fuels; Meteorology & Atmospheric Sciences SC Energy & Fuels; Meteorology & Atmospheric Sciences GA BHE42 UT WOS:000325159600002 ER PT B AU Miller, SD Heidinger, AK Sengupta, M AF Miller, Steven D. Heidinger, Andrew K. Sengupta, Manajit BA Kleissl, J BF Kleissl, J TI Physically Based Satellite Methods SO SOLAR ENERGY FORECASTING AND RESOURCE ASSESSMENT LA English DT Article; Book Chapter ID CLOUD-TOP HEIGHT; SOLAR-RADIATION; MODEL; SURFACE; IRRADIANCE; ALGORITHM; APPROXIMATION; IMPROVEMENTS; ATMOSPHERES; VALIDATION C1 [Miller, Steven D.] Colorado State Univ, Cooperat Inst Res Atmosphere, Ft Collins, CO 80523 USA. [Heidinger, Andrew K.] Natl Environm Satellite Data & Informat Serv, NOAA, Ctr Satellite Applicat & Res, Washington, DC USA. [Sengupta, Manajit] Natl Renewable Energy Lab, Golden, CO USA. RP Miller, SD (reprint author), Colorado State Univ, Cooperat Inst Res Atmosphere, Ft Collins, CO 80523 USA. NR 60 TC 6 Z9 6 U1 0 U2 0 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA BN 978-0-12-397772-4; 978-0-12-397177-7 PY 2013 BP 49 EP 79 PG 31 WC Energy & Fuels; Meteorology & Atmospheric Sciences SC Energy & Fuels; Meteorology & Atmospheric Sciences GA BHE42 UT WOS:000325159600004 ER PT B AU Lave, M Kleissl, J Stein, J AF Lave, Matthew Kleissl, Jan Stein, Joshua BA Kleissl, J BF Kleissl, J TI Quantifying and Simulating Solar-Plant Variability Using Irradiance Data SO SOLAR ENERGY FORECASTING AND RESOURCE ASSESSMENT LA English DT Article; Book Chapter ID MODEL C1 [Lave, Matthew; Kleissl, Jan] Univ Calif San Diego, Dept Mech & Aerosp Engn, San Diego, CA 92103 USA. [Lave, Matthew] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Stein, Joshua] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lave, M (reprint author), Univ Calif San Diego, Dept Mech & Aerosp Engn, San Diego, CA 92103 USA. NR 12 TC 3 Z9 3 U1 0 U2 0 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA BN 978-0-12-397772-4; 978-0-12-397177-7 PY 2013 BP 149 EP 169 PG 21 WC Energy & Fuels; Meteorology & Atmospheric Sciences SC Energy & Fuels; Meteorology & Atmospheric Sciences GA BHE42 UT WOS:000325159600008 ER PT S AU Fischer, P Im, MY Hong, JI AF Fischer, P. Im, M. -Y. Hong, J. -I. BE Drouhin, HJ Wegrowe, JE Razeghi, M TI Soft X-ray microscopy: Facing the mesoscale challenge in magnetism SO SPINTRONICS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Symposium on Spintronics VI CY AUG 25-29, 2013 CL San Diego, CA SP SPIE DE XMCD; magnetic soft x-ray transmission microscopy; Dzyaloshinskii-Moriya interaction; magnetic vortex; X-ray optics; mesoscience; soft X-ray tomography ID PERMALLOY AB For more than a decade magnetism research focused on a fundamental understanding and controlling of spins on a nanoscale. The next step beyond the nanoscale will be governed by mesoscale phenomena. Those are expected to add complexity and functionality, which are essential design parameters e. g. for the realization of future spintronic devices. Advanced characterization techniques will play key roles in achieving mesoscience goals and multidimensional spectro-microscopies utilizing polarized soft x-rays offering a unique combination of spatiotemporal resolution, elemental and magnetic sensitivity, and tomographic capabilities are very promising. As an example for complex behavior we show experimental results of the stochastic character of the nucleation of magnetic vortex structures in arrays of permalloy nanodisk. We have used magnetic soft x-ray microscopy to image at 25nm spatial resolution and a field of view of about 8 mu m diameter both the circularity and the polarity of the disk, which allowed us to categorize the nucleated vortex state without ambiguity. We have found a symmetry breaking effect in the final vortex state, represented by a preferred handedness. We were able to identify as the origin of the asymmetry an internal Dzyaloshinskii-Moriya interaction arising from a broken inversion symmetry at the top and bottom surface/interface of the disk. Full 3-dimensional micromagnetic simulations confirmed our experimental observation. Here we present our observations with regard to disk diameter and disk thickness. Various soft x-ray microscopy approaches are currently pursued to obtain full 3dimensional images of magnetic structures, including computed reconstruction of 2dim projection images. C1 [Fischer, P.; Im, M. -Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Fischer, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RI Fischer, Peter/A-3020-2010 OI Fischer, Peter/0000-0002-9824-9343 NR 11 TC 0 Z9 0 U1 0 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9663-8 J9 PROC SPIE PY 2013 VL 8813 AR 88132K DI 10.1117/12.2023396 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA BHH35 UT WOS:000325418700027 ER PT S AU Dinwiddie, RB Love, LJ Rowe, JC AF Dinwiddie, Ralph B. Love, Lonnie J. Rowe, John C. BE Stockton, GR Colbert, FP TI Real-time Process Monitoring and Temperature Mapping of a 3D Polymer Printing Process SO THERMOSENSE: THERMAL INFRARED APPLICATIONS XXXV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Thermosense - Thermal Infrared Applications XXXV CY APR 30-MAY 01, 2013 CL Baltimore, MD SP SPIE DE 3D Printing; Fused Deposition Modeling; Thermography; Temperature Mapping; Soda Lime Glass AB An extended-range IR camera was used to make temperature measurements of samples as they are being manufactured. The objective is to quantify the temperature variation of the parts as they are being fabricated. The IR camera was also used to map the temperature within the build volume of the oven. The development of the temperature map of the oven provides insight into the global temperature variation within the oven that may lead to understanding variations in the properties of parts as a function of build location within the oven. The observation of the temperature variation of a part during construction provides insight into how the deposition process itself creates temperature distributions, which can lead to failure. C1 [Dinwiddie, Ralph B.; Love, Lonnie J.; Rowe, John C.] Oak Ridge Natl Lab, Mfg Demonstrat Facil, Knoxville, TN 37932 USA. RP Dinwiddie, RB (reprint author), Oak Ridge Natl Lab, Mfg Demonstrat Facil, 2370 Cherahala Blvd, Knoxville, TN 37932 USA. RI Love, Lonnie/P-3010-2015 OI Love, Lonnie/0000-0002-5934-7135 NR 2 TC 1 Z9 1 U1 3 U2 17 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9496-2 J9 PROC SPIE PY 2013 VL 8705 AR 87050L DI 10.1117/12.1518454 PG 9 WC Construction & Building Technology; Optics SC Construction & Building Technology; Optics GA BGK19 UT WOS:000323287500020 ER PT S AU Dinwiddie, RB Dehoff, RR Lloyd, PD Lowe, LE Ulrich, JB AF Dinwiddie, Ralph B. Dehoff, Ryan R. Lloyd, Peter D. Lowe, Larry E. Ulrich, Joe B. BE Stockton, GR Colbert, FP TI Thermographic In-Situ Process Monitoring of the Electron Beam Melting Technology used in Additive Manufacturing SO THERMOSENSE: THERMAL INFRARED APPLICATIONS XXXV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Thermosense - Thermal Infrared Applications XXXV CY APR 30-MAY 01, 2013 CL Baltimore, MD SP SPIE DE Additive manufacturing; Electron-Beam Melting; Thermography; IR Imaging; Porosity ID COMPONENTS AB Oak Ridge National Laboratory (ORNL) has been utilizing the ARCAM electron beam melting technology to additively manufacture complex geometric structures directly from powder. Although the technology has demonstrated the ability to decrease costs, decrease manufacturing lead-time and fabricate complex structures that are impossible to fabricate through conventional processing techniques, certification of the component quality can be challenging. Because the process involves the continuous deposition of successive layers of material, each layer can be examined without destructively testing the component. However, in-situ process monitoring is difficult due to metallization on inside surfaces caused by evaporation and condensation of metal from the melt pool. This work describes a solution to one of the challenges to continuously imaging inside of the chamber during the EBM process. Here, the utilization of a continuously moving Mylar film canister is described. Results will be presented related to in-situ process monitoring and how this technique results in improved mechanical properties and reliability of the process. C1 [Dinwiddie, Ralph B.; Dehoff, Ryan R.; Lloyd, Peter D.; Lowe, Larry E.] Oak Ridge Natl Lab, Mfg Demonstrat Facil, 2370 Cherahala Blvd, Knoxville, TN 37932 USA. [Ulrich, Joe B.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. RP Dinwiddie, RB (reprint author), Oak Ridge Natl Lab, Mfg Demonstrat Facil, 2370 Cherahala Blvd, Knoxville, TN 37932 USA. EM dinwiddierb@ornl.gov RI Dehoff, Ryan/I-6735-2016 OI Dehoff, Ryan/0000-0001-9456-9633 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office [DE-AC05-00OR22725]; UT-Battelle; LLC FX Research sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 9 TC 7 Z9 7 U1 8 U2 32 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9496-2 J9 PROC SPIE PY 2013 VL 8705 AR 87050K DI 10.1117/12.2018412 PG 9 WC Construction & Building Technology; Optics SC Construction & Building Technology; Optics GA BGK19 UT WOS:000323287500019 ER PT S AU Cilento, F Dal Conte, S Coslovich, G Banfi, F Ferrini, G Eisaki, H Greven, M Damascelli, A van der Marel, D Parmigiani, F Giannetti, C AF Cilento, F. Dal Conte, S. Coslovich, G. Banfi, F. Ferrini, G. Eisaki, H. Greven, M. Damascelli, A. van der Marel, D. Parmigiani, F. Giannetti, C. GP IOP TI In search for the pairing glue in cuprates by non-equilibrium optical spectroscopy SO 10TH INTERNATIONAL CONFERENCE ON MATERIALS AND MECHANISMS OF SUPERCONDUCTIVITY (M2S-X) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 10th International Conference on Materials and Mechanisms of Superconductivity (M2S) CY JUL 29-AUG 03, 2012 CL Washington, DC SP Lawrence Berkeley Natl Lab, Adv Light Source, AF Off Sci Res, Argonne Natl Lab, Brookhaven Natl Lab, Ctr Emergent Superconductiv, Council Int Union Pure & Appl Phys, Dept Energy, Basic Energy Sci, Elsevier, Publisher Physica C Superconductiv & Applicat, ICAM 12CAM, Chinese Acad Sci, Inst Phys, Mat Res Soc, Natl Sci Fdn, Univ Houston, Texas Ctr Superconductiv, Univ Geneva, Univ Illinois Urbana Champaign, Dept Phys, Univ Illinois Urbana Champaign, Mat Res Lab ID T-C SUPERCONDUCTOR; TEMPERATURE; RELAXATION; EXCITATIONS; PSEUDOGAP; DYNAMICS AB In strongly correlated materials the electronic and optical properties are significantly affected by the coupling of fermionic quasi particles to different degrees of freedom, such as lattice vibrations and bosonic excitations of electronic origin. Broadband ultrafast spectroscopy [1,2] is emerging as the premier technique to unravel the subtle interplay between quasi particles and electronic or phononic collective excitations, by their different characteristic timescales and spectral responses. By investigating the femtosecond dynamics of the optical properties of Bi2Sr2Ca0.92Y0.08Cu2O8+delta (Y-Bi2212) crystals over the 0.5-2 eV energy range, we disentangle the electronic and phononic contributions to the generalized electron-boson Eliashberg function [3,4], showing that the spectral distribution of the electronic excitations, such as spin fluctuations and current loops, and the strength of their interaction with quasi particles can account for the high critical temperature of the superconducting phase transition [5]. Finally, we discuss how the use of this technique can be extended to the underdoped region of the phase diagram of cuprates, in which a pseudogap in the quasiparticle density of states opens. The microscopic modeling of the interaction of ultrashort light pulses with unconventional superconductors will be one of the key challenges of the next-years materials science, eventually leading to the full understanding of the role of the electronic correlations in controlling the dynamics on the femtosecond timescale. C1 [Cilento, F.; Parmigiani, F.] Sincrotrone Trieste SCpA, I-34012 Basovizza, Italy. [Dal Conte, S.; Banfi, F.; Ferrini, G.; Giannetti, C.] Univ Cattolica, ILAMP, I-25121 Brescia, Italy. [Dal Conte, S.; Banfi, F.; Ferrini, G.; Giannetti, C.] Univ Cattolica, Dept Math & Phys, I-25121 Brescia, Italy. [Coslovich, G.] Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. [Eisaki, H.] Natl Inst Adv Ind Sci & Technol, Nanoelect Res Inst, Tsukuba, Ibaraki 3058568, Japan. [Greven, M.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Damascelli, A.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Damascelli, A.] Univ British Columbia, Quantum Matter Inst, Vancouver, BC V6T 1Z4, Canada. [van der Marel, D.] Univ Geneva, Dept Phys Mat Condensee, CH-1211 Geneva, Switzerland. [Parmigiani, F.] Univ Trieste, Dept Phys, I-34127 Trieste, Italy. RP Cilento, F (reprint author), Sincrotrone Trieste SCpA, I-34012 Basovizza, Italy. EM claudio.giannetti@unicatt.it RI damascelli, andrea/P-6329-2014; Giannetti, Claudio/E-6694-2012; Banfi, Francesco/N-3104-2015; Ferrini, Gabriele/G-2395-2010; van der Marel, Dirk/G-4618-2012; OI damascelli, andrea/0000-0001-9895-2226; Giannetti, Claudio/0000-0003-2664-9492; Banfi, Francesco/0000-0002-7465-8417; Ferrini, Gabriele/0000-0002-5062-9099; van der Marel, Dirk/0000-0001-5266-9847; Parmigiani, Fulvio/0000-0001-9529-7406; Cilento, Federico/0000-0002-4121-1694 FU European Union, Seventh Framework Programme (FP7) [280555]; Italian Ministry of University and Research [FIRBRBAP045JF2, FIRB-RBAP06AWK3]; DOE [DE-AC03-76SF00515]; Killam; Sloan Foundation; CRC; NSERC's Steacie Fellowship Programs; NSERC; CFI; CIFAR Quantum Materials; BCSI; Swiss National Science Foundation [200020-130052]; MaNEP FX We acknowledge discussions and suggestions from M. Capone and A. Chubukov. C.G., S. D.C. and F.P. have received funding from the European Union, Seventh Framework Programme (FP7 2007-2013), under Grant No. 280555 (GO-FASR project). F.C., G.C., and F.P. acknowledge the support of the Italian Ministry of University and Research under Grant Nos. FIRBRBAP045JF2 and FIRB-RBAP06AWK3. The crystal growth work was performed in M.G.'s prior laboratory at Stanford University, Stanford, CA 94305, USA, and supported by DOE under Contract No. DE-AC03-76SF00515. The work at UBC was supported by the Killam, Sloan Foundation, CRC, and NSERC's Steacie Fellowship Programs (A. D.), NSERC, CFI, CIFAR Quantum Materials, and BCSI. D. v.d.M. acknowledges the support of the Swiss National Science Foundation under Grant No. 200020-130052 and MaNEP. NR 50 TC 3 Z9 3 U1 1 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 449 AR UNSP 012003 DI 10.1088/1742-6596/449/1/012003 PG 15 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BGD69 UT WOS:000322460700003 ER PT S AU James, AJA Konik, RM Huang, K Chen, WQ Rice, TM Zhang, FC AF James, A. J. A. Konik, R. M. Huang, K. Chen, W. Q. Rice, T. M. Zhang, F. C. GP IOP TI Magnetism and Superconductivity in the Pseudogap Phase of Underdoped Cuprates SO 10TH INTERNATIONAL CONFERENCE ON MATERIALS AND MECHANISMS OF SUPERCONDUCTIVITY (M2S-X) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 10th International Conference on Materials and Mechanisms of Superconductivity (M2S) CY JUL 29-AUG 03, 2012 CL Washington, DC SP Lawrence Berkeley Natl Lab, Adv Light Source, AF Off Sci Res, Argonne Natl Lab, Brookhaven Natl Lab, Ctr Emergent Superconductiv, Council Int Union Pure & Appl Phys, Dept Energy, Basic Energy Sci, Elsevier, Publisher Physica C Superconductiv & Applicat, ICAM 12CAM, Chinese Acad Sci, Inst Phys, Mat Res Soc, Natl Sci Fdn, Univ Houston, Texas Ctr Superconductiv, Univ Geneva, Univ Illinois Urbana Champaign, Dept Phys, Univ Illinois Urbana Champaign, Mat Res Lab ID COOPER PAIRS; STATE; BI2SR2CACU2O8+DELTA AB The theoretical description of the anomalous properties of the pseudogap phase in the underdoped region of the cuprate phase diagram lags behind the progress in spectroscopic and other experiments. A phenomenological ansatz, based on analogies to the approach to Mott localization at weak coupling in lower dimensional systems, for the single particle propagator in the pseudogap phase has been proposed by Yang, Rice and Zhang. This ansatz has had success in describing a range of experiments, especially spectroscopies such as ARPES and aspects of STM results. Recently this approach has been extended to successfully interpret the magnetic excitations in the spin response response. In the charge channel, d-wave cooperon excitations accompany the opening of the pseudogap and they generate an additional d-wave attraction for quasiparticles at the remnant nodal Fermi surfaces. C1 [James, A. J. A.; Konik, R. M.; Rice, T. M.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Huang, K.; Chen, W. Q.; Rice, T. M.; Zhang, F. C.] Univ Hong Kong, Dept Phys, Ctr Theoret & Computat Phys, Hong Kong, Hong Kong, Peoples R China. [Chen, W. Q.] Univ South Sci & Technol China, Dept Phys, Shenzhen, Peoples R China. [Rice, T. M.] ETH, Inst Theoret Phys, CH-8093 Zurich, Switzerland. RP James, AJA (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RI Konik, Robert/L-8076-2016; OI James, Andrew/0000-0003-3069-4579; Konik, Robert/0000-0003-1209-6890; James, Andrew/0000-0001-8454-6219 FU Center for Emergent Superconductivity; Energy Frontier Research Center - DOE Office of Science; Office of Basic Energy Science [DEAC0298CH1088]; Hong Kong RGC GRF [HKU701010]; ETH Zurich from the Swiss Nationalfond and MANEP network FX The work at Brookhaven National Lab. received support from the Center for Emergent Superconductivity, an Energy Frontier Research Center funded by the DOE Office of Science, Office of Basic Energy Science under award DEAC0298CH1088. In addition the work at Hong Kong University received support in part from Hong Kong RGC GRF grant HKU701010, and at ETH Zurich from the Swiss Nationalfond and MANEP network. NR 34 TC 2 Z9 2 U1 5 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 449 AR UNSP 012006 DI 10.1088/1742-6596/449/1/012006 PG 7 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BGD69 UT WOS:000322460700006 ER PT S AU Johnson, PD Yang, HB Rameau, JD Gu, GD Kidd, TE Claus, H Hinks, D AF Johnson, P. D. Yang, H. B. Rameau, J. D. Gu, G. D. Kidd, T. E. Claus, H. Hinks, D. GP IOP TI Photoemission Studies of the Pseudogap Regime in the High T-c Cuprate Phase Diagram SO 10TH INTERNATIONAL CONFERENCE ON MATERIALS AND MECHANISMS OF SUPERCONDUCTIVITY (M2S-X) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 10th International Conference on Materials and Mechanisms of Superconductivity (M2S) CY JUL 29-AUG 03, 2012 CL Washington, DC SP Lawrence Berkeley Natl Lab, Adv Light Source, AF Off Sci Res, Argonne Natl Lab, Brookhaven Natl Lab, Ctr Emergent Superconductiv, Council Int Union Pure & Appl Phys, Dept Energy, Basic Energy Sci, Elsevier, Publisher Physica C Superconductiv & Applicat, ICAM 12CAM, Chinese Acad Sci, Inst Phys, Mat Res Soc, Natl Sci Fdn, Univ Houston, Texas Ctr Superconductiv, Univ Geneva, Univ Illinois Urbana Champaign, Dept Phys, Univ Illinois Urbana Champaign, Mat Res Lab ID COOPER PAIRS; SUPERCONDUCTORS; STATE; BI2SR2CACU2O8+DELTA; DENSITY AB By examining thermally excited states above the Fermi level in angle resolved photoemission spectroscopy, we show that the disconnected Fermi arcs observed in the pseudogap state of the cuprate phase diagram are actually components of fully enclosed hole pockets. The spectral weight of these pockets is vanishingly small at the Luttinger surface, coincident with the antiferromagnetic zone-boundary formed by the underlying spin lattice, creating the illusion of the Fermi arcs. The area of the pockets as measured in this study is consistent with the doping level, and hence the carrier density, of the samples measured. Furthermore, the shape and area of the pockets is well reproduced by phenomenological models of the pseudogap phase that reflect its proximity to a Mott insulator. C1 [Johnson, P. D.; Yang, H. B.; Rameau, J. D.; Gu, G. D.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Kidd, T. E.] Univ Northern Iowa, Dept Phys, Iowa City, IA USA. [Claus, H.; Hinks, D.] Argonne Natl Lab, Mat Sci Div, Argonne, IL USA. RP Johnson, PD (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM pdj@lbnl.gov FU U.S. DOE [DE-AC02-98CH10886, DE-AC02-06CH11357]; Center for Emergent Superconductivity (CES); Energy Frontier Research Center - U.S. DOE; Office of Basic Energy Sciences; CES; Iowa Office of Energy Independence [09-IPF-11] FX The work at Brookhaven is supported in part by the U.S. DOE under Contract No. DE-AC02-98CH10886 and in part by the Center for Emergent Superconductivity (CES), an Energy Frontier Research Center funded by the U.S. DOE, Office of Basic Energy Sciences. The work at Argonne is partially supported by the U.S. DOE under Contract No. DE-AC02-06CH11357 and partially by the same CES. T. E. Kidd acknowledges support from the Iowa Office of Energy Independence Grant No. 09-IPF-11. NR 26 TC 0 Z9 0 U1 1 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 449 AR UNSP 012007 DI 10.1088/1742-6596/449/1/012007 PG 7 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BGD69 UT WOS:000322460700007 ER PT S AU Prozorov, R Cho, K Kim, H Tanatar, MA AF Prozorov, R. Cho, K. Kim, H. Tanatar, M. A. GP IOP TI Dome - like variation of the superconducting gap anisotropy in Fe-based superconductors SO 10TH INTERNATIONAL CONFERENCE ON MATERIALS AND MECHANISMS OF SUPERCONDUCTIVITY (M2S-X) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 10th International Conference on Materials and Mechanisms of Superconductivity (M2S) CY JUL 29-AUG 03, 2012 CL Washington, DC SP Lawrence Berkeley Natl Lab, Adv Light Source, AF Off Sci Res, Argonne Natl Lab, Brookhaven Natl Lab, Ctr Emergent Superconductiv, Council Int Union Pure & Appl Phys, Dept Energy, Basic Energy Sci, Elsevier, Publisher Physica C Superconductiv & Applicat, ICAM 12CAM, Chinese Acad Sci, Inst Phys, Mat Res Soc, Natl Sci Fdn, Univ Houston, Texas Ctr Superconductiv, Univ Geneva, Univ Illinois Urbana Champaign, Dept Phys, Univ Illinois Urbana Champaign, Mat Res Lab ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; PENETRATION DEPTH; STATE AB Experiments performed on different iron - based superconductors suggest a variety of possible structures of the superconducting energy gap, both nodeless and nodal. To understand the pairing mechanisms, it is important to identify common features in the behavior of different materials. Measurements of the temperature - dependent London penetration depth provide important information on the structure of the superconducting gap. We show that despite significant differences between different iron - based superconductors, there is a universal trend: the gap is least anisotropic at the optimal doping and its anisotropy increases upon the departure towards underdoped and overdoped ends of the "superconducting dome". This trend is not related to the presence of the long - range magnetic order in the underdoped state. C1 [Prozorov, R.; Cho, K.; Kim, H.; Tanatar, M. A.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Prozorov, R (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM prozorov@ameslab.gov FU U.S. Department of Energy; Office of Basic Energy Sciences; Division of Materials Sciences and Engineering [DE-AC02-07CH11358] FX Work at the Ames Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under contract No. DE-AC02-07CH11358. NR 48 TC 4 Z9 4 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 449 AR UNSP 012020 DI 10.1088/1742-6596/449/1/012020 PG 5 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BGD69 UT WOS:000322460700020 ER PT S AU Sacuto, A Benhabib, S Gallais, Y Blanc, S Cazayous, M Measson, MA Wen, JS Xu, ZJ Gu, GD AF Sacuto, A. Benhabib, S. Gallais, Y. Blanc, S. Cazayous, M. Measson, M. -A. Wen, J. S. Xu, Z. J. Gu, G. D. GP IOP TI Pseusogap in Cuprates by Electronic Raman Scattering SO 10TH INTERNATIONAL CONFERENCE ON MATERIALS AND MECHANISMS OF SUPERCONDUCTIVITY (M2S-X) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 10th International Conference on Materials and Mechanisms of Superconductivity (M2S) CY JUL 29-AUG 03, 2012 CL Washington, DC SP Lawrence Berkeley Natl Lab, Adv Light Source, AF Off Sci Res, Argonne Natl Lab, Brookhaven Natl Lab, Ctr Emergent Superconductiv, Council Int Union Pure & Appl Phys, Dept Energy, Basic Energy Sci, Elsevier, Publisher Physica C Superconductiv & Applicat, ICAM 12CAM, Chinese Acad Sci, Inst Phys, Mat Res Soc, Natl Sci Fdn, Univ Houston, Texas Ctr Superconductiv, Univ Geneva, Univ Illinois Urbana Champaign, Dept Phys, Univ Illinois Urbana Champaign, Mat Res Lab ID T-C SUPERCONDUCTORS; PHASE-DIAGRAM; COOPER PAIRS; NORMAL-STATE; PSEUDOGAP; GAP; BI2SR2CACU2O8+DELTA; TEMPERATURE; YBA2CU3O6+X; EVOLUTION AB We present Raman experiments on underdoped and overdoped Bi2Sr2CaCu2O8+delta (Bi-2212) single crystals. We reveal the pseudogap in the electronic Raman spectra in the B-1g and B-2g geometries. In these geometries we probe respectively, the antinodal (AN) and nodal (N) regions corresponding to the principal axes and the diagonal of the Brillouin zone. The pseudogap appears in underdoped regime and manifests itself in the B-1g spectra by a strong depletion of the low energy electronic continuum as the temperature decreases. We define a temperature T* below which the depletion appears and the pseudogap energy, omega(PG) the energy at which the depeletion closes. The pseudogap is also present in the B-2g spectra but the depletion opens at higher energy than in the B-1g spectra. We observe the creation of new electronic states inside the depletion as we enter the superconducting phase. This leads us to conclude (as proposed by S. Sakai et al. [1]) that the pseudogap has a different structure than the superconducting gap and competes with it. We show that the nodal quasiparticle dynamic is very robust and almost insensitive to the pseudogap phase contrary to the antinodal quasiparticle dynamic. We finally reveal, in contrast to what it is usually admitted, an increase of the nodal quasiparticle spectral weight with underdoping. We interpret this result as the consequence of a possible Fermi surface disturbances in the doping range p = 0.1 - 0.2. C1 [Sacuto, A.; Benhabib, S.; Gallais, Y.; Blanc, S.; Cazayous, M.; Measson, M. -A.] Univ Paris 07, CNRS, Lab Mat & Phenomenes Quant, UMR 7162, Bat Condorcet, F-75205 Paris 13, France. [Wen, J. S.; Xu, Z. J.; Gu, G. D.] Brookhaven Natl Lab, Matter Phys & Mat Sci, Upton, NY 11973 USA. RP Sacuto, A (reprint author), Univ Paris 07, CNRS, Lab Mat & Phenomenes Quant, UMR 7162, Bat Condorcet, F-75205 Paris 13, France. EM alain.sacuto@univ-paris-diderot.fr RI Gallais, Yann/E-5240-2011; xu, zhijun/A-3264-2013; Measson, Marie-aude/E-6388-2015; Sacuto, Alain/L-2620-2016 OI Gallais, Yann/0000-0002-0589-1522; xu, zhijun/0000-0001-7486-2015; Measson, Marie-aude/0000-0002-6495-7376; Sacuto, Alain/0000-0002-8351-6154 NR 51 TC 5 Z9 5 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 449 AR UNSP 012011 DI 10.1088/1742-6596/449/1/012011 PG 12 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BGD69 UT WOS:000322460700011 ER PT S AU Wray, LA Xu, S Neupane, M Fedorov, AV Hor, YS Cava, RJ Hasan, MZ AF Wray, L. A. Xu, S. Neupane, M. Fedorov, A. V. Hor, Y. S. Cava, R. J. Hasan, M. Z. GP IOP TI Chemically gated electronic structure of a superconducting doped topological insulator system SO 10TH INTERNATIONAL CONFERENCE ON MATERIALS AND MECHANISMS OF SUPERCONDUCTIVITY (M2S-X) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 10th International Conference on Materials and Mechanisms of Superconductivity (M2S) CY JUL 29-AUG 03, 2012 CL Washington, DC SP Lawrence Berkeley Natl Lab, Adv Light Source, AF Off Sci Res, Argonne Natl Lab, Brookhaven Natl Lab, Ctr Emergent Superconductiv, Council Int Union Pure & Appl Phys, Dept Energy, Basic Energy Sci, Elsevier, Publisher Physica C Superconductiv & Applicat, ICAM 12CAM, Chinese Acad Sci, Inst Phys, Mat Res Soc, Natl Sci Fdn, Univ Houston, Texas Ctr Superconductiv, Univ Geneva, Univ Illinois Urbana Champaign, Dept Phys, Univ Illinois Urbana Champaign, Mat Res Lab ID SURFACE; ORDER AB Angle resolved photoemission spectroscopy is used to observe changes in the electronic structure of bulk-doped topological insulator CuxBi2Se3 as additional copper atoms are deposited onto the cleaved crystal surface. Carrier density and surface-normal electrical field strength near the crystal surface are estimated to consider the effect of chemical surface gating on atypical superconducting properties associated with topological insulator order, such as the dynamics of theoretically predicted Majorana Fermion vortices. C1 [Wray, L. A.; Fedorov, A. V.] Lawrence Berkeley Natl Lab, Adv Light Source, Stanford, CA 94305 USA. [Wray, L. A.; Xu, S.; Neupane, M.; Hasan, M. Z.] Princeton Univ, Dept Phys, Joseph Henry Labs, Princeton, NJ 08544 USA. [Hor, Y. S.] Missouri Univ Sci &Technol, Dept Phys, Rolla, MO 65409 USA. [Hor, Y. S.; Cava, R. J.] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. RP Wray, LA (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, Stanford, CA 94305 USA. FU Basic Energy Sciences of the US DOE [DE-FG-02-05ER46200, AC03-76SF00098, DE FG02-07ER46352] FX The synchrotron X-ray-based measurements are supported by the Basic Energy Sciences of the US DOE (DE-FG-02-05ER46200, AC03-76SF00098 and DE FG02-07ER46352). NR 25 TC 4 Z9 4 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 449 AR UNSP 012037 DI 10.1088/1742-6596/449/1/012037 PG 5 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BGD69 UT WOS:000322460700037 ER PT S AU Wysocki, AL Belashchenko, KD Ke, L van Schilfgaarde, M Antropov, VP AF Wysocki, A. L. Belashchenko, K. D. Ke, L. van Schilfgaarde, M. Antropov, V. P. GP IOP TI Biquadratic magnetic interaction in parent ferropnictides SO 10TH INTERNATIONAL CONFERENCE ON MATERIALS AND MECHANISMS OF SUPERCONDUCTIVITY (M2S-X) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 10th International Conference on Materials and Mechanisms of Superconductivity (M2S) CY JUL 29-AUG 03, 2012 CL Washington, DC SP Lawrence Berkeley Natl Lab, Adv Light Source, AF Off Sci Res, Argonne Natl Lab, Brookhaven Natl Lab, Ctr Emergent Superconductiv, Council Int Union Pure & Appl Phys, Dept Energy, Basic Energy Sci, Elsevier, Publisher Physica C Superconductiv & Applicat, ICAM 12CAM, Chinese Acad Sci, Inst Phys, Mat Res Soc, Natl Sci Fdn, Univ Houston, Texas Ctr Superconductiv, Univ Geneva, Univ Illinois Urbana Champaign, Dept Phys, Univ Illinois Urbana Champaign, Mat Res Lab ID MODEL; TRANSITION AB We discuss an effective spin Hamiltonian with biquadratic interaction for ferropnictide superconductors from the point of view of band structure theory and available experimental data. This model is consistent with electronic structure calculations and captures many observed magnetic properties, including the anisotropy of the exchange coupling, thin domain walls, and the crossover from first to second-order phase transition under doping. The parameters of the model are analyzed as a function of the local spin moment using first-principles calculations. Calculations show the biquadratic coupling is negative in stoichiometric KFe2Se2, and the phase diagram is extended into this region. We also consider magnetic short-range order and discuss the limitations of this model in comparison with experiment. C1 [Wysocki, A. L.; Belashchenko, K. D.] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. [Wysocki, A. L.] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. [Ke, L.; Antropov, V. P.] Ames Lab, Ames, IA 50011 USA. [van Schilfgaarde, M.] Kings Coll London, Dept Phys, London WC2R 2LS, England. RP Wysocki, AL (reprint author), Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. RI Belashchenko, Kirill/A-9744-2008 OI Belashchenko, Kirill/0000-0002-8518-1490 FU NSF [DMR-1005642, EPS-1010674]; Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358] FX We are grateful to P. Dai and I. Eremin for useful discussions. Work at UNL was supported by NSF DMR-1005642 and EPS-1010674. Work at Ames Laboratory was supported by Department of Energy-Basic Energy Sciences, under Contract No. DE-AC02-07CH11358. K. B. is a Cottrell Scholar of Research Corporation. NR 46 TC 5 Z9 5 U1 2 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 449 AR UNSP 012024 DI 10.1088/1742-6596/449/1/012024 PG 12 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BGD69 UT WOS:000322460700024 ER PT S AU DasGupta, S Biedermann, L Sun, M Kaplar, RJ Marinella, MJ Zavadil, K Atcitty, S Palacios, T AF DasGupta, S. Biedermann, L. Sun, M. Kaplar, R. J. Marinella, M. J. Zavadil, K. Atcitty, S. Palacios, T. GP IEEE TI Influence of Barrier Design on Current Collapse in High Voltage AlGaN/GaN HEMTs SO 2013 IEEE INTERNATIONAL RELIABILITY PHYSICS SYMPOSIUM (IRPS) SE International Reliability Physics Symposium LA English DT Proceedings Paper CT IEEE International Reliability Physics Symposium (IRPS) CY APR 14-18, 2013 CL Anaheim, CA SP IEEE, Texas Instruments, Cisco Syst, Cadence, Hitachi, IBM, Intel, Mentor Graph, Samsung DE Galium Nitride; Power HEMT; Kelvin Force Microscopy; Trapping ID SURFACE-POTENTIAL MEASUREMENTS; ELECTRON-MOBILITY TRANSISTORS; KELVIN PROBE MICROSCOPY; FORCE MICROSCOPY; GAN DHFETS; HFETS; POWER; SUBSTRATE; CONVERTER; IMPACT AB Simultaneous measurements of surface potential and drain current detrapping transients in AlGaN/GaN HEMTs, performed on devices with two different epitaxial structures, show that the predominant location of charge trapping is affected more strongly by device design than by surface passivation or buffer defects. Experiments also show that AlGaN traps dominate current collapse in devices with thick AlGaN barrier layers. C1 [DasGupta, S.; Biedermann, L.; Sun, M.; Kaplar, R. J.; Marinella, M. J.; Zavadil, K.; Atcitty, S.; Palacios, T.] Sandia Natl Labs, Albuquerque, NM 87111 USA. [DasGupta, S.; Biedermann, L.; Sun, M.; Kaplar, R. J.; Marinella, M. J.; Zavadil, K.; Atcitty, S.; Palacios, T.] MIT, Cambridge, MA 02139 USA. RP DasGupta, S (reprint author), Sandia Natl Labs, Albuquerque, NM 87111 USA. EM sdasgup@sandia.gov; minsun@mit.edu FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC0494AL85000]; GIGA program; Soboroff of the DOE; Office of Electricity Delivery and Energy Reliability 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 U.S. Department of Energys National Nuclear Security Administration under contract DE-AC0494AL85000. This work was performed under funding from the GIGA program managed by Dr. Mike Soboroff of the DOE Office of Electricity Delivery and Energy Reliability NR 28 TC 0 Z9 0 U1 0 U2 6 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1541-7026 BN 978-1-4799-0113-5; 978-1-4799-0112-8 J9 INT RELIAB PHY SYM PY 2013 PG 6 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA BHD78 UT WOS:000325097500046 ER PT S AU Hacke, P Smith, R Terwilliger, K Glick, S Jordan, D Johnston, S Kempe, M Kurtz, S AF Hacke, Peter Smith, Ryan Terwilliger, Kent Glick, Stephen Jordan, Dirk Johnston, Steve Kempe, Michael Kurtz, Sarah GP IEEE TI Acceleration Factor Determination for Potential-Induced Degradation in Crystalline Silicon PV Modules SO 2013 IEEE INTERNATIONAL RELIABILITY PHYSICS SYMPOSIUM (IRPS) SE International Reliability Physics Symposium LA English DT Proceedings Paper CT IEEE International Reliability Physics Symposium (IRPS) CY APR 14-18, 2013 CL Anaheim, CA SP IEEE, Texas Instruments, Cisco Syst, Cadence, Hitachi, IBM, Intel, Mentor Graph, Samsung DE Degradation; Photovoltaic systems; Photovoltaic cells; Reliability; High-voltage techniques; Current-voltage characteristics ID SOLAR-CELLS; FAILURE AB Potential-induced degradation in conventional p-type silicon-based photovoltaic solar cell modules is described as a failure mechanism involving positive ion migration, understood to be primarily Na+, drifting from the glass to the cells in. negative-voltage arrays. Acceleration factors for this mechanism are determined for silicon photovoltaic modules by comparing the module power during degradation outdoors to that in accelerated testing at three temperatures and 85% relative humidity. A lognormal analysis is applied to the accelerated lifetime test data considering failure at 80% of the initial module power. Activation energy of 0.73 eV for the rate of failure is determined for the chamber testing at the constant relative humidity, and the probability of module failure at an arbitrary temperature is predicted. Estimation of module power in-situ in the environmental chamber is achieved using dark I-V measurements transformed by superposition. By this means, the power of the degrading module can be semi-continuously determined so that statistical data for multiple modules undergoing potential-induced degradation can be easily and accurately obtained. C1 [Hacke, Peter; Smith, Ryan; Terwilliger, Kent; Glick, Stephen; Jordan, Dirk; Johnston, Steve; Kempe, Michael; Kurtz, Sarah] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Hacke, P (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM peter.hacke@nrel.gov NR 14 TC 0 Z9 0 U1 1 U2 5 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1541-7026 BN 978-1-4799-0113-5; 978-1-4799-0112-8 J9 INT RELIAB PHY SYM PY 2013 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA BHD78 UT WOS:000325097500069 ER PT S AU Yang, BB Cruz-Campa, JL Haase, GS Tangyunyong, P Cole, EI Pimentel, AA Resnick, PJ Okandan, M Nielson, GN AF Yang, Benjamin B. Cruz-Campa, Jose L. Haase, Gaddi S. Tangyunyong, Paiboon Cole, Edward I., Jr. Pimentel, Alejandro A. Resnick, Paul J. Okandan, Murat Nielson, Gregory N. GP IEEE TI Fault Localization and Failure Modes in Microsystems-Enabled Photovoltaic Devices SO 2013 IEEE INTERNATIONAL RELIABILITY PHYSICS SYMPOSIUM (IRPS) SE International Reliability Physics Symposium LA English DT Proceedings Paper CT IEEE International Reliability Physics Symposium (IRPS) CY APR 14-18, 2013 CL Anaheim, CA SP IEEE, Texas Instruments, Cisco Syst, Cadence, Hitachi, IBM, Intel, Mentor Graph, Samsung DE microsystems-enabled photovoltaics; reliability; failure analysis AB Microsystems-enabled photovoltaic (MEPV) technology is a promising approach to lower the cost of solar energy to competitive levels. This paper describes current development efforts to leverage existing silicon integrated circuit (IC) failure analysis (FA) techniques to study MEPV devices. Various FA techniques such as light emission microscopy and laser-based fault localization were used to identify and characterize primary failure modes after fabrication and packaging. The FA results provide crucial information used in provide corrective actions and improve existing MEPV fabrication techniques. C1 [Yang, Benjamin B.; Cruz-Campa, Jose L.; Haase, Gaddi S.; Tangyunyong, Paiboon; Cole, Edward I., Jr.; Pimentel, Alejandro A.; Resnick, Paul J.; Okandan, Murat; Nielson, Gregory N.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Yang, BB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM bbyang@sandia.gov NR 4 TC 0 Z9 0 U1 0 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1541-7026 BN 978-1-4799-0113-5 J9 INT RELIAB PHY SYM PY 2013 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA BHD78 UT WOS:000325097500070 ER PT S AU Hendry, G AF Hendry, Gilbert GP IEEE TI The Role of Optical Links in HPC System Interconnects SO 2013 IEEE OPTICAL INTERCONNECTS CONFERENCE SE Optical Interconnects Conference LA English DT Proceedings Paper CT 2nd IEEE-Photonics-Society Optical Interconnects Conference CY MAY 05-08, 2013 CL Santa Fe, NM SP IEEE Photon Soc, Oracle, U S Dept Energy, Off Sci AB As high-performance scientific computing continues to advance to higher degrees of parallel computing power, the system interconnect becomes a more critical performance-related resource. Optical links have been used strategically to reduce cost per performance in HPC system interconnects for the past decade. In this paper, we explore the performance implications of optical link performance on scientific applications in leading network designs, placing optical signaling technology in the context of its usefulness to HPC system interconnects. C1 Sandia Natl Labs, Livermore, CA USA. RP Hendry, G (reprint author), Sandia Natl Labs, Livermore, CA USA. EM ghendry@sandia.gov NR 13 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-8665 BN 978-1-4673-5063-1; 978-1-4673-5061-7 J9 OPT INTERCONNECT C PY 2013 BP 5 EP 6 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BHE82 UT WOS:000325206200003 ER PT S AU Serkland, DK Keeler, GA Geib, KM Peake, GM AF Serkland, Darwin K. Keeler, Gordon A. Geib, Kent M. Peake, Gregory M. GP IEEE TI Low-Power VCSEL-Based Optical Interconnects SO 2013 IEEE OPTICAL INTERCONNECTS CONFERENCE SE Optical Interconnects Conference LA English DT Proceedings Paper CT 2nd IEEE-Photonics-Society Optical Interconnects Conference CY MAY 05-08, 2013 CL Santa Fe, NM SP IEEE Photon Soc, Oracle, U S Dept Energy, Off Sci AB The energy-per-bit consumption of VCSEL-based optical interconnects has fallen steadily over the years. The basis for continuing this trend will be discussed by examining improvements in component technologies: VCSELs, photodiodes, and integrated circuits. C1 [Serkland, Darwin K.; Keeler, Gordon A.; Geib, Kent M.; Peake, Gregory M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Serkland, DK (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM DKSERKL@sandia.gov NR 5 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-8665 BN 978-1-4673-5063-1; 978-1-4673-5061-7 J9 OPT INTERCONNECT C PY 2013 BP 7 EP 8 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BHE82 UT WOS:000325206200004 ER PT S AU Cox, JA Trotter, DC Starbuck, AL AF Cox, Jonathan A. Trotter, D. C. Starbuck, Andrew L. GP IEEE TI Integrated control of silicon-photonic micro-resonator wavelength via balanced homodyne locking SO 2013 IEEE OPTICAL INTERCONNECTS CONFERENCE SE Optical Interconnects Conference LA English DT Proceedings Paper CT 2nd IEEE-Photonics-Society Optical Interconnects Conference CY MAY 05-08, 2013 CL Santa Fe, NM SP IEEE Photon Soc, Oracle, U S Dept Energy, Off Sci ID FEEDBACK; CHIP AB We present a new method for active control of optical micro-resonator modulator and filter wavelength that is insensitive to environmental and optical perturbations and readily integrated on-chip. Experimental results demonstrating precise, long-term filter locking are shown. C1 [Cox, Jonathan A.; Trotter, D. C.; Starbuck, Andrew L.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Cox, JA (reprint author), Sandia Natl Labs, 1515 Eubank SE, Albuquerque, NM 87123 USA. EM jacox@sandia.gov NR 10 TC 6 Z9 6 U1 0 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-8665 BN 978-1-4673-5063-1; 978-1-4673-5061-7 J9 OPT INTERCONNECT C PY 2013 BP 52 EP 53 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BHE82 UT WOS:000325206200026 ER PT S AU Jones, AM DeRose, CT Lentine, AL Trotter, DC Starbuck, A Norwood, RA AF Jones, Adam M. DeRose, Christopher T. Lentine, Anthony L. Trotter, Douglas C. Starbuck, Andrew Norwood, Robert A. GP IEEE TI Layer Separation Optimization in CMOS Compatible Multilayer Optical Networks SO 2013 IEEE OPTICAL INTERCONNECTS CONFERENCE SE Optical Interconnects Conference LA English DT Proceedings Paper CT 2nd IEEE-Photonics-Society Optical Interconnects Conference CY MAY 05-08, 2013 CL Santa Fe, NM SP IEEE Photon Soc, Oracle, U S Dept Energy, Off Sci AB We explore the design space surrounding a CMOS compatible silicon nitride over silicon- on- insulator 3D optical layer for photonic interconnection networks and compare the results with single layer approaches. C1 [Jones, Adam M.; DeRose, Christopher T.; Lentine, Anthony L.; Trotter, Douglas C.; Starbuck, Andrew] Sandia Natl Labs, Livermore, CA 94550 USA. [Jones, Adam M.; Norwood, Robert A.] Univ Arizona, Tucson, AZ 85721 USA. RP Jones, AM (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM adajone@sandia.gov NR 9 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-8665 BN 978-1-4673-5063-1; 978-1-4673-5061-7 J9 OPT INTERCONNECT C PY 2013 BP 62 EP + PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BHE82 UT WOS:000325206200031 ER PT S AU Lentine, AL Kekatpure, RD AF Lentine, Anthony. L. Kekatpure, Rohan. D. GP IEEE TI Evaluation of SiGe multiple quantum well modulators for short-reach, dense wavelength division multiplexed optical interconnects SO 2013 IEEE OPTICAL INTERCONNECTS CONFERENCE SE Optical Interconnects Conference LA English DT Proceedings Paper CT 2nd IEEE-Photonics-Society Optical Interconnects Conference CY MAY 05-08, 2013 CL Santa Fe, NM SP IEEE Photon Soc, Oracle, U S Dept Energy, Off Sci ID SILICON AB By modeling temperature-dependent SiGe MQW electroabsorption, we calculate the number of allowed DWDM channels as a function of operating temperature, applied voltage, and a figure of merit related to the laser power penalty. We find that 20 to 40 DWDM channels at 100 GHz and 50 GHz channel spacing is possible in DWDM links with a similar to 12 degrees temperature range with less than a 1 dB laser power penalty compared to the optimum single channel, single temperature case. The same number of channels can be supported over a 37 degrees temperature range with a 3 dB power penalty. C1 [Lentine, Anthony. L.; Kekatpure, Rohan. D.] Sandia Natl Labs, Albuquerque, NM USA. RP Lentine, AL (reprint author), Sandia Natl Labs, POB 5800 MS 1082, Albuquerque, NM USA. EM allenti@sandia.gov; rdkekat@sandia.gov NR 6 TC 0 Z9 0 U1 0 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-8665 BN 978-1-4673-5063-1; 978-1-4673-5061-7 J9 OPT INTERCONNECT C PY 2013 BP 94 EP 95 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BHE82 UT WOS:000325206200046 ER PT B AU Hagmann, MJ Yarotski, DA AF Hagmann, M. J. Yarotski, D. A. GP IEEE TI Scanning Frequency Comb Microscopy: A New Method for Sub-nm 3-D Dopant Profiling SO 2013 IEEE WORKSHOP ON MICROELECTRONICS AND ELECTRON DEVICES (WMED) LA English DT Proceedings Paper CT IEEE Workshop on Microelectronics and Electron Devices (WMED) CY APR 12, 2013 CL IEEE Electron Devices Soc, Boise Chapter, Boise, ID SP IEEE, IEEE Electron Devices Soc, Micron Fdn, SpecTek, Kokusai Semicond Equipment Corp, Synopsys, Intel, Agilent Technologies, Univ Idaho, Coll Engn, Appl Mat, Boise State Univ HO IEEE Electron Devices Soc, Boise Chapter C1 [Hagmann, M. J.] NewPath Res LLC, Salt Lake City, UT 84115 USA. [Yarotski, D. A.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Hagmann, MJ (reprint author), NewPath Res LLC, Salt Lake City, UT 84115 USA. FU U.S. Department of Energy [DE-SC0006339]; National Science Foundation FX We acknowledge support from the U.S. Department of Energy under Award No. DE-SC0006339 and the National Science Foundation. NR 0 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4577-1738-3; 978-1-4577-1736-9 PY 2013 BP 32 EP 32 PG 1 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology SC Engineering; Science & Technology - Other Topics GA BHF15 UT WOS:000325216600022 ER PT S AU Shenai, K AF Shenai, Krishna GP IEEE TI Accurate Design of High-Performance Synchronous Buck DC-DC Power Converters SO 2013 TWENTY-EIGHTH ANNUAL IEEE APPLIED POWER ELECTRONICS CONFERENCE AND EXPOSITION (APEC 2013) SE Annual IEEE Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 28th Annual IEEE Applied Power Electronics Conference and Exposition ()APEC) CY MAR 17-21, 2013 CL Long Beach, CA SP IEEE, Power Sources Manufacturers Assoc, IEEE Power Elect Soc, IEEE Ind Applicat Soc ID TECHNOLOGIES AB Accurate power loss calculations are presented for a synchronous buck DC-DC power converter based on simple physics-based circuit models for the switch and inductor. The converter design is shown to be optimized for different die sizes of the high-side and low-side power switches; this design feature becomes important at increased switching frequencies. It is further shown that conventional power loss formulations are in error as they do not accurately calculate the switching power losses. A new figure-of-merit (FOM) is proposed to assess the performance of emerging high-performance power semiconductor switch technologies, especially for low-voltage point-of-load (POL) DC-DC power converters that utilize scaled silicon power MOSFETs and emerging Gallium Nitride (GaN) power transistors. C1 Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Shenai, K (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 South Cass Ave,Bldg 362, Argonne, IL 60439 USA. EM kshenai@anl.gov NR 13 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1048-2334 BN 978-1-4673-4355-8 J9 APPL POWER ELECT CO PY 2013 BP 435 EP 438 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA BHC65 UT WOS:000324988600069 ER PT S AU Xiao, BL Hang, LJ Riley, C Tolbert, LM Ozpineci, B AF Xiao, Bailu Hang, Lijun Riley, Cameron Tolbert, Leon M. Ozpineci, Burak GP IEEE TI Three-Phase Modular Cascaded H-Bridge Multilevel Inverter with Individual MPPT for Grid-Connected Photovoltaic Systems SO 2013 TWENTY-EIGHTH ANNUAL IEEE APPLIED POWER ELECTRONICS CONFERENCE AND EXPOSITION (APEC 2013) SE Annual IEEE Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 28th Annual IEEE Applied Power Electronics Conference and Exposition (APEC) CY MAR 17-21, 2013 CL Long Beach, CA SP IEEE, Power Sources Manufacturers Assoc, IEEE Power Elect Soc, IEEE Ind Applicat Soc AB A three-phase modular cascaded H-bridge multilevel inverter for a grid-connected photovoltaic (PV) system is presented in this paper. To maximize the solar energy extraction of each PV string, an individual maximum power point tracking (MPPT) control scheme is applied, which allows the independent control of each dc-link voltage. PV mismatches may introduce unbalanced power supplied to the three-phase system. To solve this issue, a control scheme with modulation compensation is proposed. The three-phase modular cascaded multilevel inverter prototype has been built. Each H-bridge is connected to a 185 W solar panel. Simulation and experimental results are presented to validate the proposed ideas. C1 [Xiao, Bailu; Hang, Lijun; Riley, Cameron; Tolbert, Leon M.] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Tolbert, Leon M.; Ozpineci, Burak] Oak Ridge Natl Lab, Power Elect & Elect Machinery Grp, Oak Ridge, TN USA. RP Xiao, BL (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. OI Tolbert, Leon/0000-0002-7285-609X FU Department of Energy SEGIS Program [DE-EE0005342]; Engineering Research Center Program of the National Science Foundation; DOE under NSF [EEC-1041877]; CURENT Industry Partnership Program FX This work is supported by Department of Energy SEGIS Program under Award Number DE-EE0005342 to Delphi Automotive. It also made use of Engineering Research Center Shared Facilities supported by the Engineering Research Center Program of the National Science Foundation and DOE under NSF Award Number EEC-1041877 and the CURENT Industry Partnership Program. NR 16 TC 13 Z9 13 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1048-2334 BN 978-1-4673-4355-8; 978-1-4673-4354-1 J9 APPL POWER ELECT CO PY 2013 BP 468 EP 474 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA BHC65 UT WOS:000324988600074 ER PT S AU Wang, ZQ Shi, XJ Tolbert, LM Blalock, BJ Chinthavali, M AF Wang, Zhiqiang Shi, Xiaojie Tolbert, Leon M. Blalock, Benjamin J. Chinthavali, Madhu GP IEEE TI A Fast Overcurrent Protection Scheme for IGBT Modules Through Dynamic Fault Current Evaluation SO 2013 TWENTY-EIGHTH ANNUAL IEEE APPLIED POWER ELECTRONICS CONFERENCE AND EXPOSITION (APEC 2013) SE Annual IEEE Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 28th Annual IEEE Applied Power Electronics Conference and Exposition (APEC) CY MAR 17-21, 2013 CL Long Beach, CA SP IEEE, Power Sources Manufacturers Assoc, IEEE Power Elect Soc, IEEE Ind Applicat Soc ID SHORT-CIRCUIT PROTECTION AB This paper presents a new active overcurrent protection scheme for IGBT modules based on the evaluation of fault current level by measuring the induced voltage across the stray inductance between the Kelvin emitter and power emitter of IGBT modules. Compared with the commonly used desaturation protection, it provides a fast and reliable detection of fault current without any blanking time. Once a short circuit is detected, a current limiting and clamping function is activated to dynamically suppress the transient peak current, thus reducing the considerable energetic and thermal stresses induced upon the power device. Subsequently, a soft turn-off mechanism is employed aiming to reduce surge voltages induced by stray inductance under high current falling rate. Moreover, the proposed method provides flexible protection modes, which overcome the interruption of converter operation in the event of momentary short circuits. The feasibility and effectiveness of the proposed approach have been validated by simulation results with real component models in Saber. A Double Pulse Tester (DPT) based experimental test setup further verifies the proposed protection scheme. C1 [Wang, Zhiqiang; Shi, Xiaojie; Tolbert, Leon M.; Blalock, Benjamin J.] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Tolbert, Leon M.; Chinthavali, Madhu] Oak Ridge Natl Lab, Power Elect & Elect Machinery Res Grp, Oak Ridge, TN 37831 USA. RP Wang, ZQ (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. EM tolbert@utk.edu; chinthavalim@ornl.gov OI Tolbert, Leon/0000-0002-7285-609X FU II-IV Foundation; Oak Ridge National Laboratory under the U.S. Department of Energy's Vehicle Technologies Program; Engineering Research Center Program of the National Science Foundation; DOE under NSF [EEC-1041877]; CURENT Industry Partnership Program FX This work was partially funded by the II-IV Foundation and Oak Ridge National Laboratory under the U.S. Department of Energys Vehicle Technologies Program. This work made use of Engineering Research Center Shared Facilities supported by the Engineering Research Center Program of the National Science Foundation and DOE under NSF Award Number EEC-1041877 and the CURENT Industry Partnership Program. NR 15 TC 9 Z9 9 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1048-2334 BN 978-1-4673-4355-8; 978-1-4673-4354-1 J9 APPL POWER ELECT CO PY 2013 BP 577 EP 583 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA BHC65 UT WOS:000324988600091 ER PT S AU Ning, PQ Liang, ZX Wang, F AF Ning, Puqi Liang, Zhenxian Wang, Fei GP IEEE TI Double-Sided Cooling Design for Novel Planar Module SO 2013 TWENTY-EIGHTH ANNUAL IEEE APPLIED POWER ELECTRONICS CONFERENCE AND EXPOSITION (APEC 2013) SE Annual IEEE Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 28th Annual IEEE Applied Power Electronics Conference and Exposition (APEC) CY MAR 17-21, 2013 CL Long Beach, CA SP IEEE, Power Sources Manufacturers Assoc, IEEE Power Elect Soc, IEEE Ind Applicat Soc AB A novel packaging structure for medium power modules featuring power semiconductor switches sandwiched between two symmetric substrates that fulfill electrical conduction and insulation functions is presented. Large bonding areas between dies and substrates allow this packaging technology to offer significant improvements in electrical, thermal performance. Double-sided cooling system was dedicatedly analyzed and designed for different applications. C1 [Ning, Puqi; Liang, Zhenxian] Oak Ridge Natl Lab, Energy & Environm Sci Directorate, Oak Ridge, TN 37830 USA. [Wang, Fei] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN USA. RP Ning, PQ (reprint author), Oak Ridge Natl Lab, Energy & Environm Sci Directorate, Oak Ridge, TN 37830 USA. OI Liang, Zhenxian/0000-0002-2811-0944 FU U.S. Department of Energy [DE-AC05-00OR22725] FX This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. The U.S. government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non exclusive, paid-up irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. government purposes. NR 13 TC 4 Z9 4 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1048-2334 BN 978-1-4673-4355-8; 978-1-4673-4354-1 J9 APPL POWER ELECT CO PY 2013 BP 616 EP 621 PG 6 WC Engineering, Electrical & Electronic SC Engineering GA BHC65 UT WOS:000324988600097 ER PT S AU Ning, P Miller, JM Onar, OC White, CP Marlino, LD AF Ning, Puqi Miller, John M. Onar, Omer C. White, Clifford P. Marlino, Laura D. GP IEEE TI A Compact Wireless Charging System Development SO 2013 TWENTY-EIGHTH ANNUAL IEEE APPLIED POWER ELECTRONICS CONFERENCE AND EXPOSITION (APEC 2013) SE Annual IEEE Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 28th Annual IEEE Applied Power Electronics Conference and Exposition ()APEC) CY MAR 17-21, 2013 CL Long Beach, CA SP IEEE, Power Sources Manufacturers Assoc, IEEE Power Elect Soc, IEEE Ind Applicat Soc AB In this paper, a high power density high efficiency wireless power transfer converter system via inductive coupling has been designed and developed. The detailed gate drive design, cooling system design and power stage development are presented. C1 [Ning, Puqi; Miller, John M.; Onar, Omer C.; White, Clifford P.; Marlino, Laura D.] Oak Ridge Natl Lab, Energy & Environm Sci Directorate, Knoxville, TN USA. RP Ning, PQ (reprint author), Oak Ridge Natl Lab, Energy & Environm Sci Directorate, Knoxville, TN USA. NR 15 TC 11 Z9 12 U1 0 U2 5 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1048-2334 BN 978-1-4673-4355-8 J9 APPL POWER ELECT CO PY 2013 BP 3045 EP 3050 PG 6 WC Engineering, Electrical & Electronic SC Engineering GA BHC65 UT WOS:000324988603029 ER PT S AU Onar, OC Miller, JM Campbell, SL Coomer, C White, CP Seiber, LE AF Onar, Omer C. Miller, John M. Campbell, Steven L. Coomer, Chester White, Cliff. P. Seiber, Larry E. GP IEEE TI A Novel Wireless Power Transfer for In-Motion EV/PHEV Charging SO 2013 TWENTY-EIGHTH ANNUAL IEEE APPLIED POWER ELECTRONICS CONFERENCE AND EXPOSITION (APEC 2013) SE Annual IEEE Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 28th Annual IEEE Applied Power Electronics Conference and Exposition ()APEC) CY MAR 17-21, 2013 CL Long Beach, CA SP IEEE, Power Sources Manufacturers Assoc, IEEE Power Elect Soc, IEEE Ind Applicat Soc ID FREQUENCY AB Wireless power transfer (WPT) is a convenient, safe, and autonomous means for electric and plug-in hybrid electric vehicle charging that has seen rapid growth in recent years for stationary applications. WPT does not require bulky contacts, plugs, and wires, is not affected by dirt or weather conditions, and is as efficient as conventional charging systems. When applied in-motion, WPT additionally relives range anxiety, adds further convenience, reduces battery size, and may help increase the battery life through charge sustaining approach. This study summarizes some of the recent activities of Oak Ridge National Laboratory (ORNL) in WPT charging of EV and PHEV's in-motion. Laboratory experimental results that highlight the wireless transfer of power to a moving receiver coil as it passes a pair of transmit coils and investigation of results of insertion loss due to roadway surfacing materials. Some of the experimental lessons learned are also included in this study. C1 [Onar, Omer C.; Miller, John M.; Campbell, Steven L.; Coomer, Chester; White, Cliff. P.; Seiber, Larry E.] Oak Ridge Natl Lab, Power Elect & Elect Machinery Grp, Energy & Transportat Sci Div, Natl Transportat Res Ctr, Oak Ridge, TN 37831 USA. RP Onar, OC (reprint author), Oak Ridge Natl Lab, Power Elect & Elect Machinery Grp, Energy & Transportat Sci Div, Natl Transportat Res Ctr, Oak Ridge, TN 37831 USA. EM onaroc@ornl.gov; millerjm@ornl.gov; campbellls@ornl.gov; coomercl@ornl.gov; whitecp@ornl.gov; seiberle@ornl.gov NR 18 TC 41 Z9 46 U1 1 U2 10 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1048-2334 BN 978-1-4673-4355-8 J9 APPL POWER ELECT CO PY 2013 BP 3073 EP 3080 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA BHC65 UT WOS:000324988603034 ER PT S AU Alioli, S Fernandez, P Fuster, J Irles, A Moch, S Uwer, P Vos, M AF Alioli, S. Fernandez, P. Fuster, J. Irles, A. Moch, S. Uwer, P. Vos, M. GP IOP TI Top-quark mass measurements at LHC: a new approach SO 5TH INTERNATIONAL WORKSHOP ON TOP QUARK PHYSICS (TOP2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 5th International Workshop on Top Quark Physics (TOP) CY SEP 16-21, 2012 CL Winchester, ENGLAND ID HIGGS-BOSON AB We present a new method to measure the top-quark mass in high energetic hadron collisions at the LHC. We study the mass dependence of the production of top-quark pairs in association with an additional jet. The cross section of tt+1Jet production is sensitive to the top-quark mass since gluon radiation depends on the top-quark mass through threshold and cone effects. In particular we study the normalised tt+1Jet cross section differential in the invariant mass of the final state jets. We have investigated the sensitivity of the method together with the impact of various theoretical and experimental uncertainties. We find that the method has the potential to be competitive with existing methods. We emphasize that in the proposed method the mass parameter can be uniquely defined through one-loop renormalization. C1 [Alioli, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Alioli, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM adrian.irles@ific.uv.es RI Alioli, Simone/Q-4971-2016; OI Alioli, Simone/0000-0001-8234-2247; Vos, Marcel/0000-0001-8474-5357; Irles, Adrian/0000-0001-5668-151X NR 19 TC 0 Z9 0 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 452 AR 012050 DI 10.1088/1742-6596/452/1/012050 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BGW71 UT WOS:000324398200050 ER PT S AU Jung, AW AF Jung, Andreas Werner GP IOP TI Measurements of top-quark properties at the Tevatron SO 5TH INTERNATIONAL WORKSHOP ON TOP QUARK PHYSICS (TOP2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 5th International Workshop on Top Quark Physics (TOP) CY SEP 16-21, 2012 CL Winchester, ENGLAND AB Recent measurements of top-quark properties at the Tevatron are presented. CDF uses data corresponding up to 9.0 fb(-1) to measure the ratio R of the branching fractions B(t -> Wb)/B(t -> W-q), the branching fraction for top-quarks decaying into tau leptons and the cross section for the production of an additional gamma in t (t) over bar production. The results from all these measurements agree well with their respective Standard Model expectation. DO uses 5.3 fb(-1) of data to measure the t (t) over bar cross section as a function of the time. A time dependency would imply Lorentz invariance violation as implemented by the Standard Model extension. No time dependency is ohserved and DO sets first limits in the top-quark sector for Lorentz triance violation. DO also determines indirectly the top quark width using the results of earlier measurements at DO. The measured top quark width is in agreement with the SM expectation and does not show any hints for new physics contributions. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Jung, AW (reprint author), Fermilab Natl Accelerator Lab, MS 357,POB 500, Batavia, IL 60510 USA. EM ajung@fnal.gov NR 12 TC 0 Z9 0 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 452 AR 012035 DI 10.1088/1742-6596/452/1/012035 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BGW71 UT WOS:000324398200035 ER PT S AU Parke, SJ AF Parke, Stephen J. GP IOP TI Top Quark Angular Distributions - Theory SO 5TH INTERNATIONAL WORKSHOP ON TOP QUARK PHYSICS (TOP2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 5th International Workshop on Top Quark Physics (TOP) CY SEP 16-21, 2012 CL Winchester, ENGLAND ID PAIR PRODUCTION; HADRON COLLIDERS; DECAY AB The theoretical aspects of top quark angular distributions will be reviewed with special emphasis on spin correlations in top quark pair production. C1 Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. RP Parke, SJ (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, POB 500, Batavia, IL 60510 USA. EM parke@fnal.gov OI Parke, Stephen/0000-0003-2028-6782 NR 8 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 452 AR 012003 DI 10.1088/1742-6596/452/1/012003 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BGW71 UT WOS:000324398200003 ER PT S AU Petrillo, G AF Petrillo, Gianluca CA CDF Collaboration DO Collaboration GP IOP TI Top pair production cross-section results at Tevatron SO 5TH INTERNATIONAL WORKSHOP ON TOP QUARK PHYSICS (TOP2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 5th International Workshop on Top Quark Physics (TOP) CY SEP 16-21, 2012 CL Winchester, ENGLAND AB We present the latest measurements of the cross section of the production of the top quark in t (t) over bar pairs from p (p) over bar collisions at root s = 1.96 TeV. Measurements are performed using up to 9.1 fb-1 of data collected by the CDF and DO experiments at the Tevatron. The first combination of measurements from the two experiments is presented. From six different measurements, the cross section is measured to be sigma (pp -> t (t) over bar, root s = 1.96 TeV) = 7.65 +/- 0.42 pb. C1 [Petrillo, Gianluca; CDF Collaboration; DO Collaboration] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Petrillo, G (reprint author), Fermilab Natl Accelerator Lab, MS 352, Batavia, IL 60510 USA. EM petrillo@fnal.gov NR 8 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 452 AR 012031 DI 10.1088/1742-6596/452/1/012031 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BGW71 UT WOS:000324398200031 ER PT J AU Henley, WJ Litaker, RW Noyoyeska, L Duke, CS Quemada, HD Sayre, RT AF Henley, William J. Litaker, R. Wayne Noyoyeska, Lucie Duke, Clifford S. Quemada, Hector D. Sayre, Richard T. TI Initial risk assessment of genetically modified (GM) microalgae for commodity-scale biofuel cultivation SO ALGAL RESEARCH-BIOMASS BIOFUELS AND BIOPRODUCTS LA English DT Article DE Algae; Biofuels; Ecological risk; Genetic modification; Horizontal gene transfer ID HARMFUL ALGAL BLOOMS; HORIZONTAL GENE-TRANSFER; NUTRIENT-UPTAKE; CLIMATE-CHANGE; FATTY-ACIDS; CHLAMYDOMONAS-REINHARDTII; MARINE-PHYTOPLANKTON; ENGINEERED ORGANISMS; ENVIRONMENTAL RISKS; BIOMASS CONVERSION AB Genetic modification (GM) of microalgae to improve commercial production of biofuels is underway. Inevitable governmental regulations will likely address environmental, economic and human health impacts. Proactive addressing of such regulatory protection goals should begin now, during early development of this new, potentially large and transformative industry. We present strategies for ecological risk assessment of GM algae for commercial mass cultivation assuming that escape of GM algae into the environment is unavoidable. We consider the potential ecological, economic and health impacts of GM algae that persist in and alter natural ecosystems. Horizontal gene transfer with native organisms is of particular concern for certain traits, especially when cultivating GM cyanobacteria. In general, we predict that most target GM algal traits are unlikely to confer a selective advantage in nature, and thus would rapidly diminish, resulting in low but nonzero ecological risk. Genetic and mechanical containment, plus conditional matching of GM algal traits to unnatural cultivation conditions, would further reduce risk These hypothetical predictions must be verified through rigorous ongoing monitoring and mesocosm experiments to minimize risk and foster public and regulatory acceptance. (c) 2012 Elsevier B.V. All rights reserved. C1 [Henley, William J.; Noyoyeska, Lucie] Oklahoma State Univ, Dept Bot, Stillwater, OK 74078 USA. [Litaker, R. Wayne] NOAA, Beaufort, NC 28516 USA. [Duke, Clifford S.] Ecol Soc Amer, Washington, DC 20036 USA. [Quemada, Hector D.] Donald Danforth Plant Sci Ctr, St Louis, MO 63132 USA. [Sayre, Richard T.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Sayre, Richard T.] New Mexico Consortium, Los Alamos, NM 87544 USA. [Sayre, Richard T.] Phycal Inc, Highland Hts, OH 44143 USA. RP Henley, WJ (reprint author), Oklahoma State Univ, Dept Bot, Stillwater, OK 74078 USA. EM bill.henley@okstate.edu RI Quemada, Hector/M-2848-2013; OI Duke, Clifford/0000-0002-8041-4267; Sayre, Richard/0000-0002-3153-7084 FU Oklahoma Center for the Advancement of Science and Technology [PSB11-013]; NOAA program funds; U.S. Department of Energy; National Alliance for Advanced Biofuels and Bioproducts Consortium; Los Alamos National Laboratory, Laboratory Directed Research Program FX WJH and LN received support from the Oklahoma Center for the Advancement of Science and Technology, grant PSB11-013. RWL received support from NOAA program funds. RTS received support from the U.S. Department of Energy, National Alliance for Advanced Biofuels and Bioproducts Consortium, and from the Los Alamos National Laboratory, Laboratory Directed Research Program. The manuscript was greatly improved by the constructive criticisms of the three anonymous reviewers. NR 122 TC 31 Z9 31 U1 11 U2 66 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2211-9264 J9 ALGAL RES JI Algal Res. PD JAN PY 2013 VL 2 IS 1 BP 66 EP 77 DI 10.1016/j.algal.2012.11.001 PG 12 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 226RW UT WOS:000325054700010 ER PT J AU Wunschel, D Tulman, E Engelmann, H Clowers, BH Geary, S Robinson, A Liao, XF AF Wunschel, David Tulman, Edan Engelmann, Heather Clowers, Brian H. Geary, Steven Robinson, Aaron Liao, Xiaofen TI Forensic proteomics of poxvirus production SO ANALYST LA English DT Article ID IONIZATION MASS-SPECTROMETRY; ENVELOPED VACCINIA VIRUS; STABLE-ISOTOPE RATIOS; INTRACELLULAR MATURE; MICROBIAL FORENSICS; BACILLUS-ANTHRACIS; MS/MS SPECTRA; PROTEINS; IDENTIFICATION; SPORES AB The field of microbial forensics has recently sought to develop methods to discern biological signatures to indicate production methods for biological agents. Viral agents have received less attention to date. Their obligate propagation in living cells makes purification from cellular material a challenge. This leads to potential carryover of protein-rich signatures of their production system. Here we have explored a proteomic analysis of vaccinia virus as a model poxvirus system in which to compare samples of virus propagated in different cell lines and subjected to different purification schemes. The proteomic data sets indicated viral, host cell and culture medium proteins. Several layers of data analysis were applied to build confidence in the peptide identification and capture information on the taxonomic utility of each. The analysis showed clear shifts in protein profiles with virus purification, with successive gradient purification steps showing different levels of viral protein enrichment. Peptides from cellular proteins, including those present in purified virus preparations, provided signatures which enabled discrimination of cell line substrates, including distinguishing between cells derived from different primate species. The ability to discern multiple aspects of viral production demonstrates the potential value of proteomic analysis as tool for microbial forensics. C1 [Wunschel, David; Engelmann, Heather] Pacific NW Natl Lab, Chem & Biol Signature Sci Grp, Richland, WA 99352 USA. [Tulman, Edan; Geary, Steven; Liao, Xiaofen] Univ Connecticut, Storrs, CT USA. [Clowers, Brian H.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. [Robinson, Aaron] Univ Washington, Dept Lab Med, Seattle, WA 98195 USA. RP Wunschel, D (reprint author), Pacific NW Natl Lab, Chem & Biol Signature Sci Grp, Richland, WA 99352 USA. EM David.Wunschel@pnnl.gov FU Department of Homeland Security Science and Technology Directorate [X-00053/P00001]; U.S. DOE [DE-AC06-76RLO] FX Funding for this work was provided in part through contract HSHQPM-10-X-00053/P00001 to Pacific Northwest National Laboratory by the Department of Homeland Security Science and Technology Directorate. Battelle Memorial Institute operates Pacific Northwest National Laboratory for the U.S. DOE under Contract DE-AC06-76RLO. NR 43 TC 1 Z9 1 U1 1 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 J9 ANALYST JI Analyst PY 2013 VL 138 IS 21 BP 6385 EP 6397 DI 10.1039/c3an00711a PG 13 WC Chemistry, Analytical SC Chemistry GA 230TT UT WOS:000325366700027 PM 23979794 ER PT J AU Vismeh, R Lu, FC Chundawat, SPS Humpula, JF Azarpira, A Balan, V Dale, BE Ralph, J Jones, AD AF Vismeh, Ramin Lu, Fachuang Chundawat, Shishir P. S. Humpula, James F. Azarpira, Ali Balan, Venkatesh Dale, Bruce E. Ralph, John Jones, A. Daniel TI Profiling of diferulates (plant cell wall cross-linkers) using ultrahigh-performance liquid chromatography-tandem mass spectrometry SO ANALYST LA English DT Article ID BRAN INSOLUBLE FIBER; MAIZE BRAN; FERULIC ACID; STRUCTURAL IDENTIFICATION; LIGNOCELLULOSIC BIOMASS; DIETARY FIBER; LC-MSN; POLYSACCHARIDES; LINKING; OLIGOSACCHARIDES AB Recalcitrance of grasses to enzymatic digestion arises to a significant degree from a complex array of phenolic crosslinks between cell wall polysaccharide chains that inhibit their conversion to biofuels and lower their nutritive value for animal feed applications. Polysaccharide esters of ferulic acid are abundant in plant cell walls. Crosslinks between polysaccharides are formed through oxidative dehydrodimerization of ferulates, producing dehydrodiferulates (henceforth termed diferulates). Such ferulates and diferulates further crosslink plant cell walls by radical coupling cross-reactions during lignification. Although cell wall digestibility can be improved by cell wall metabolic engineering, or post-harvest by various pretreatment processes, a more comprehensive understanding of the role and impact of ferulate crosslinking on polysaccharide hydrolysis would be accelerated by availability of analytical methods that can distinguish the various diferulates released during biomass pretreatments, many of which are isomers. In this report, we present an ultrahigh-performance liquid chromatography/tandem mass spectrometry (UHPLC/MS/MS) strategy for comprehensive separation and identification of diferulate isomers. Collision-induced dissociation (CID) mass spectra of [M + H](+) ions distinguished various isomers without requiring derivatization. Characteristic product ions for 8-O-4-, 8-8-non-cyclic, 8-8-cyclic, 8-5-cyclic, 8-5-non-cyclic, and 5-5-linked isomers were identified. All diferulates were identified either as di-acids in extracts of NaOH-hydrolyzed corn stover, or as a diverse group of diferulate mono- and di-amides in extracts of Ammonia Fiber Expansion (AFEX (TM))-treated corn stover. This approach allows for direct analysis of released diferulates with minimal sample preparation, and can serve as the foundation for high-throughput profiling and correlating pretreatment conditions with biomass digestibility in biorefineries producing biofuels and biochemicals. C1 [Vismeh, Ramin; Jones, A. Daniel] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. [Vismeh, Ramin; Chundawat, Shishir P. S.; Humpula, James F.; Balan, Venkatesh; Dale, Bruce E.; Jones, A. Daniel] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr GLBRC, E Lansing, MI 48824 USA. [Lu, Fachuang; Ralph, John] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr GLBRC, Madison, WI USA. [Lu, Fachuang; Chundawat, Shishir P. S.; Azarpira, Ali; Ralph, John] Univ Wisconsin, Dept Biochem, Madison, WI 53705 USA. [Chundawat, Shishir P. S.; Humpula, James F.; Balan, Venkatesh; Dale, Bruce E.] Michigan State Univ, Biomass Convers Res Lab Chem Engn & Mat Sci, Lansing, MI USA. [Jones, A. Daniel] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. RP Jones, AD (reprint author), Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. EM jonesar4@msu.edu OI Jones, A. Daniel/0000-0002-7408-6690; Chundawat, Shishir/0000-0003-3677-6735 FU Great Lakes Bioenergy Research Center; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-FC02-07ER64494]; Michigan AgBioResearch FX This work was funded by Great Lakes Bioenergy Research Center (http://www.greatlakesbioenergy.org) supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through Cooperative Agreement DE-FC02-07ER64494 between The Board of Regents of the University of Wisconsin System and the U. S. Department of Energy. Additional support was provided by Michigan AgBioResearch. The authors thank Lijun Chen, Beverly Chamberlin, and Dr Scott Smith of the RTSF Mass Spectrometry and Metabolomics Core at Michigan State University for technical support. NR 54 TC 6 Z9 6 U1 4 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 EI 1364-5528 J9 ANALYST JI Analyst PY 2013 VL 138 IS 21 BP 6683 EP 6692 DI 10.1039/c3an36709f PG 10 WC Chemistry, Analytical SC Chemistry GA 230TT UT WOS:000325366700065 PM 24040649 ER PT J AU Cadeddu, MP Liljegren, JC Turner, DD AF Cadeddu, M. P. Liljegren, J. C. Turner, D. D. TI The Atmospheric radiation measurement (ARM) program network of microwave radiometers: instrumentation, data, and retrievals SO ATMOSPHERIC MEASUREMENT TECHNIQUES LA English DT Article ID CLOUD LIQUID WATER; INTENSIVE OBSERVATION PERIODS; MILLIMETER-WAVE; VAPOR MEASUREMENTS; NORTH SLOPE; PATH; TEMPERATURE; MODEL; PERMITTIVITY; RADIOSONDES AB The Climate Research Facility of the US Department of Energy's Atmospheric Radiation Measurement (ARM) Program operates a network of ground-based microwave radiometers. Data and retrievals from these instruments have been available to the scientific community for almost 20 yr. In the past five years the network has expanded to include a total of 22 microwave radiometers deployed in various locations around the world. The new instruments cover a frequency range between 22 and 197 GHz and are consistently and automatically calibrated. The latest addition to the network is a new generation of three-channel radiometers, currently in the early stage of deployment at all ARM sites. The network has been specifically designed to achieve increased accuracy in the retrieval of precipitable water vapor (PWV) and cloud liquid water path (LWP) with the long-term goal of providing the scientific community with reliable, calibrated radiometric data and retrievals of important geophysical quantities with well-characterized uncertainties. The radiometers provide high-quality, continuous datasets that can be utilized in a wealth of applications and scientific studies. This paper presents an overview of the microwave instrumentation, calibration procedures, data, and retrievals that are available for download from the ARM data archive. C1 [Cadeddu, M. P.; Liljegren, J. C.] Argonne Natl Lab, Argonne, IL 60439 USA. [Turner, D. D.] NOAA, Natl Severe Storms Lab, Norman, OK 73072 USA. RP Cadeddu, MP (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mcadeddu@anl.gov FU US Dept. of Energy [DE-AC02-06CH11357]; Atmospheric System Research (ASR) grants [DE-SC0006898, DE-SC0008830]; US Department of Energy, Office of Science, Office of Biological and Environmental Research, Environmental Sciences Division; US Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX This work was supported by the US Dept. of Energy under Contract DE-AC02-06CH11357.; D. D. Turner was supported by Atmospheric System Research (ASR) grants DE-SC0006898 and DE-SC0008830.; Data were obtained from the Atmospheric Radiation Measurement (ARM) Program sponsored by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, Environmental Sciences Division.; The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a US Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The US 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 50 TC 43 Z9 43 U1 0 U2 10 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1867-1381 J9 ATMOS MEAS TECH JI Atmos. Meas. Tech. PY 2013 VL 6 IS 9 BP 2359 EP 2372 DI 10.5194/amt-6-2359-2013 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 229SB UT WOS:000325286500010 ER PT S AU Fang, H Liang, G Zhao, L Wallace, T Arava, H Zhang, LL Ignatov, A Croft, MC AF Fang, Hui Liang, Gan Zhao, Liang Wallace, Timothy Arava, Hanu Zhang, Lu-Lu Ignatov, Alexander Croft, Mark C. BE Narayan, S Manivannan, A Manthiram, A TI bhg Synthesis and Characterization of Ti Doped Lithium Iron Phosphate SO BATTERIES AND ENERGY TECHNOLOGY (GENERAL) - 221ST ECS MEETING SE ECS Transactions LA English DT Proceedings Paper CT Symposium on Batteries and Energy Technology Joint General Session held during the 221st Meeting of the Electrochemical-Society (ECS) CY MAY 06-10, 2012 CL Seattle, WA SP Electrochem Soc, Energy Technol, Battery ID ALIOVALENT SUBSTITUTIONS; ELECTRODE MATERIALS; BATTERIES; LIFEPO4; IMPACT AB Li1-4yTiyFePO4 (y = 0, 0.01, 0.02, 0.03, 0.04, and 0.05) cathode materials were prepared by solid-state reaction. The as-prepared samples were characterized by X-ray diffraction, X-ray absorption spectroscopy, cyclic charge-discharge, cyclic voltammograms, and electrochemical impendence spectroscopy. The x-ray diffraction results indicate that the Ti4+ incorporates into the LiFePO4 lattice, but the XAS reveals that small amount of doped Ti can also form TiO2-anatase impurities. At 0.1 C rate, doping of Ti causes a decrease in charge and discharge capacities. However, at higher C rate, the charge/discharge capacities are improved. 1 at.% doping sample Li0.96Ti0.01FePO4 exhibits the optimized electrochemical performance. C1 [Fang, Hui; Liang, Gan; Wallace, Timothy; Arava, Hanu] Sam Houston State Univ, Dept Phys, Huntsville, TX 77341 USA. [Zhao, Liang] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. [Zhang, Lu-Lu] Three Gorges Univ, Coll Mech & Mat Engn, Hubei 443002, Peoples R China. [Ignatov, Alexander; Croft, Mark C.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Croft, Mark C.] Brookhaven Natl Lab, NELS, Upton, NY 11973 USA. RP Fang, H (reprint author), Sam Houston State Univ, Dept Phys, Huntsville, TX 77341 USA. FU National Science Foundation [CHE- 0718482]; Research Corporation for Science Advancement; Sam Houston State University FX This work was supported by National Science Foundation under Grants (No. CHE- 0718482), an award from Research Corporation for Science Advancement, and an ERG grant from Sam Houston State University. NR 18 TC 0 Z9 0 U1 0 U2 12 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-60768-404-6; 978-1-62332-052-2 J9 ECS TRANSACTIONS PY 2013 VL 45 IS 29 BP 11 EP 21 DI 10.1149/04529.0011ecst PG 11 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA BHG27 UT WOS:000325333300002 ER PT S AU Zhang, L Zhang, ZC Amine, K AF Zhang, Lu Zhang, Zhengcheng Amine, Khalil BE Narayan, S Manivannan, A Manthiram, A TI Redox shuttles for overcharge protection of lithium-ion batteries SO BATTERIES AND ENERGY TECHNOLOGY (GENERAL) - 221ST ECS MEETING SE ECS Transactions LA English DT Proceedings Paper CT Symposium on Batteries and Energy Technology Joint General Session held during the 221st Meeting of the Electrochemical-Society (ECS) CY MAY 06-10, 2012 CL Seattle, WA SP Electrochem Soc, Energy Technol, Battery ID CELLS; STABILITY AB Overcharge abuse has been one of the most common and dangerous safety issues of the state-of-art lithium-ion batteries. Thus, overcharge prevention must be implemented into the lithium-ion battery pack to enable its practical applications. Redox shuttle molecules that can be reversibly oxidized and reduced at specific potentials (redox potential) provide an effective and economic method to prevent overcharge abuse for lithium-ion batteries. We have developed a novel oligo(ethylene glycol)-functionalized redox shuttle, 2,5-di-tert-butyl-1,4-bis(2-methoxyethoxy) benzene (ANL-2), that is not only capable of providing efficient and long lasting overcharge protections to lithium-ion batteries (over 180 cycles of 100% overcharge at C/2 rate), but also very compatible to the state-of-art lithium-ion cell system. C1 [Zhang, Lu; Zhang, Zhengcheng; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Zhang, L (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA. EM luzahng@anl.gov; amine@anl.gov NR 22 TC 2 Z9 2 U1 2 U2 7 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-60768-404-6 J9 ECS TRANSACTIONS PY 2013 VL 45 IS 29 BP 57 EP 66 DI 10.1149/04529.0057ecst PG 10 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA BHG27 UT WOS:000325333300008 ER PT S AU Ryan, EM Ferris, KF Tartakovsky, AM Khaleel, MA AF Ryan, E. M. Ferris, K. F. Tartakovsky, A. M. Khaleel, M. A. BE Narayan, S Manivannan, A Manthiram, A TI Computational Modeling of Transport Limitations in Li-Air Batteries SO BATTERIES AND ENERGY TECHNOLOGY (GENERAL) - 221ST ECS MEETING SE ECS Transactions LA English DT Proceedings Paper CT Symposium on Batteries and Energy Technology Joint General Session held during the 221st Meeting of the Electrochemical-Society (ECS) CY MAY 06-10, 2012 CL Seattle, WA SP Electrochem Soc, Energy Technol, Battery ID LITHIUM; BREAKDOWN AB In this paper we investigate transport limitations in the electrodes of lithium-air batteries through computational modeling. We use meso-scale models to consider the effects of dendrites on the current and potential at the anode surface, and to investigate the effects of reaction and transport parameters on the formation of precipitates in the cathode. The formation of dendrites on the anode surface during cycling reduces the transport of ions and can lead to short circuits in the cell. Growth of precipitates in the cathode reduces the specific capacity of the cell due to surface passivation and pore clogging. Both of these degradation mechanisms depend on meso-scale phenomena, such as the pore-scale reactive transport in the cathode. To understand the effects of the meso-scale transport and precipitation on the performance and lifetime of Li-air batteries, meso-scale modeling is needed that is able to resolve the electrodes and their microstructures. C1 [Ryan, E. M.] Boston Univ, Dept Mech Engn, Boston, MA 02215 USA. [Ferris, K. F.; Tartakovsky, A. M.; Khaleel, M. A.] Pacific Northwest Natl Lab, Div Computat Sci & Math, Richland, WA 99352 USA. RP Ryan, EM (reprint author), Boston Univ, Dept Mech Engn, Boston, MA 02215 USA. OI khaleel, mohammad/0000-0001-7048-0749 FU Boston University; US Department of Energy [DE-AC06-76-RL1830]; U.S. Department of Energy; Energy Efficiency and Renewable Energy; Office of Vehicle Technologies FX The first author was supported by her startup funding provided by Boston University.; The Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the US Department of Energy under contract DE-AC06-76-RL1830. KFF would like to acknowledge support by the U.S. Department of Energy, Energy Efficiency and Renewable Energy, Office of Vehicle Technologies NR 23 TC 5 Z9 5 U1 0 U2 18 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-60768-404-6; 978-1-62332-052-2 J9 ECS TRANSACTIONS PY 2013 VL 45 IS 29 BP 123 EP 136 DI 10.1149/04529.0123ecst PG 14 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA BHG27 UT WOS:000325333300015 ER PT S AU Pakalapati, SR Celik, IB Finklea, HO Escobar-Vargas, JA AF Pakalapati, S. R. Celik, I. B. Finklea, H. O. Escobar-Vargas, J. A. BE Narayan, S Manivannan, A Manthiram, A TI A Computational Study of Anomalous Cathode-Reference Voltages on Anode Supported Button SOFCs SO BATTERIES AND ENERGY TECHNOLOGY (GENERAL) - 221ST ECS MEETING SE ECS Transactions LA English DT Proceedings Paper CT Symposium on Batteries and Energy Technology Joint General Session held during the 221st Meeting of the Electrochemical-Society (ECS) CY MAY 06-10, 2012 CL Seattle, WA SP Electrochem Soc, Energy Technol, Battery ID REFERENCE ELECTRODE; IMPEDANCE SPECTROSCOPY; SOLID-ELECTROLYTE AB The three-point electrode method is believed to be unsuitable for isolating the cathode or anode performance in electrode-supported button Solid Oxide Fuel Cells (SOFCs). Devising a strategy to use this technique in conjunction with simulations for fruitful testing of anode-supported button cells is a topic of ongoing research. In experiments with reference electrodes on the cathode side of anode-supported SOFCs, potential difference between cathode and reference electrode at open circuit is expected to be 0 mV. However, potential differences of 10 to 50 mV are consistently observed with two types of reference electrodes (silver, LSM/YSZ composite). In this study, two possible reasons are explored for this discrepancy: fuel leakage and double layer effects. Plausibility of the hypothesized causes is tested using numerical simulations of the test apparatus and potential distribution inside the button cell. Initial results show that a combination of these factors could be responsible for the observed anomalies. C1 [Pakalapati, S. R.; Celik, I. B.; Finklea, H. O.; Escobar-Vargas, J. A.] Reg Univ Alliance, Natl Energy Technol Lab, Morgantown, WV 26505 USA. RP Pakalapati, SR (reprint author), Reg Univ Alliance, Natl Energy Technol Lab, Morgantown, WV 26505 USA. NR 9 TC 0 Z9 0 U1 0 U2 1 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-60768-404-6 J9 ECS TRANSACTIONS PY 2013 VL 45 IS 29 BP 205 EP 215 DI 10.1149/04529.0205ecst PG 11 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA BHG27 UT WOS:000325333300023 ER PT J AU Seibert, M AF Seibert, Michael BE Pandey, A Chang, JS Hallenbeck, PC Larroche, C TI BIOHYDROGEN Foreword SO BIOHYDROGEN LA English DT Editorial Material; Book Chapter C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Seibert, M (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-444-59548-5 PY 2013 BP XI EP XII PG 2 WC Biotechnology & Applied Microbiology; Energy & Fuels; Engineering, Chemical SC Biotechnology & Applied Microbiology; Energy & Fuels; Engineering GA BHB78 UT WOS:000324895100001 ER PT J AU Steneck, RS Leland, A McNaught, DC Vavrinec, J AF Steneck, Robert S. Leland, Amanda McNaught, Douglas C. Vavrinec, John TI ECOSYSTEM FLIPS, LOCKS, AND FEEDBACKS: THE LASTING EFFECTS OF FISHERIES ON MAINE'S KELP FOREST ECOSYSTEM SO BULLETIN OF MARINE SCIENCE LA English DT Article ID SEA-URCHINS STRONGYLOCENTROTUS; HOMARUS-AMERICANUS; HABITAT SELECTION; TROPHIC CASCADES; STABLE STATES; PHASE-SHIFTS; ROCK CRABS; CORAL-REEF; COMMUNITIES; ATLANTIC AB Ecosysteins can "flip" and, as a result of reinforcing feedback mechanisms, "lock" into alternative stable states. We studied this process in a kelp-forest ecosystem in Maine, USA, for nearly four decades and found two stable states: one dominated by green sea urchins and crustose coralline algae and the other by erect fleshy macroalgae. Herbivory by urchins drives algal deforestation, but declined after fishing for sea urchins began in 1987. As the fishery expanded northeastward, so did phase shifts to macroalgae. By 2000, macroalgae dominated nearly all of coastal Maine. Monitoring newly settled sea urchins between 1996 and 2002 revealed sites with thousands of settlers per square meter per year, but virtually none survived to become adults. Algal succession to densely branched morphologies may create nursery habitat for settling crabs that prey on settling sea urchins. Experiments intended to restore herbivory to prefishing levels, through translocation of 51,000 adult sea urchins over two consecutive years at multiple release sites (with controls), resulted in complete urchin mortality both years as a result of predation by large migratory Cancer borealis Stimpson, 1859 crabs. Population densities of this crab increased fivefold coastwide soon after the macroalgal phase shift. Persistent absence of urchins (even in no-take reserves) probably resulted from predation on newly settled and/or adult urchins. Fisheries-induced declines in herbivory may therefore have improved recruitment potential for predatory crabs that then became the region's new apex predator. Cascading sequential processes of herbivory, recruitment, and predation create reinforcing feedback, effectively locking this ecosystem into alternative stable states. C1 [Steneck, Robert S.] Univ Maine, Darling Marine Ctr, Sch Marine Sci, Walpole, ME 04573 USA. [Leland, Amanda] Environm Def Fund, Washington, DC 20009 USA. [McNaught, Douglas C.] Univ Maine, Dept Environm & Biol Sci, Machias, ME 04654 USA. [Vavrinec, John] Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA. RP Steneck, RS (reprint author), Univ Maine, Darling Marine Ctr, Sch Marine Sci, Walpole, ME 04573 USA. EM steneck@maine.edu FU NOAA's National Undersea Research Center at the University of Connecticut; Maine's Department of Marine Resources; Maine's Sea Urchins Zone Council; Maine Sea Grant; Pew Fellowship in Marine Conservation; University of Maine's Association of Graduate Students FX We are indebted to many people for their encouragement, guidance, and help in developing this paper. R Vadas was largely responsible for getting R Steneck actively involved in sea urchin research in the 1970s. C Pfister helped gather data on algae and urchins in the 1980s. Numerous people helped us in the field in the 1990s and 2000s, including E Annis, C Cleaver, R Russell, G Welch, J Higgins, and R Downs. Field assistants also included B Smith, A Haupt, R Beas, M Baird, S Parks, L Harmon, S Nayyar, E Horan, R Howell, C Harbison, J Kassakian, B Laberge, D Drisco, and S Zimsen. Team leader for the massive Chondrus surveys was T Suskewitz. Urchin harvesters included J Berke, L Gardner, B Preney, R Odlin, J Reidy, and P Fischer. This research benefited from conversations with L Watling, R Wahle, P Yund, and R Vadas. L Jacobson from NOAA's Northeast Fisheries Science Center in Woods Hole, MA, provided the federal groundfish survey data. R Vadas, J Steneck, and C Cleaver commented on earlier drafts of this paper. The National Science Foundation (OCE83151136, OCE8600262), NOAA's National Undersea Research Center at the University of Connecticut, Maine's Department of Marine Resources, Maine's Sea Urchins Zone Council, Maine Sea Grant, a Pew Fellowship in Marine Conservation, and the University of Maine's Association of Graduate Students funded this research. We are grateful to all. NR 83 TC 37 Z9 37 U1 3 U2 53 PU ROSENSTIEL SCH MAR ATMOS SCI PI MIAMI PA 4600 RICKENBACKER CAUSEWAY, MIAMI, FL 33149 USA SN 0007-4977 EI 1553-6955 J9 B MAR SCI JI Bull. Mar. Sci. PD JAN PY 2013 VL 89 IS 1 BP 31 EP 55 DI 10.5343/bms.2011.1148 PG 25 WC Marine & Freshwater Biology; Oceanography SC Marine & Freshwater Biology; Oceanography GA 229ZL UT WOS:000325306300004 ER PT S AU Mullen, JC Buric, MP Woodruff, SD AF Mullen, Jessica C. Buric, Michael P. Woodruff, Steven D. BE Gluckstad, J Andrews, DL Galvez, EJ TI Azimuthal polarization for Raman enhancement in capillary waveguides SO COMPLEX LIGHT AND OPTICAL FORCES VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Complex Light and Optical Forces VII part of Photonics West CY FEB 05-07, 2013 CL San Francisco, CA SP SPIE DE hollow metal capillary waveguide; Raman spectroscopy; azimuthal polarization; radial polarization; spiral phase plate ID GENERATION; LIGHT; BEAMS; MODE AB Hollow, metal-lined capillary waveguides have recently been utilized in spontaneous gas-Raman spectroscopy to improve signal strength and response time. The hollow waveguide is used to contain the sample gases, efficiently propagate a pump beam, and efficiently collect Raman scattering from those gases. Transmission losses in the waveguide may be reduced by using an azimuthally polarized pump beam instead of a linearly or radially polarized pump. This will lead to improved Raman signal strength, accuracy, and response time in waveguide-based Raman gas-composition sensors. A linearly polarized laser beam is azimuthally polarized using passive components including a spiral phase plate and an azimuthal-type linear analyzer element. Half-wave plates are then used to switch between the azimuthally polarized beam and the radially polarized beam with no change in input pump power. The collected Raman signal strength and laser-throughput are improved when the azimuthally polarized pump is used. Optimization of the hollow waveguide Raman gas sensor is discussed with respect to incident pump polarization. C1 [Mullen, Jessica C.; Buric, Michael P.; Woodruff, Steven D.] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Mullen, JC (reprint author), Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM Michael.Buric@netl.doe.gov NR 18 TC 1 Z9 1 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9406-1 J9 PROC SPIE PY 2013 VL 8637 AR 863713 DI 10.1117/12.2005168 PG 10 WC Optics; Physics, Applied SC Optics; Physics GA BHF25 UT WOS:000325227800025 ER PT S AU Beck, J Fedkin, M Lvov, S Ziomek-Moroz, M Holcomb, GR Tylczak, J Alman, D AF Beck, Justin Fedkin, Mark Lvov, Serguei Ziomek-Moroz, Margaret Holcomb, Gordon R. Tylczak, Joseph Alman, David BE Fujimoto, S Hansen, DC Virtanen, S TI In situ electrochemical corrosion measurements of carbon steel in supercritical CO2 using a membrane-coated electrochemical probe SO CORROSION (GENERAL) - 221ST ECS MEETING SE ECS Transactions LA English DT Proceedings Paper CT Symposium on Corrosion General Session held during the 221st Meeting of the Electrochemical-Society (ECS) CY MAY 06-10, 2012 CL Seattle, WA SP Electrochem Soc, Corrosion ID THIN ELECTROLYTE; GALVANIC CORROSION; STATE AB Growing interest in transporting supercritical carbon dioxide (scCO(2)) for enhanced oil recovery and carbon capture and storage has led to an increased interest in the corrosion behavior of pipeline steels at varying levels of water contamination. Electrochemical measurements in scCO(2) fluids have been limited by low solution conductivity even when saturated with water vapor. Recent efforts to overcome this barrier by using electrochemical probes coated with a thin membrane of ion conducting polymer are reported here. A prototype probe was tested using carbon steel and corrosion tests were performed using linear polarization resistance, electrochemical impedance spectroscopy, and electrochemical frequency modulation. While the construction of the probe had an impact on the electrolyte resistance and mass transfer impedance, the charge transfer impedance varied little across the tested probes. The probe design could be used to predict worst-case scenario corrosion rates from charge transfer control for a variety of low-conductivity environments. C1 [Beck, Justin; Fedkin, Mark; Lvov, Serguei] Penn State Univ, EMS Energy Inst, University Pk, PA 16802 USA. [Beck, Justin; Lvov, Serguei] Penn State Univ, Dept Energy & Mineral Engn, University Pk, PA 16802 USA. [Lvov, Serguei] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Ziomek-Moroz, Margaret; Holcomb, Gordon R.; Tylczak, Joseph; Alman, David] US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA. RP Lvov, S (reprint author), Penn State Univ, EMS Energy Inst, University Pk, PA 16802 USA. EM lvov@psu.edu RI Holcomb, Gordon/G-9070-2013; Tylczak, Joseph/C-7956-2009 OI Holcomb, Gordon/0000-0003-3542-5319; Tylczak, Joseph/0000-0002-0391-2350 FU NETL's research in Materials Performance in CO2 Transport under the RES [DE-FE0004000] FX This project was performed as a part of the collaborative NETL-RUA initiative in support of the NETLs research in Materials Performance in CO2 Transport under the RES contract DE-FE0004000. NR 15 TC 0 Z9 0 U1 0 U2 8 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-60768-387-2; 978-1-62332-035-5 J9 ECS TRANSACTIONS PY 2013 VL 45 IS 19 BP 39 EP 50 DI 10.1149/04519.0039ecst PG 12 WC Electrochemistry; Metallurgy & Metallurgical Engineering; Materials Science, Coatings & Films SC Electrochemistry; Metallurgy & Metallurgical Engineering; Materials Science GA BHG63 UT WOS:000325350100004 ER PT S AU Ziomek-Moroz, M Hawk, JA Ramgopal, T Gui, F AF Ziomek-Moroz, M. Hawk, J. A. Ramgopal, T. Gui, F. BE Fujimoto, S Hansen, DC Virtanen, S TI Surface Studies of Ultra-high Strength Drilling Steel after Corrosion Fatigue in Simulated Sour Environment SO CORROSION (GENERAL) - 221ST ECS MEETING SE ECS Transactions LA English DT Proceedings Paper CT Symposium on Corrosion General Session held during the 221st Meeting of the Electrochemical-Society (ECS) CY MAY 06-10, 2012 CL Seattle, WA SP Electrochem Soc, Corrosion ID MODEL AB Crack growth behavior in pre-cracked compact tension ultra-high strength carbon steel samples under cyclic stresses in a deaerated 5% NaCl solution buffered with NaHCO3/Na2CO3, pH=12, in contact with 0.83 MPa H2S, was investigated at 20 and 85 degrees C, respectively. Microscopic investigation of the crack that propagated at 20 degrees C shows the features characteristic of corrosion fatigue whereas the crack that propagated at 85 degrees C exhibits features characteristic of stress corrosion cracking. Corrosion products were found inside the cracks at lower and higher temperatures, however not at the crack tip. These microscopic results provide the experimental evidence that the corrosion products were plugging the cracks at both temperatures. Possible crack closure by the corrosion products was predicated based on non-linearity of fatigue crack growth rate versus frequency at each temperature. Energy and wavelength dispersive X-ray spectroscopy analyses detected Fe and S-rich corrosion products formed inside crack at 20 degrees C, and Fe and O-rich products at 85 degrees C. This indicates that H2S played a lesser role in the degradation process at higher temperature. This result can be associated with lower dissolution of H2S in the solution at 85 degrees C than that at 25 degrees C. C1 [Ziomek-Moroz, M.; Hawk, J. A.] US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA. [Ramgopal, T.; Gui, F.] DNV Columbus, Dublin 43017, OH USA. RP Ziomek-Moroz, M (reprint author), US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA. NR 8 TC 2 Z9 2 U1 0 U2 5 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-60768-387-2; 978-1-62332-035-5 J9 ECS TRANSACTIONS PY 2013 VL 45 IS 19 BP 51 EP 62 DI 10.1149/04519.0051ecst PG 12 WC Electrochemistry; Metallurgy & Metallurgical Engineering; Materials Science, Coatings & Films SC Electrochemistry; Metallurgy & Metallurgical Engineering; Materials Science GA BHG63 UT WOS:000325350100005 ER PT J AU Voisin, N Li, H Ward, D Huang, M Wigmosta, M Leung, LR AF Voisin, N. Li, H. Ward, D. Huang, M. Wigmosta, M. Leung, L. R. TI On an improved sub-regional water resources management representation for integration into earth system models SO HYDROLOGY AND EARTH SYSTEM SCIENCES LA English DT Article ID LAND-SURFACE; ANTHROPOGENIC IMPACTS; PART 2; FLUXES; IRRIGATION AB Human influence on the hydrologic cycle includes regulation and storage, consumptive use and overall redistribution of water resources in space and time. Representing these processes is essential for applications of earth system models in hydrologic and climate predictions, as well as impact studies at regional to global scales. Emerging large-scale research reservoir models use generic operating rules that are flexible for coupling with earth system models. Those generic operating rules have been successful in reproducing the overall regulated flow at large basin scales. This study investigates the uncertainties of the reservoir models from different implementations of the generic operating rules using the complex multi-objective Columbia River Regulation System in northwestern United States as an example to understand their effects on not only regulated flow but also reservoir storage and fraction of the demand that is met. Numerical experiments are designed to test new generic operating rules that combine storage and releases targets for multipurpose reservoirs and to compare the use of reservoir usage priorities and predictors (withdrawals vs. consumptive demands, as well as natural vs. regulated mean flow) for configuring operating rules. Overall the best performing implementation is with combined priorities rules (flood control storage targets and irrigation release targets) set up with mean annual natural flow and mean monthly withdrawals. The options of not accounting for groundwater withdrawals, or on the contrary, of assuming that all remaining demand is met through groundwater extractions, are discussed. C1 [Voisin, N.; Li, H.; Ward, D.; Huang, M.; Wigmosta, M.; Leung, L. R.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Voisin, N (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM nathalie.voisin@pnnl.gov RI Li, Hong-Yi/C-9143-2014; Voisin, Nathalie/D-8845-2014; Huang, Maoyi/I-8599-2012; OI Li, Hong-Yi/0000-0001-5690-3610; Huang, Maoyi/0000-0001-9154-9485; Voisin, Nathalie/0000-0002-6848-449X FU Department of Energy Earth System Modeling program; U.S. Department of Energy [DE-AC05-76RLO1830] FX This study was performed as part of the Integrated Earth System Modeling (iESM) project supported by Department of Energy Earth System Modeling program to develop models for representing the influence of human-earth system interactions on the water and carbon cycles. The Pacific Northwest National Laboratory (PNNL) Platform for Regional Integrated Modeling and Analysis (PRIMA) Initiative supported the development of databases used in reservoir modeling and some analyses of the results. PNNL is operated by Battelle for the U.S. Department of Energy under contract DE-AC05-76RLO1830. The authors thank the anonymous reviewers for their helpful comments and suggestions. NR 26 TC 21 Z9 21 U1 1 U2 16 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1027-5606 J9 HYDROL EARTH SYST SC JI Hydrol. Earth Syst. Sci. PY 2013 VL 17 IS 9 BP 3605 EP 3622 DI 10.5194/hess-17-3605-2013 PG 18 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA 230ND UT WOS:000325346800016 ER PT J AU Rodriguez, JA Hanson, JC Chupas, PJ AF Rodriguez, Jose A. Hanson, Jonathan C. Chupas, Peter J. BE Rodriguez, JA Hanson, JC Chupas, PJ TI INTRODUCTION: GOALS AND CHALLENGES FOR THE IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSTS SO IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSTS LA English DT Editorial Material; Book Chapter ID WATER-GAS SHIFT; X-RAY-DIFFRACTION; PHOTOELECTRON-SPECTROSCOPY; ABSORPTION-SPECTROSCOPY; AMBIENT-PRESSURE; ACTIVE-SITE; COPPER; NANOPARTICLES; RESOLUTION; SURFACES C1 [Rodriguez, Jose A.; Hanson, Jonathan C.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Chupas, Peter J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. OI Rodrigues Jr, Jose F/0000-0001-8318-1780 NR 62 TC 15 Z9 15 U1 0 U2 2 PU JOHN WILEY & SONS PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER, W SUSSEX PO 19 8SQ, ENGLAND BN 978-1-118-00016-8 PY 2013 BP 1 EP 22 D2 10.1002/9781118355923 PG 22 WC Chemistry, Analytical; Chemistry, Physical SC Chemistry GA BHC23 UT WOS:000324922100001 ER PT J AU Frenkel, AI Khalid, S Hanson, JC Nachtegaal, M AF Frenkel, Anatoly I. Khalid, Syed Hanson, Jonathan C. Nachtegaal, Maarten BE Rodriguez, JA Hanson, JC Chupas, PJ TI QEXAFS IN CATALYSIS RESEARCH: PRINCIPLES, DATA ANALYSIS, AND APPLICATIONS SO IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSTS LA English DT Article; Book Chapter ID X-RAY-ABSORPTION; SOLID-STATE CHEMISTRY; IN-SITU; SYNCHROTRON-RADIATION; COMPONENT ANALYSIS; HETEROGENEOUS CATALYSIS; QUANTITATIVE SPECIATION; DATA-ACQUISITION; FINE-STRUCTURE; REACTION CELL C1 [Frenkel, Anatoly I.] Yeshiva Univ, Dept Phys, New York, NY 10033 USA. [Khalid, Syed] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Hanson, Jonathan C.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Nachtegaal, Maarten] Paul Scherrer Inst, Viiligen, Switzerland. RP Frenkel, AI (reprint author), Yeshiva Univ, Dept Phys, New York, NY 10033 USA. NR 78 TC 2 Z9 2 U1 1 U2 5 PU JOHN WILEY & SONS PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER, W SUSSEX PO 19 8SQ, ENGLAND BN 978-1-118-00016-8 PY 2013 BP 23 EP 47 D2 10.1002/9781118355923 PG 25 WC Chemistry, Analytical; Chemistry, Physical SC Chemistry GA BHC23 UT WOS:000324922100002 ER PT J AU Hanson, J Norby, P AF Hanson, Jonathan Norby, Poul BE Rodriguez, JA Hanson, JC Chupas, PJ TI IN-SITU POWDER X-RAY DIFFRACTION IN HETEROGENEOUS CATALYSIS SO IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSTS LA English DT Article; Book Chapter ID WATER-GAS SHIFT; HYDROTHERMAL SYNTHESIS; REACTION-MECHANISM; HYDROCARBON FORMATION; CATION MIGRATION; CO-REACTION; MAS NMR; CRYSTALLIZATION; ZEOLITES; METHANOL C1 [Hanson, Jonathan] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Norby, Poul] Tech Univ Denmark, Dept Energy Convers & Storage, Roskilde, Denmark. RP Hanson, J (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. NR 38 TC 3 Z9 3 U1 1 U2 4 PU JOHN WILEY & SONS PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER, W SUSSEX PO 19 8SQ, ENGLAND BN 978-1-118-00016-8 PY 2013 BP 121 EP 146 D2 10.1002/9781118355923 PG 26 WC Chemistry, Analytical; Chemistry, Physical SC Chemistry GA BHC23 UT WOS:000324922100005 ER PT J AU Chapman, KW Chupas, PJ AF Chapman, Karena W. Chupas, Peter J. BE Rodriguez, JA Hanson, JC Chupas, PJ TI PAIR DISTRIBUTION FUNCTION ANALYSIS OF HIGH-ENERGY X-RAY SCATTERING DATA SO IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSTS LA English DT Article; Book Chapter ID NANOPARTICLES; DIFFRACTION; MECHANISM; GAMMA-AL2O3; SIMULATION; KINETICS; PDF C1 [Chapman, Karena W.; Chupas, Peter J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Chapman, KW (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. NR 36 TC 3 Z9 3 U1 0 U2 5 PU JOHN WILEY & SONS PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER, W SUSSEX PO 19 8SQ, ENGLAND BN 978-1-118-00016-8 PY 2013 BP 147 EP 168 D2 10.1002/9781118355923 PG 22 WC Chemistry, Analytical; Chemistry, Physical SC Chemistry GA BHC23 UT WOS:000324922100006 ER PT J AU Huq, A Chen, WR AF Huq, Ashfia Chen, Wei-Ren BE Rodriguez, JA Hanson, JC Chupas, PJ TI NEUTRON SCATTERING FOR IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSIS SO IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSTS LA English DT Article; Book Chapter ID SUPPORTED-METAL-CATALYSTS; X-RAY-SCATTERING; MOSSBAUER-SPECTROSCOPY; SELECTIVE OXIDATION; CRYSTAL-STRUCTURE; DIFFRACTION; HYDROGEN; BEHAVIOR; ZEOLITE; SYSTEM C1 [Huq, Ashfia; Chen, Wei-Ren] Spallat Neutron Source, Chem & Engn Mat Div, Oak Ridge, TN USA. RP Huq, A (reprint author), Spallat Neutron Source, Chem & Engn Mat Div, Oak Ridge, TN USA. NR 59 TC 0 Z9 0 U1 1 U2 2 PU JOHN WILEY & SONS PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER, W SUSSEX PO 19 8SQ, ENGLAND BN 978-1-118-00016-8 PY 2013 BP 169 EP 189 D2 10.1002/9781118355923 PG 21 WC Chemistry, Analytical; Chemistry, Physical SC Chemistry GA BHC23 UT WOS:000324922100007 ER PT J AU Mudiyanselage, K Stacchiola, DJ AF Mudiyanselage, Kumudu Stacchiola, Dario J. BE Rodriguez, JA Hanson, JC Chupas, PJ TI IN-SITU INFRARED SPECTROSCOPY ON MODEL CATALYSTS SO IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSTS LA English DT Article; Book Chapter ID SUM-FREQUENCY GENERATION; REFLECTION-ABSORPTION SPECTROSCOPY; SUPPORTED PD NANOPARTICLES; SURFACE VIBRATIONAL SPECTROSCOPY; VINYL-ACETATE FORMATION; ULTRA-THIN FILMS; CO ADSORPTION; ADSORBED MOLECULES; ELEVATED PRESSURES; AMBIENT-PRESSURE C1 [Mudiyanselage, Kumudu; Stacchiola, Dario J.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Mudiyanselage, K (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. NR 74 TC 2 Z9 2 U1 1 U2 5 PU JOHN WILEY & SONS PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER, W SUSSEX PO 19 8SQ, ENGLAND BN 978-1-118-00016-8 PY 2013 BP 209 EP 239 D2 10.1002/9781118355923 PG 31 WC Chemistry, Analytical; Chemistry, Physical SC Chemistry GA BHC23 UT WOS:000324922100009 ER PT J AU Stavitski, E AF Stavitski, Eli BE Rodriguez, JA Hanson, JC Chupas, PJ TI INFRARED SPECTROSCOPY ON POWDER CATALYSTS SO IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSTS LA English DT Article; Book Chapter ID WATER-GAS SHIFT; FT-IR SPECTROSCOPY; ADSORBED PROBE MOLECULES; FUEL-CELL APPLICATIONS; IN-SITU DRIFTS; ACID SITES; V2O5/TIO2 CATALYSTS; SURFACE-ACIDITY; CARBON-MONOXIDE; LOW-TEMPERATURE C1 Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Stavitski, E (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. NR 83 TC 3 Z9 3 U1 0 U2 2 PU JOHN WILEY & SONS PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER, W SUSSEX PO 19 8SQ, ENGLAND BN 978-1-118-00016-8 PY 2013 BP 241 EP 265 D2 10.1002/9781118355923 PG 25 WC Chemistry, Analytical; Chemistry, Physical SC Chemistry GA BHC23 UT WOS:000324922100010 ER PT J AU Starr, DE Bluhm, H Liu, Z Knop-Gericke, A Havecker, M AF Starr, David E. Bluhm, Hendrik Liu, Zhi Knop-Gericke, Axel Haevecker, Michael BE Rodriguez, JA Hanson, JC Chupas, PJ TI APPLICATION OF AMBIENT-PRESSURE X-RAY PHOTOELECTRON SPECTROSCOPY FOR THE IN-SITU INVESTIGATION OF HETEROGENEOUS CATALYTIC REACTIONS SO IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSTS LA English DT Article; Book Chapter ID CARBON NANOTUBE GROWTH; PREFERENTIAL CO OXIDATION; MIXED-OXIDE CATALYSTS; PROPANE OXIDATION; HYDROGEN PROX; M1 PHASE; SURFACE; WATER; NANOPARTICLES; LIQUIDS C1 [Starr, David E.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Bluhm, Hendrik] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Knop-Gericke, Axel] Max Planck Gesell, Fritz Haber Inst, Dept Inorgan Chem, D-620017 Berlin, Germany. [Haevecker, Michael] Elekt Speicherring BESSY II, Div Solar Energy Res, Berlin, Germany. RP Starr, DE (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. NR 80 TC 4 Z9 4 U1 0 U2 10 PU JOHN WILEY & SONS PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER, W SUSSEX PO 19 8SQ, ENGLAND BN 978-1-118-00016-8 PY 2013 BP 315 EP 343 D2 10.1002/9781118355923 PG 29 WC Chemistry, Analytical; Chemistry, Physical SC Chemistry GA BHC23 UT WOS:000324922100013 ER PT J AU Frenkel, AI Hanson, JC AF Frenkel, Anatoly I. Hanson, Jonathan C. BE Rodriguez, JA Hanson, JC Chupas, PJ TI COMBINED X-RAY DIFFRACTION AND ABSORPTION SPECTROSCOPY IN CATALYSIS RESEARCH: TECHNIQUES AND APPLICATIONS SO IN-SITU CHARACTERIZATION OF HETEROGENEOUS CATALYSTS LA English DT Article; Book Chapter ID IN-SITU CHARACTERIZATION; GAS SHIFT REACTION; SYNCHROTRON-RADIATION; POWDER DIFFRACTION; COPPER; EXAFS; OXIDATION; SYSTEMS; QEXAFS; CERIA C1 [Frenkel, Anatoly I.] Yeshiva Univ, Dept Phys, New York, NY 10033 USA. [Hanson, Jonathan C.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Frenkel, AI (reprint author), Yeshiva Univ, Dept Phys, New York, NY 10033 USA. NR 31 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER, W SUSSEX PO 19 8SQ, ENGLAND BN 978-1-118-00016-8 PY 2013 BP 345 EP 367 D2 10.1002/9781118355923 PG 23 WC Chemistry, Analytical; Chemistry, Physical SC Chemistry GA BHC23 UT WOS:000324922100014 ER PT S AU Ji, ZP Theiler, J Chartrand, R Kenyon, G Brumby, SP AF Ji, Zhengping Theiler, James Chartrand, Rick Kenyon, Garrett Brumby, Steven P. BE Szu, HH TI Decoupling sparse coding of SIFT descriptors for large-scale visual recognition SO INDEPENDENT COMPONENT ANALYSES, COMPRESSIVE SAMPLING, WAVELETS, NEURAL NET, BIOSYSTEMS, AND NANOENGINEERING XI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Independent Component Analyses, Compressive Sampling, Wavelets, Neural Net, Biosystems, and Nanoengineering XI CY MAY 01-03, 2013 CL Baltimore, MD SP SPIE DE Visual recognition; sparse coding; SIFT; ImageNet ID DICTIONARIES; ALGORITHM; SELECTION AB In recent years, sparse coding has drawn considerable research attention in developing feature representations for visual recognition problems. In this paper, we devise sparse coding algorithms to learn a dictionary of basis functions from Scale-Invariant Feature Transform (SIFT) descriptors extracted from images. The learned dictionary is used to code SIFT-based inputs for the feature representation that is further pooled via spatial pyramid matching kernels and fed into a Support Vector Machine (SVM) for object classification on the large-scale ImageNet dataset. We investigate the advantage of SIFT-based sparse coding approach by combining different dictionary learning and sparse representation algorithms. Our results also include favorable performance on different subsets of the ImageNet database. C1 [Ji, Zhengping; Chartrand, Rick] Los Alamos Natl Lab, Div Theoret, T5, Los Alamos, NM 87545 USA. RP Ji, ZP (reprint author), Los Alamos Natl Lab, Div Theoret, T5, POB 1663, Los Alamos, NM 87545 USA. EM jizhengp@gmail.com NR 30 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9541-9 J9 PROC SPIE PY 2013 VL 8750 AR 87500K DI 10.1117/12.2018204 PG 10 WC Optics; Physics, Applied SC Optics; Physics GA BHA32 UT WOS:000324809400017 ER PT S AU Moody, DI Smith, DA Hamlin, TD Light, TE Suszcynsky, DM AF Moody, Daniela I. Smith, David A. Hamlin, Timothy D. Light, Tess E. Suszcynsky, David M. BE Szu, HH TI Adaptive sparse signal processing of on-orbit lightning data using learned dictionaries SO INDEPENDENT COMPONENT ANALYSES, COMPRESSIVE SAMPLING, WAVELETS, NEURAL NET, BIOSYSTEMS, AND NANOENGINEERING XI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Independent Component Analyses, Compressive Sampling, Wavelets, Neural Net, Biosystems, and Nanoengineering XI CY MAY 01-03, 2013 CL Baltimore, MD SP SPIE DE lightning classification; RF learned dictionaries; sparse classification; adaptive signal processing; undercomplete dictionaries; sparse representations ID REPRESENTATION; CLASSIFICATION; SATELLITE; PURSUITS AB For the past two decades, there has been an ongoing research effort at Los Alamos National Laboratory to learn more about the Earth's radiofrequency (RF) background utilizing satellite-based RF observations of terrestrial lightning. The Fast On-orbit Recording of Transient Events (FORTE) satellite provided a rich RF lighting database, comprising of five years of data recorded from its two RF payloads. While some classification work has been done previously on the FORTE RF database, application of modern pattern recognition techniques may advance lightning research in the scientific community and potentially improve on-orbit processing and event discrimination capabilities for future satellite payloads. We now develop and implement new event classification capability on the FORTE database using state-of-the-art adaptive signal processing combined with compressive sensing and machine learning techniques. The focus of our work is improved feature extraction using sparse representations in learned dictionaries. Conventional localized data representations for RF transients using analytical dictionaries, such as a short-time Fourier basis or wavelets, can be suitable for analyzing some types of signals, but not others. Instead, we learn RF dictionaries directly from data, without relying on analytical constraints or additional knowledge about the signal characteristics, using several established machine learning algorithms. Sparse classification features are extracted via matching pursuit search over the learned dictionaries, and used in conjunction with a statistical classifier to distinguish between lightning types. We present preliminary results of our work and discuss classification scenarios and future development. C1 [Moody, Daniela I.; Smith, David A.; Hamlin, Timothy D.; Light, Tess E.; Suszcynsky, David M.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Moody, DI (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. OI Moody, Daniela/0000-0002-4452-8208 NR 25 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9541-9 J9 PROC SPIE PY 2013 VL 8750 AR 87500H DI 10.1117/12.2016160 PG 14 WC Optics; Physics, Applied SC Optics; Physics GA BHA32 UT WOS:000324809400015 ER PT S AU Anton, SR Taylor, SG Raby, EY Farinholt, KM AF Anton, S. R. Taylor, S. G. Raby, E. Y. Farinholt, K. M. BE Farinholt, KM Griffin, SF TI Powering embedded electronics for wind turbine monitoring using multi-source energy harvesting techniques SO INDUSTRIAL AND COMMERCIAL APPLICATIONS OF SMART STRUCTURES TECHNOLOGIES 2013 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Industrial and Commercial Applications of Smart Structures Technologies CY MAR 10-14, 2013 CL San Diego, CA SP SPIE, Amer Soc Mech Engineers DE Energy harvesting; multi-source; wind turbine; embedded electronics AB With a global interest in the development of clean, renewable energy, wind energy has seen steady growth over the past several years. Advances in wind turbine technology bring larger, more complex turbines and wind farms. An important issue in the development of these complex systems is the ability to monitor the state of each turbine in an effort to improve the efficiency and power generation. Wireless sensor nodes can be used to interrogate the current state and health of wind turbine structures; however, a drawback of most current wireless sensor technology is their reliance on batteries for power. Energy harvesting solutions present the ability to create autonomous power sources for small, low-power electronics through the scavenging of ambient energy; however, most conventional energy harvesting systems employ a single mode of energy conversion, and thus are highly susceptible to variations in the ambient energy. In this work, a multi-source energy harvesting system is developed to power embedded electronics for wind turbine applications in which energy can be scavenged simultaneously from several ambient energy sources. Field testing is performed on a full-size, residential scale wind turbine where both vibration and solar energy harvesting systems are utilized to power wireless sensing systems. Two wireless sensors are investigated, including the wireless impedance device (WID) sensor node, developed at Los Alamos National Laboratory (LANL), and an ultra-low power RF system-on-chip board that is the basis for an embedded wireless accelerometer node currently under development at LANL. Results indicate the ability of the multi-source harvester to successfully power both sensors. C1 [Anton, S. R.; Taylor, S. G.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. RP Anton, SR (reprint author), Los Alamos Natl Lab, Engn Inst, POB 1663, Los Alamos, NM 87545 USA. EM sranton@lanl.gov OI Raby, Eric/0000-0002-5690-5867 NR 10 TC 2 Z9 2 U1 0 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9473-3 J9 PROC SPIE PY 2013 VL 8690 AR 869007 DI 10.1117/12.2010637 PG 9 WC Engineering, Mechanical; Optics SC Engineering; Optics GA BHG02 UT WOS:000325290300007 ER PT S AU Klem, JF Kim, JK Cich, MJ Hawkins, SD Leonhardt, D Fortune, TR Coon, WT AF Klem, John F. Kim, Jin K. Cich, Michael J. Hawkins, Samuel D. Leonhardt, Darin Fortune, Torben R. Coon, Wesley T. BE Andresen, BF Fulop, GF Hanson, CM Norton, PR TI Epitaxially passivated mesa-isolated InGaAs photodetectors SO INFRARED TECHNOLOGY AND APPLICATIONS XXXIX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Infrared Technology and Applications XXXIX CY APR 29-MAY 03, 2013 CL Baltimore, MD SP SPIE DE InGaAs; photodetector; focal plane array; dark current; passivation; SWIR AB We have fabricated low-dark-current InGaAs photodetectors utilizing an epitaxial structure incorporating an InAlGaAs passivation layer and a simple mesa isolation process, and requiring no implant or diffusion steps. At 295 K, areal and perimeter dark current contributions are 15 nA/cm(2) and 9 pA/cm, respectively, in devices with large aspect ratios biased at -0.1 V. High responsivity was achieved even at zero bias in these devices. Devices were modeled using a commercial drift-diffusion simulator. Good fits to reverse dark current-voltage measurements were obtained using a model that included both bulk and interfacial generation mechanisms. Assuming similar electron and hole Shockley-Read-Hall lifetimes, dark current under small reverse bias are consistent with generation at the interface between the absorber and underlying layers. With increasing negative bias a large increase in dark current is associated with depletion near the InAlGaAs/absorber interface, while small increases in current at large reverse bias suggest long Shockley-Read-Hall lifetimes in the absorber. Forward biasing of these devices results in efficient injection of minority carrier holes into the absorber region, mimicking photogeneration and providing a method to predict the performance of illuminated detector arrays. C1 [Klem, John F.; Kim, Jin K.; Hawkins, Samuel D.; Leonhardt, Darin; Fortune, Torben R.; Coon, Wesley T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Klem, JF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jklem@sandia.gov NR 15 TC 0 Z9 0 U1 2 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9495-5 J9 PROC SPIE PY 2013 VL 8704 AR 870402 DI 10.1117/12.2016558 PG 11 WC Optics; Physics, Applied SC Optics; Physics GA BHF60 UT WOS:000325262800002 ER PT S AU Peters, DW Leonhardt, D Reinke, CM Kim, JK Wendt, JR Davids, PS Klem, JF AF Peters, David W. Leonhardt, Darin Reinke, Charles M. Kim, Jin K. Wendt, Joel R. Davids, Paul S. Klem, John F. BE Andresen, BF Fulop, GF Hanson, CM Norton, PR TI Nanoantenna-Enabled Midwave Infrared Detection SO INFRARED TECHNOLOGY AND APPLICATIONS XXXIX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Infrared Technology and Applications XXXIX CY APR 29-MAY 03, 2013 CL Baltimore, MD SP SPIE DE Midwave; infrared; focal plane array; detector; plasmon; nanoantenna AB We show simulation results of the integration of a nanoantenna in close proximity to the active material of a photodetector. The nanoantenna allows a much thinner active layer to be used for the same amount of incident light absorption. This is accomplished through the nanoantenna coupling incoming radiation to surface plasmon modes bound to the metal surface. These modes are tightly bound and only require a thin layer of active material to allow complete absorption. Moreover, the nanoantenna impedance matches the incoming radiation to the surface waves without the need for an antireflection coating. While the nanoantenna concept may be applied to any active photodetector material, we chose to integrate the nanoantenna with an InAsSb photodiode. The addition of the nanoantenna to the photodiode requires changes to the geometry of the stack beyond the simple addition of the nanoantenna and thinning the active layer. We will show simulations of the electric fields in the nanoantenna and the active region and optimized designs to maximize absorption in the active layer as opposed to absorption in the metal of the nanoantenna. We will review the fabrication processes. C1 [Peters, David W.; Leonhardt, Darin; Reinke, Charles M.; Kim, Jin K.; Wendt, Joel R.; Davids, Paul S.; Klem, John F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Peters, DW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. OI Reinke, Charles/0000-0002-5869-9817 NR 1 TC 0 Z9 0 U1 1 U2 9 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9495-5 J9 PROC SPIE PY 2013 VL 8704 AR 87043A DI 10.1117/12.2016179 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA BHF60 UT WOS:000325262800107 ER PT J AU Shim, JH Kang, S Cha, SW Lee, W Kim, YB Park, JS Gur, TM Prinz, FB Chao, CC An, JW AF Shim, Joon Hyung Kang, Sangkyun Cha, Suk-Won Lee, Wonyoung Kim, Young Beom Park, Joong Sun Guer, Turgut M. Prinz, Fritz B. Chao, Cheng-Chieh An, Jihwan TI Atomic layer deposition of thin-film ceramic electrolytes for high-performance fuel cells SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID YTTRIA-STABILIZED ZIRCONIA; SENSITIZED SOLAR-CELLS; DOPED CERIA INTERLAYERS; PEROVSKITE-TYPE OXIDE; LOW-TEMPERATURE; BARIUM ZIRCONATE; ELECTROCHEMICAL CHARACTERIZATION; PLATINUM NANOPARTICLES; SURFACE MODIFICATION; IONIC-CONDUCTIVITY AB This feature article provides a progress review of atomic layer deposition (ALD) for fabrication of oxide-ion as well as proton conducting ceramic fuel cells. A comprehensive analysis of structural, chemical, surface kinetics, and electrochemical characterization results of ALD membranes is also presented. ALD is a surface reaction limited method of depositing conformal, high quality, pinhole-free, uniform thickness nanofilms onto planar or three-dimensional structures. Deposition by one atomic layer at a time also affords unprecedented opportunities to engineer surface termination, to form compositionally graded structures or graded doping, and to synthesize metastable phases that cannot be realized otherwise. Indeed, thin ceramic electrolyte membranes made by ALD exhibit enhanced surface exchange kinetics, reduced ohmic losses, and superior fuel cell performance as high as 1.34 W cm(-2) at 500 degrees C. More importantly, ALD offers the opportunity to design and engineer surface structures at the atomic scale targeting improved performance of not only ceramic fuel cells, but also electrochemical sensors, electrolysers and pumps. C1 [Shim, Joon Hyung] Korea Univ, Dept Mech Engn, Seoul 136713, South Korea. [Kang, Sangkyun] Hanchang Ind Co Ltd, Hwasung Si, Gyeonggi Do, South Korea. [Cha, Suk-Won] Seoul Natl Univ, Sch Mech & Aerosp Engn, Seoul, South Korea. [Lee, Wonyoung] Sungkyunkwan Univ, Sch Mech Engn, Suwon 440746, Gyeonggi Do, South Korea. [Kim, Young Beom] Hanyang Univ, Dept Mech Engn, Seoul 133791, South Korea. [Park, Joong Sun] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Guer, Turgut M.; Prinz, Fritz B.] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Prinz, Fritz B.; Chao, Cheng-Chieh; An, Jihwan] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. RP Shim, JH (reprint author), Korea Univ, Dept Mech Engn, Seoul 136713, South Korea. EM shimm@korea.ac.kr; .p@cdr.stanford.edu RI Lee, Wonyoung/C-5718-2014 FU National Research Foundation (NRF) of the Korean Ministry of Education, Science, and Technology (MEST) [2012-0005869]; Fusion Research Program for Green Technologies [2012-0006191]; Basic Science Research Program through the National Research Foundation (NRF) of Korea; Ministry of Education, Science, and Technology [NRF-2009-0083495]; Center on Nanostructuring for Efficient Energy Conversion (CNEEC) at Stanford University, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001060] FX J. H. Shim is grateful to the National Research Foundation (NRF) of the Korean Ministry of Education, Science, and Technology (MEST) (Grant no. 2012-0005869) and the Fusion Research Program for Green Technologies (Grant no. 2012-0006191) for their financial support. S.-W. Cha thanks the Basic Science Research Program for its financial support through the National Research Foundation (NRF) of Korea funded by the Ministry of Education, Science, and Technology (Grant no. NRF-2009-0083495). T. M. G. and F. B. P. gratefully acknowledge partial support from the Center on Nanostructuring for Efficient Energy Conversion (CNEEC) at Stanford University, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001060. NR 134 TC 33 Z9 33 U1 8 U2 116 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 41 BP 12695 EP 12705 DI 10.1039/c3ta11399j PG 11 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 231JP UT WOS:000325413000001 ER PT J AU Yeh, TM Wang, Z Mahajan, D Hsiao, BS Chu, B AF Yeh, Tsung-Ming Wang, Zhe Mahajan, Devinder Hsiao, Benjamin S. Chu, Benjamin TI High flux ethanol dehydration using nanofibrous membranes containing graphene oxide barrier layers SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID COMPOSITE ULTRAFILTRATION MEMBRANES; WATER-PURIFICATION; SCATTERING; CHANNELS; FILMS AB In this study, pristine multilayered graphene oxide (GO) was coated by established methods onto a thin-film nanofibrous composite (TFNC) mat to form a high flux membrane for ethanol dehydration. The thickness of the GO layer was controlled from 90 to 300 nm by taking advantage of the self-assembly behavior of GO sheets. The low transfer barrier of the TFNC mat provides a distinct advantage due to its large bulk porosity (80%) with fully interconnected pore structures. Ethanol dehydration experiments showed that a 93 nm thick GO membrane had a permeate flux of 2.2 (kg m(-2) h(-1)) and a separation factor of 308 with a feed solution containing 80 wt% ethanol and 20% water at 70 degrees C, making the GO-TFNC system superior to commercial polymeric membranes. For example, the permeate flux of GO-TFNC is twice as high as that of the polyvinyl alcohol (PVA)-based commercial membrane. The morphology of the GO-TFNC membrane and the mechanism of water transport in the GO layer were also elucidated using SEM, TEM and grazing incidence wide-angle X-ray scattering (GIWAXS) techniques. C1 [Yeh, Tsung-Ming; Mahajan, Devinder] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Mahajan, Devinder] Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA. [Wang, Zhe; Hsiao, Benjamin S.; Chu, Benjamin] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. RP Chu, B (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM benjamin.chu@stonybrook.edu FU National Science Foundation (NSF) Center for Bioenergy Research and Development (CBERD); Industry/University Cooperative Research (I/UCRC) Program FX This research was conducted at Stony Brook University and supported by the National Science Foundation (NSF) Center for Bioenergy Research and Development (CBERD), funded through the Industry/University Cooperative Research (I/UCRC) Program. The authors acknowledge and appreciate the assistance of Bingfei Cao for the XRD measurement, Dr Yimin Mao for the GIWAXS experiment and analysis, and Dr Christian Burger for the modeling analysis and schematics. NR 24 TC 25 Z9 25 U1 8 U2 78 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 EI 2050-7496 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 41 BP 12998 EP 13003 DI 10.1039/c3ta12480k PG 6 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 231JP UT WOS:000325413000040 ER PT S AU Huang, LJ Labyed, Y Hanson, K Sandoval, D Pohl, J Williamson, M AF Huang, Lianjie Labyed, Yassin Hanson, Kenneth Sandoval, Daniel Pohl, Jennifer Williamson, Michael BE Bosch, JG Doyley, MM TI Detecting breast microcalcifications using super-resolution ultrasound imaging: A clinical study SO MEDICAL IMAGING 2013: ULTRASONIC IMAGING, TOMOGRAPHY, AND THERAPY SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Ultrasonic Imaging, Tomography, and Therapy CY FEB 12-14, 2013 CL Lake Buena Vista, FL SP SPIE, Aeroflex Inc, Univ Cent Florida, CREOL Coll Opt & Photon, DQE Instruments Inc, Medtronic Inc, PIXELTEQ DE Breast microcalcification; multiple-signal-classification; phase-coherent; super-resolution; synthetic-aperture ultrasound; ultrasound imaging ID VIBRO-ACOUSTOGRAPHY; APERTURE; TARGETS AB Imaging breast microcalcifications is crucial for early detection and diagnosis of breast cancer. It is challenging for current clinical ultrasound to image breast microcalcifications. However, new imaging techniques using data acquired with a synthetic-aperture ultrasound system have the potential to significantly improve ultrasound imaging. We recently developed a super-resolution ultrasound imaging method termed the phase-coherent multiple-signal-classification (PC-MUSIC). This signal subspace method accounts for the phase response of transducer elements to improve image resolution. In this paper, we investigate the clinical feasibility of our super-resolution ultrasound imaging method for detecting breast microcalcifications. We use our custom-built, real-time synthetic-aperture ultrasound system to acquire breast ultrasound data for 40 patients whose mammograms show the presence of breast microcalcifications. We apply our super-resolution ultrasound imaging method to the patient data, and produce clear images of breast calcifications. Our super-resolution ultrasound PC-MUSIC imaging with synthetic-aperture ultrasound data can provide a new imaging modality for detecting breast microcalcifications in clinic without using ionizing radiation. C1 [Huang, Lianjie; Labyed, Yassin; Hanson, Kenneth] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Huang, LJ (reprint author), Los Alamos Natl Lab, MS D452, Los Alamos, NM 87545 USA. EM ljh@lanl.gov NR 33 TC 5 Z9 5 U1 0 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9449-8 J9 PROC SPIE PY 2013 VL 8675 AR 86751O DI 10.1117/12.2007653 PG 10 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BHF69 UT WOS:000325266100052 ER PT S AU Lin, YZ Huang, LJ AF Lin, Youzuo Huang, Lianjie BE Bosch, JG Doyley, MM TI Ultrasound waveform tomography with a modified total-variation regularization scheme SO MEDICAL IMAGING 2013: ULTRASONIC IMAGING, TOMOGRAPHY, AND THERAPY SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Ultrasonic Imaging, Tomography, and Therapy CY FEB 12-14, 2013 CL Lake Buena Vista, FL SP SPIE, Aeroflex Inc, Univ Cent Florida, CREOL Coll Opt & Photon, DQE Instruments Inc, Medtronic Inc, PIXELTEQ DE Breast tumor; edge preserving; modified total-variation regularization; sound speed; ultrasound reflection; ultrasound transmission; ultrasound waveform tomography ID IMAGE-RESTORATION AB Early detection of breast cancer is the key to reducing the cancer mortality rate. With increasing computational power, waveform inversion becomes feasible for high-resolution ultrasound tomography. Because of the limited measurement geometry, ultrasound waveform tomography is usually ill-posed, which requires certain computational methodologies to stabilize waveform inversion. We develop a new ultrasound waveform tomography method using a modified total-variation regularization for detecting and characterizing small breast tumors. To solve the minimization problem, we use an alternating-minimization algorithm in which the original optimization is equivalently decomposed into two simple subproblems. We use numerical breast-phantom data to demonstrate the improved capability of our new tomography method for accurately reconstructs the sound-speed values and shapes of small tumors. C1 [Lin, Youzuo; Huang, Lianjie] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Huang, LJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ylin@lanl.gov; ljh@lanl.gov NR 11 TC 8 Z9 8 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9449-8 J9 PROC SPIE PY 2013 VL 8675 AR 86751F DI 10.1117/12.2007650 PG 9 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BHF69 UT WOS:000325266100044 ER PT S AU Zhang, ZG Huang, LJ AF Zhang, Zhigang Huang, Lianjie BE Bosch, JG Doyley, MM TI Ultrasound waveform tomography using wave-energy-based preconditioning SO MEDICAL IMAGING 2013: ULTRASONIC IMAGING, TOMOGRAPHY, AND THERAPY SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Ultrasonic Imaging, Tomography, and Therapy CY FEB 12-14, 2013 CL Lake Buena Vista, FL SP SPIE, Aeroflex Inc, Univ Cent Florida, CREOL Coll Opt & Photon, DQE Instruments Inc, Medtronic Inc, PIXELTEQ DE Breast tumor; ultrasound imaging; ultrasound waveform tomography; wave-energy-based preconditioning ID INVERSION AB Ultrasound waveform tomography using the conjugate gradient method produces images with different qualities in different regions of the imaging domain, partly because the ultrasound wave energy is dominant around transducer elements. In addition, this uneven distribution of the wave energy slows down the convergence of the inversion. Using the Hessian matrix to scale the gradients in waveform inversion can reduce the artifacts caused by the geometrical spreading and the defocusing effect resulting from the incomplete data coverage. However, it is computationally expensive to calculate the Hessian matrix. We develop a new ultrasound waveform tomography method that weights the gradient with the ultrasound wave energies of the forward and backward propagation wavefields. Our new method balances the wave energy distribution throughout the entire imaging domain. This method scales the gradients using the square root of the wave energy of forward propagated wavefields from sources and that of backpropagated synthetic wavefields from receivers. We numerically demonstrate that this new ultrasound waveform tomography method improves sound-speed reconstructions of breast tumors and accelerates the convergence of ultrasound waveform tomography. C1 [Zhang, Zhigang; Huang, Lianjie] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Huang, LJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM zzhang@lanl.gov; ljh@lanl.gov NR 5 TC 8 Z9 8 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9449-8 J9 PROC SPIE PY 2013 VL 8675 AR 86751G DI 10.1117/12.2007659 PG 11 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BHF69 UT WOS:000325266100045 ER PT J AU Snijders, PC Gao, M Guo, HW Cao, GX Siemons, W Gao, HJ Ward, TZ Shen, J Gai, Z AF Snijders, Paul C. Gao, Min Guo, Hangwen Cao, Guixin Siemons, Wolter Gao, Hongjun Ward, Thomas Z. Shen, Jian Gai, Zheng TI A persistent metal-insulator transition at the surface of an oxygen-deficient, epitaxial manganite film SO NANOSCALE LA English DT Article ID DOPED MANGANITES; PHASE-SEPARATION; OXIDES; INTERFACE; TRANSPORT AB The oxygen stoichiometry has a large influence on the physical and chemical properties of complex oxides. Most of the functionality in e. g. catalysis and electrochemistry depends in particular on control of the oxygen stoichiometry. In order to understand the fundamental properties of intrinsic surfaces of oxygen-deficient complex oxides, we report on in situ temperature dependent scanning tunnelling spectroscopy experiments on pristine oxygen deficient, epitaxial manganite films. Although these films are insulating in subsequent ex situ in-plane electronic transport experiments at all temperatures, in situ scanning tunnelling spectroscopic data reveal that the surface of these films exhibits a metal-insulator transition (MIT) at 120 K, coincident with the onset of ferromagnetic ordering of small clusters in the bulk of the oxygen-deficient film. The surprising proximity of the surface MIT transition temperature of nonstoichiometric films with that of the fully oxygenated bulk suggests that the electronic properties in the surface region are not significantly affected by oxygen deficiency in the bulk. This carries important implications for the understanding and functional design of complex oxides and their interfaces with specific electronic properties in catalysis, oxide electronics and electrochemistry. C1 [Snijders, Paul C.; Gao, Min; Guo, Hangwen; Siemons, Wolter; Ward, Thomas Z.; Gai, Zheng] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Gao, Min; Gao, Hongjun] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Cao, Guixin; Gai, Zheng] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Shen, Jian] Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China. [Shen, Jian] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. RP Gai, Z (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM gaiz@ornl.gov RI Gai, Zheng/B-5327-2012; Cao, Guixin/G-4452-2015; Ward, Thomas/I-6636-2016; gao, min/F-4825-2015 OI Gai, Zheng/0000-0002-6099-4559; Cao, Guixin/0000-0002-9252-1158; Ward, Thomas/0000-0002-1027-9186; FU U.S. DOE, BES; National Basic Research Program of China (973 Program) [2011CB921801] FX We acknowledge fruitful discussions with S. Dong and C. Sen. This effort was supported by the U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials Sciences and Engineering Division (PCS, MG, HWG, WS, TZW, ZG). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by U.S. DOE, BES (GC, ZG). We also acknowledge partial funding support from the National Basic Research Program of China (973 Program) under the grant no. 2011CB921801 (JS). NR 50 TC 1 Z9 1 U1 1 U2 29 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 20 BP 9659 EP 9665 DI 10.1039/c3nr02343e PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 226AC UT WOS:000325005500031 PM 23979041 ER PT J AU Shen, SH Guo, PH Wheeler, DA Jiang, JG Lindley, SA Kronawitter, CX Zhang, JZ Guo, LJ Mao, SS AF Shen, Shaohua Guo, Penghui Wheeler, Damon A. Jiang, Jiangang Lindley, Sarah A. Kronawitter, Coleman X. Zhang, Jin Z. Guo, Liejin Mao, Samuel S. TI Physical and photoelectrochemical properties of Zr-doped hematite nanorod arrays SO NANOSCALE LA English DT Article ID SOLAR WATER OXIDATION; ALPHA-FE2O3 NANOWIRES; THIN-FILMS; PHOTOANODES; PERFORMANCE; PURE; NANOSTRUCTURES; ELECTRODES; OXIDES; CR AB This work examines the effect of Zr4+ ions on the physical and photoelectrochemical (PEC) properties of hematite (alpha-Fe2O3) nanorod arrays grown in an aqueous solution containing zirconyl nitrate (ZrO(NO3)(2)) as a dopant precursor. The concentration of ZrO(NO3)(2) in the precursor solution influenced both the film thickness and the Zr4+ concentration in the resulting films. Zr doping was found to enhance the photocurrent for water splitting; the highest photocurrent at 1.0 V vs. Ag/AgCl (0.33 mA cm(-2)) for the Zr-doped alpha-Fe2O3 film was approximately 7.2 times higher than that for the undoped film (0.045 mA cm(-2)). Additionally, the incident photon to current efficiency (IPCE) at 360 nm and 1.23 V vs. the reversible hydrogen electrode (RHE) increased from 3.8% to 13.6%. Ultrafast transient absorption spectroscopy suggests that Zr doping may influence PEC performance by reducing the rate of electron-hole recombination. C1 [Shen, Shaohua; Guo, Penghui; Jiang, Jiangang; Guo, Liejin] Xi An Jiao Tong Univ, Int Res Ctr Renewable Energy, State Key Lab Multiphase Flow Power Engn, Xian 710049, Shaanxi, Peoples R China. [Shen, Shaohua; Kronawitter, Coleman X.; Mao, Samuel S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Dept Mech Engn, Berkeley, CA 94720 USA. [Wheeler, Damon A.; Lindley, Sarah A.; Zhang, Jin Z.] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. RP Shen, SH (reprint author), Xi An Jiao Tong Univ, Int Res Ctr Renewable Energy, State Key Lab Multiphase Flow Power Engn, Xian 710049, Shaanxi, Peoples R China. EM shshen_xjtu@mail.xjtu.edu.cn; ssmao@lbl.gov RI Shen, Shaohua/E-9507-2011 FU National Natural Science Foundation of China [51102194, 51121092]; Doctoral Program of the Ministry of Education [20110201120040]; National Basic Research Program of China [2009CB220000]; "Fundamental Research Funds for the Central Universities"; W. M. Keck Center for Nanoscale Opto-fluidics at UC Santa Cruz; U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy FX The authors gratefully acknowledge the financial support of the National Natural Science Foundation of China (no. 51102194, no. 51121092), the Doctoral Program of the Ministry of Education (no. 20110201120040) and the National Basic Research Program of China (no. 2009CB220000). S. Shen is supported by the "Fundamental Research Funds for the Central Universities". S. A. Lindley acknowledges support from the W. M. Keck Center for Nanoscale Opto-fluidics at UC Santa Cruz. This research has also been partially supported by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy. NR 50 TC 26 Z9 26 U1 4 U2 130 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 20 BP 9867 EP 9874 DI 10.1039/c3nr03245k PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 226AC UT WOS:000325005500057 PM 23974247 ER PT J AU Liu, HJ Dai, S Jiang, DE AF Liu, Hongjun Dai, Sheng Jiang, De-en TI Insights into CO2/N-2 separation through nanoporous graphene from molecular dynamics SO NANOSCALE LA English DT Article ID CARBON-DIOXIDE CAPTURE; POROUS GRAPHENE; ISOTOPE-SEPARATION; GAS SEPARATION; MEMBRANES; TRANSPORT AB We show from molecular dynamics simulations that porous graphene of a certain pore size can efficiently separate carbon dioxide from nitrogen with high permeance, in agreement with the recent experimental finding (Koenig et al., Nat. Nanotechnol., 2012, 7, 728-732). The high selectivity is reflected in the much higher number of CO2 passing-through events than that of N-2 from the trajectories. The simulated CO2 permeance is on the order of magnitude of 10(5) GPU (gas permeation unit). The selective trend is further corroborated by the free energy barriers of permeation. The predicted CO2/N-2 selectivity is around 300. Overall, the combination of high CO2 flux and high CO2/N-2 selectivity makes nanoporous graphene a promising membrane for post-combustion CO2 separation. C1 [Liu, Hongjun; Dai, Sheng; Jiang, De-en] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Jiang, DE (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM jiangd@ornl.gov RI Jiang, De-en/D-9529-2011; Liu, Hongjun /A-2100-2012; Dai, Sheng/K-8411-2015 OI Jiang, De-en/0000-0001-5167-0731; Liu, Hongjun /0000-0003-3326-2640; Dai, Sheng/0000-0002-8046-3931 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, 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 Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. This research used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 32 TC 36 Z9 36 U1 3 U2 97 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 20 BP 9984 EP 9987 DI 10.1039/c3nr02852f PG 4 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 226AC UT WOS:000325005500073 PM 23990030 ER PT J AU Adhikary, P Venkatesan, S Adhikari, N Maharjan, PP Adebanjo, O Chen, JH Qiao, QQ AF Adhikary, Prajwal Venkatesan, Swaminathan Adhikari, Nirmal Maharjan, Purna P. Adebanjo, Olusegun Chen, Jihua Qiao, Qiquan TI Enhanced charge transport and photovoltaic performance of PBDTTT-C-T/PC70BM solar cells via UV-ozone treatment SO NANOSCALE LA English DT Article ID ZNO; OXIDE; NANOSTRUCTURES; DEPOSITION; DEVICES; GROWTH AB In this work, the electron transport layer of PBDTTT-C-T/PC70BM polymer solar cells were subjected to UV-ozone treatment, leading to improved cell performances from 6.46% to 8.34%. The solar cell efficiency reached a maximum of 8.34% after an optimal 5 minute UV-ozone treatment, and then decreased if treated for a longer time. To the best of our knowledge, the mechanism behind the effects of UV-ozone treatment on the improvement of charge transport and cell performance is not fully understood. We have developed a fundamental understanding of the UV-ozone treatment mechanism, which explains both the enhancements in charge transport and photovoltaic performance at an optimal treatment time, and also the phenomenon whereby further treatment time leads to a drop in cell efficiency. Transient photocurrent measurements indicated that the cell charge transport times were 1370 ns, 770 ns, 832 ns, 867 ns, and 1150 ns for the 0 min, 5 min, 10 min, 15 min, and 20 min UV-ozone treatment times, respectively. Therefore the 5 min UV-ozone treatment time led to the shortest transport time and the most efficient charge transport in the cells. The 5 min UV-ozone treated sample exhibited the highest peak intensity (E-2) in the Raman spectra of the treated films, at about 437 cm(-1), indicating that it possessed the best wurtzite phase crystallinity of the ZnO films. Further increasing the UV-ozone treatment time from 5 to 20 min induced the formation of p-type defects (e. g. interstitial oxygen atoms), pushing the ZnO Fermi-level further away from the vacuum level, and decreasing the wurtzite crystallinity. C1 [Adhikary, Prajwal; Venkatesan, Swaminathan; Adhikari, Nirmal; Maharjan, Purna P.; Adebanjo, Olusegun; Qiao, Qiquan] S Dakota State Univ, Dept Elect Engn & Comp Sci, Ctr Adv Photovolta, Brookings, SD 57007 USA. [Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Qiao, QQ (reprint author), S Dakota State Univ, Dept Elect Engn & Comp Sci, Ctr Adv Photovolta, Brookings, SD 57007 USA. EM Qiquan.qiao@sdstate.edu RI Venkatesan, Swaminathan/D-8809-2014; Chen, Jihua/F-1417-2011 OI Venkatesan, Swaminathan/0000-0003-2213-0255; Chen, Jihua/0000-0001-6879-5936 FU NSF CAREER Program [ECCS-0950731]; NSF/EPSCoR program [0903804]; State of South Dakota; Agilent Foundation; SD BoR seed grant; Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was partially supported by NSF CAREER Program (ECCS-0950731), NSF/EPSCoR program (Grant no. 0903804) and by the State of South Dakota, Agilent Foundation and SD BoR seed grant. P. A. acknowledges Sandeep Mahat and Prajwal Bikram Thapa for their help to collect some characterization data. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy. NR 27 TC 28 Z9 28 U1 1 U2 33 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 20 BP 10007 EP 10013 DI 10.1039/c3nr03355d PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 226AC UT WOS:000325005500077 PM 23994892 ER PT S AU Tauke-Pedretti, A Vawter, GA Skogen, EJ Peake, G Overberg, M Alford, C Torres, D Cajas, F AF Tauke-Pedretti, A. Vawter, G. A. Skogen, E. J. Peake, G. Overberg, M. Alford, C. Torres, D. Cajas, F. BE Eldada, LA Lee, E TI InP Tunable Ring Resonator Filters SO OPTOELECTRONIC INTEGRATED CIRCUITS XV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Optoelectronic Integrated Circuits XV CY FEB 06-07, 2013 CL San Francisco, CA SP SPIE DE Semiconductor optical amplifiers; Integrated optoelectronic circuits; Wavelength filtering devices; Optical resonators AB Optical channelizing filters with narrow linewidth are of interest for optical processing of microwave signals. Fabrication tolerances make it difficult to place exactly the optical resonance frequency within the microwave spectrum as is required for many applications. Therefore, efficient tuning of the filter resonance is essential. In this paper we present a tunable ring resonator filter with an integrated semiconductor optical amplifier (SOA) fabricated on an InP-based photonic integrated circuit (PIC) platform. The ring resonance is tuned over 37 GHz with just 0.2 mA of current injection into a passive phase section. The use of current injection is often more efficient than thermal tuning using heaters making them useful for low-power applications. The single active ring resonator has an electrical FWHM of 1.5 GHz and shows greater than 16 dB of extinction between on and off resonance. The effects of SOA internal ring gain and induced passive loss on extinction and linewidth will be shown. Agreement between experimentally demonstrated devices and simulations are shown. The integration of the active and passive regions is done using quantum well intermixing and the resonators utilize buried heterostructure waveguides. The fabrication process of these filters is compatible with the monolithic integration of DBR lasers and high speed modulators enabling single chip highly-functional PICs for the channelizing of RF signals. C1 [Tauke-Pedretti, A.; Vawter, G. A.; Skogen, E. J.; Peake, G.; Overberg, M.; Alford, C.; Cajas, F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Tauke-Pedretti, A (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ataukep@sandia.gov NR 9 TC 0 Z9 0 U1 4 U2 9 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9397-2 J9 PROC SPIE PY 2013 VL 8628 AR 86280O DI 10.1117/12.999288 PG 7 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BHG51 UT WOS:000325344900014 ER PT J AU Shao, M He, YJ Hong, KL Rouleau, CM Geohegan, DB Xiao, K AF Shao, Ming He, Youjun Hong, Kunlun Rouleau, Christopher M. Geohegan, David B. Xiao, Kai TI A water-soluble polythiophene for organic field-effect transistors SO POLYMER CHEMISTRY LA English DT Article ID LIGHT-EMITTING-DIODES; POLYMER SOLAR-CELLS; CONJUGATED POLYMERS; ELECTRON-INJECTION; OPTICAL-PROPERTIES; CHAIN-LENGTH; THIN-FILM; MOBILITY; PERFORMANCE; MORPHOLOGY AB Synthesis of a non-ionic, water-soluble poly(thiophene) (PT) derivative, poly(3-(2-(2-(2-methoxyethoxy)ethoxy) ethoxy) methylthiophene) (P3TEGT) with a hydrophilic tri-ethylene glycol side group, is reported and thin films of the polymer suitable for organic field-effect transistors (OFETs) are characterized by combining analysis techniques that include UV-Vis absorption and fluorescence spectroscopy, X-ray diffraction, and atomic force microscopy. After thermal annealing, P3TEGT films exhibit a well-organized nanofibrillar lamellar nanostructure that originates from the strong pi-pi stacking of the thiophene backbones. P-type organic field-effect transistors (OFETs) with hole mobilities of 10(-5) cm(2) V-1 s(-1) were fabricated from this water-soluble poly(thiophene) derivative, demonstrating the possibility that environmentally friendly solvents may be promising alternatives for the low-cost, green solvent processed organic electronic device manufacturing of OFETs, organic photovoltaics (OPVs), and biosensors. C1 [Shao, Ming; He, Youjun; Hong, Kunlun; Rouleau, Christopher M.; Geohegan, David B.; Xiao, Kai] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Xiao, K (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM xiaok@ornl.gov RI Rouleau, Christopher/Q-2737-2015; Geohegan, David/D-3599-2013; Hong, Kunlun/E-9787-2015 OI Rouleau, Christopher/0000-0002-5488-3537; Geohegan, David/0000-0003-0273-3139; Hong, Kunlun/0000-0002-2852-5111 FU Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy FX This research was conducted at the Center for Nanophase Materials Sciences (CNMS), which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy, managed by UT-Battelle, LLC, for the U.S. Department of Energy. NR 28 TC 28 Z9 28 U1 6 U2 34 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1759-9954 J9 POLYM CHEM-UK JI Polym. Chem. PY 2013 VL 4 IS 20 BP 5270 EP 5274 DI 10.1039/c2py21020g PG 5 WC Polymer Science SC Polymer Science GA 231GT UT WOS:000325404800016 ER PT J AU Darling, SB You, FQ AF Darling, Seth B. You, Fengqi TI The case for organic photovoltaics SO RSC ADVANCES LA English DT Review ID POLYMER SOLAR-CELLS; POWER CONVERSION EFFICIENCIES; LIFE-CYCLE ASSESSMENT; HIGH-PERFORMANCE; ENERGY PAYBACK; DEVICES; FUTURE; DISSOCIATION; MORPHOLOGY; LIFETIMES AB Increasing demand for energy worldwide, driven largely by the developing world, coupled with the tremendous hidden costs associated with traditional energy sources necessitates an unprecedented fraction of the future global energy mix come from sustainable, renewable sources. The potential solar energy resource dwarfs that of all other renewable sources combined, yet only two photovoltaic technologies are known to have the potential to be scaled up to make dramatic impact on the overall energy mix: silicon and organic photovoltaics. In this paper, we present the long-term sustainability advantages of organics when compared to silicon and other photovoltaic technologies in terms of energy payback time and global warming potential while also discussing the outlook for transitional applications of organic solar cells. C1 [Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA. [Darling, Seth B.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [You, Fengqi] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL USA. RP Darling, SB (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Lemont, IL 60439 USA. EM darling@anl.gov RI You, Fengqi/F-6894-2011; You, Fengqi/B-5040-2011 OI You, Fengqi/0000-0001-9609-4299 FU Initiative for Sustainability and Energy at Northwestern (ISEN); Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357] FX The authors gratefully acknowledge the financial support from the Initiative for Sustainability and Energy at Northwestern (ISEN). This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract No. DE-AC02-06CH11357. NR 77 TC 244 Z9 244 U1 13 U2 163 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 39 BP 17633 EP 17648 DI 10.1039/c3ra42989j PG 16 WC Chemistry, Multidisciplinary SC Chemistry GA 229OB UT WOS:000325275300002 ER PT J AU Xu, Y Chen, G Fu, EG Zhou, M Dunwell, M Fei, L Deng, SG Andersen, P Wang, YQ Jia, QX Luo, HM AF Xu, Yun Chen, Gen Fu, Engang Zhou, Meng Dunwell, Marco Fei, Ling Deng, Shuguang Andersen, Paul Wang, Yongqiang Jia, Quanxi Luo, Hongmei TI Nickel substituted LiMn2O4 cathode with durable high-rate capability for Li-ion batteries SO RSC ADVANCES LA English DT Article ID POLYMER-ASSISTED-DEPOSITION; ELECTROCHEMICAL PROPERTIES; SPINEL LIMN2O4; CYCLING PERFORMANCE; LITHIUM SECONDARY; DOPED LIMN2O4; COMPOSITE; NANORODS; RANGE AB Spinel LiMn2-xNixO4 (x = 0, 0.1, 0.2) nanoparticles were prepared through a simple one-step polymer-assisted chemical solution method. When x = 0.1, the cathode exhibited the best durable rate capability, with 100% of the capacity retained (similar to 100 mAh g(-1)) after 400 cycles at 10 C current rate. The excellent cyclability and rate capability originate from the thin carbon layer automatically formed from incomplete depolymerisation of polymers and the improved conductivity due to the nickel dopant. The improved conductivity was confirmed by less polarization at high current rate. C1 [Xu, Yun; Chen, Gen; Zhou, Meng; Dunwell, Marco; Fei, Ling; Deng, Shuguang; Andersen, Paul; Luo, Hongmei] New Mexico State Univ, Dept Chem Engn, Las Cruces, NM 88003 USA. [Fu, Engang] Peking Univ, Sch Phys, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Wang, Yongqiang] Los Alamos Natl Lab, Mat Sci Technol Div, Los Alamos, NM 87544 USA. [Jia, Quanxi] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Luo, HM (reprint author), New Mexico State Univ, Dept Chem Engn, Las Cruces, NM 88003 USA. EM hluo@nmsu.edu RI Deng, Shuguang/G-5926-2011; Jia, Q. X./C-5194-2008; CHEN, GEN/K-9436-2014 OI Deng, Shuguang/0000-0003-2892-3504; CHEN, GEN/0000-0003-3504-3572 FU NSF/CMMI NanoManufacturing Program [1131290]; New Mexico Consortium; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX HL acknowledges the funding support from NSF/CMMI NanoManufacturing Program under Grant No. 1131290 and New Mexico Consortium. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. 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 38 TC 12 Z9 12 U1 1 U2 24 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 40 BP 18441 EP 18445 DI 10.1039/c3ra42223b PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 226AM UT WOS:000325006600033 ER PT J AU Soelberg, NR Garn, TG Greenhalgh, MR Law, JD Jubin, R Strachan, DM Thallapally, PK AF Soelberg, Nick R. Garn, Troy G. Greenhalgh, Mitchell R. Law, Jack D. Jubin, Robert Strachan, Denis M. Thallapally, Praveen K. TI Radioactive Iodine and Krypton Control for Nuclear Fuel Reprocessing Facilities SO SCIENCE AND TECHNOLOGY OF NUCLEAR INSTALLATIONS LA English DT Article ID METAL-ORGANIC FRAMEWORKS; MOLECULAR-SIEVE; NOBLE-GASES; ADSORPTION; MORDENITE; RECOVERY; REMOVAL AB The removal of volatile radionuclides generated during used nuclear fuel reprocessing in the US is almost certain to be necessary for the licensing of a reprocessing facility in the US. Various control technologies have been developed, tested, or used over the past 50 years for control of volatile radionuclide emissions from used fuel reprocessing plants. The US DOE has sponsored, since 2009, an Off-gas Sigma Team to perform research and development focused on the most pressing volatile radionuclide control and immobilization problems. In this paper, we focus on the control requirements and methodologies for Kr-85 and I-129. Numerous candidate technologies have been studied and developed at laboratory and pilot-plant scales in an effort to meet the need for high iodine control efficiency and to advance alternatives to cryogenic separations for krypton control. Several of these show promising results. Iodine decontamination factors as high as 10(5), iodine loading capacities, and other adsorption parameters including adsorption rates have been demonstrated under some conditions for both silver zeolite (AgZ) and Ag-functionalized aerogel. Sorbents, including an engineered form of AgZ and selected metal organic framework materials (MOFs), have been successfully demonstrated to capture Kr and Xe without the need for separations at cryogenic temperatures. C1 [Soelberg, Nick R.; Garn, Troy G.; Greenhalgh, Mitchell R.; Law, Jack D.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Jubin, Robert] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Strachan, Denis M.; Thallapally, Praveen K.] Pacific NW Natl Lab, Richland, WA 99252 USA. RP Soelberg, NR (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM nick.soelberg@inl.gov RI thallapally, praveen/I-5026-2014; OI thallapally, praveen/0000-0001-7814-4467; Law, Jack/0000-0001-7085-7542 NR 62 TC 20 Z9 20 U1 7 U2 67 PU HINDAWI LTD PI LONDON PA ADAM HOUSE, 3RD FLR, 1 FITZROY SQ, LONDON, WIT 5HE, ENGLAND SN 1687-6075 EI 1687-6083 J9 SCI TECHNOL NUCL INS JI Sci. Technol. Nucl. Install. PY 2013 AR 702496 DI 10.1155/2013/702496 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 226GU UT WOS:000325023800001 ER PT S AU Du Frane, WL Woo, LY Glass, RS Novak, RF Visser, JH AF Du Frane, Wyatt L. Woo, Leta Y. Glass, Robert S. Novak, Robert F. Visser, Jaco H. BE Carter, MT Aguilar, ZP Ward, B Wu, N TI Substrate Effects on an Electrochemical NOx Sensor Based on Porous Y2O3-Stabilized ZrO2 (YSZ) and Sr-doped LaMnO3 (LSM) SO SENSORS, ACTUATORS, AND MICROSYSTEMS (GENERAL) - 221ST ECS MEETING SE ECS Transactions LA English DT Proceedings Paper CT Symposium on Sensors, Actuators, and Microsystems General Session held during the 221st Meeting of the Electrochemical-Society (ECS) CY MAY 06-10, 2012 CL Seattle, WA SP Electrochem Soc, Sensor ID ELECTROLYTE AB Previous work has demonstrated the potential for high-performance, low-cost NOx (NO and NO2) solid-state electrochemical sensors based on porous Y2O3-stabilized zirconia (YSZ) electrolyte and dense Sr-doped LaMnO3 electrodes using an impedancemetric measurement approach. However, microcracking in the YSZ electrolyte has been observed after processing at 1000 degrees C, which can impact sensor stability and lifetime. The microcracking results from mismatch in the coefficients of thermal expansion of the YSZ electrolyte and the alumina (Al2O3) substrates used in these cells. The effects of microcracking were investigated by comparing the performances of sensors built on three different substrates with different thermal mismatch characteristics with the YSZ electrolyte: 1) Al2O3, 2) YSZ, and 3) Al2O3 coated YSZ. Microcracking in the YSZ electrolyte was only evident with the Al2O3 substrates, but this had no discernible effect on the performance of the NOx sensor on the experimental timescales employed. C1 [Du Frane, Wyatt L.; Woo, Leta Y.; Glass, Robert S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Novak, Robert F.; Visser, Jaco H.] Ford Motor Co, Dearborn, MI 48126 USA. RP Du Frane, WL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. Special acknowledgement is give to Jerry Gibbs, U. S. Department of Energy for continued support for this work. NR 7 TC 0 Z9 0 U1 0 U2 10 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-60768-371-1; 978-1-62332-020-1 J9 ECS TRANSACTIONS PY 2013 VL 45 IS 14 BP 3 EP 11 DI 10.1149/04514.0003ecst PG 9 WC Electrochemistry; Instruments & Instrumentation SC Electrochemistry; Instruments & Instrumentation GA BHF12 UT WOS:000325215100001 ER PT J AU Hedges, LO Whitelam, S AF Hedges, Lester O. Whitelam, Stephen TI Selective nucleation in porous media SO SOFT MATTER LA English DT Article ID 3-DIMENSIONAL ISING-MODEL; SIMULATIONS; SURFACE AB Geometrical arguments suggest that pore-mediated nucleation happens in general in a two-step fashion, the first step being nucleation within the pore, the second being nucleation from the filled pore into solution [Page and Sear, Phys. Rev. Lett., 2006, 97, 65701]. The free energy barriers controlling the two steps of this process show opposite dependencies on pore size, implying that for given thermodynamic conditions there exists a pore size for which nucleation happens fastest. Here we show, within the two- and three-dimensional Ising lattice gas, that this preferred pore size tracks the size of the bulk critical nucleus, up to a numerical prefactor. This observation suggests a simple prescription for directing nucleation to certain locations within heterogeneous porous media. C1 [Hedges, Lester O.; Whitelam, Stephen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Whitelam, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM swhitelam@lbl.gov RI Foundry, Molecular/G-9968-2014 FU Center for Nanoscale Control of Geologic CO2, a U.S. D.O.E. Energy Frontier Research Center [DE-AC02-05CH11231]; Molecular Foundry, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX L.O.H. was supported by the Center for Nanoscale Control of Geologic CO2, a U.S. D.O.E. Energy Frontier Research Center, under Contract no. DE-AC02-05CH11231. This work was done at the Molecular Foundry, Lawrence Berkeley National Laboratory, supported under Contract no. DE-AC02-05CH11231. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 25 TC 9 Z9 9 U1 1 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 41 BP 9763 EP 9766 DI 10.1039/c3sm51946e PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 230VV UT WOS:000325372300005 ER PT S AU Balman, M AF Balman, Mehmet BE Barolli, L Xhafa, F Takizawa, M Enokido, T Hsu, HH TI Advance Resource Provisioning in Bulk Data Scheduling SO 2013 IEEE 27TH INTERNATIONAL CONFERENCE ON ADVANCED INFORMATION NETWORKING AND APPLICATIONS (AINA) SE International Conference on Advanced Information Networking and Applications LA English DT Proceedings Paper CT IEEE 27th International Conference on Advanced Information Networking and Applications (IEEE AINA) CY MAR 25-28, 2013 CL Barcelona, SPAIN SP IEEE, IEEE Comp Soc, IEEE Comp Soc Tech Comm Distributed Proc, Tech Univ Catalonia, Fukuoka Inst Technol, IEEE Tech Comm Distributed Proc DE scheduling with constraints; bulk data movement; time-dependent graphs; network virtualization; Gale-Shapley algorithm ID UNSPLITTABLE FLOW PROBLEM; APPROXIMATION ALGORITHMS; OPTICAL NETWORKS; CONFLICTS AB Today's scientific and business applications generate massive data sets that need to be transferred to remote sites for sharing, processing, and long term storage. Because of increasing data volumes and enhancement in current network technology that provide on-demand high-speed data access between collaborating institutions, data handling and scheduling problems have reached a new scale. In this paper, we present a new data scheduling model with advance resource provisioning, in which data movement operations are defined with earliest start and latest completion times. We analyze time-dependent resource assignment problem, and propose a new methodology to improve the current systems by allowing researchers and higher-level meta-schedulers to use data-placement as-a-service, so they can plan ahead and submit transfer requests in advance. In general, scheduling with time and resource conflicts is NP-hard. We introduce an efficient algorithm to organize multiple requests on the fly, while satisfying users' time and resource constraints. We successfully tested our algorithm in a simple benchmark simulator that we have developed, and demonstrated its performance with initial test results. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Balman, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM mbalman@lbl.gov NR 37 TC 1 Z9 1 U1 0 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1550-445X BN 978-1-4673-5550-6; 978-0-7695-4953-8 J9 INT CON ADV INFO NET PY 2013 BP 984 EP 992 DI 10.1109/AINA.2013.5 PG 9 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA BGW73 UT WOS:000324398900130 ER PT B AU Crawford, DA AF Crawford, David A. GP IEEE TI Experimental Observation and Computational Modeling of Hypervelocity Impacts with Emphasis on Plasma Formation and its Consequences SO 2013 US NATIONAL COMMITTEE OF URSI NATIONAL RADIO SCIENCE MEETING (USNC-URSI NRSM) LA English DT Proceedings Paper CT US-National-Committee-of-URSI National Radio Science Meeting CY JAN 09-12, 2013 CL Boulder, CO SP URSI, US Natl Comm C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Crawford, DA (reprint author), Sandia Natl Labs, POB 5800,MS 0836, Albuquerque, NM 87185 USA. EM dacrawf@sandia.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4673-4778-5; 978-1-4673-4776-1 PY 2013 PG 1 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BGZ24 UT WOS:000324678400031 ER PT J AU Olsson, RH Kim, B Nguyen, J Clews, P Pluym, T Wojciechowski, KE AF Olsson, Roy H., III Kim, Bongsang Janet Nguyen Clews, Peggy Pluym, Tammy Wojciechowski, Kenneth E. GP IEEE TI Tuning the Bandwidth and Center Frequency of Micromechanical Acoustic Resonators SO 2013 US NATIONAL COMMITTEE OF URSI NATIONAL RADIO SCIENCE MEETING (USNC-URSI NRSM) LA English DT Proceedings Paper CT US-National-Committee-of-URSI National Radio Science Meeting CY JAN 09-12, 2013 CL Boulder, CO SP URSI, US Natl Comm C1 [Olsson, Roy H., III; Kim, Bongsang; Janet Nguyen; Clews, Peggy; Pluym, Tammy; Wojciechowski, Kenneth E.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Olsson, RH (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4673-4778-5 PY 2013 PG 1 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BGZ24 UT WOS:000324678400111 ER PT J AU Chen, WF Muckerman, JT Fujita, E AF Chen, Wei-Fu Muckerman, James T. Fujita, Etsuko TI Recent developments in transition metal carbides and nitrides as hydrogen evolution electrocatalysts SO CHEMICAL COMMUNICATIONS LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; OXYGEN REDUCTION REACTION; MEMBRANE FUEL-CELLS; TUNGSTEN CARBIDE; MOLYBDENUM CARBIDE; CATALYTIC ACTIVITY; SURFACE SCIENCE; LOW-TEMPERATURE; ACID-SOLUTIONS; CARBAZOLE HYDRODENITROGENATION AB The production of hydrogen by the electrolysis of water, a sustainable and greenhouse-gas-free source, requires an efficient and abundant electrocatalyst that minimizes energy consumption. Interest in transition metal carbides and nitrides has been aroused by their promising properties that make them potential substitutes for Pt-group metals as catalysts for the hydrogen evolution reaction. In this review, we discuss systematically the recent progress in the development of group IV-VI metal carbides and nitrides toward the hydrogen evolution reaction. Some strategies for designing such catalysts and improving their efficiency and reliability, including nanostructuring, optimizing hydrogen binding energy, interaction with the supporting material, and exploiting hybrid structures, are highlighted. We conclude with an outlook on the challenges in designing future HER electrocatalysts. C1 [Chen, Wei-Fu; Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Chen, WF (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM wfchen@bnl.gov; fujita@bnl.gov FU U.S. Department of Energy (DOE) [DE-AC02-98CH10886]; Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences FX This work was carried out at Brookhaven National Laboratory (BNL) under contract DE-AC02-98CH10886 with the U.S. Department of Energy (DOE) and supported by its Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences. NR 124 TC 247 Z9 250 U1 69 U2 466 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 79 BP 8896 EP 8909 DI 10.1039/c3cc44076a PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA 218AE UT WOS:000324404100002 PM 23982806 ER PT J AU Zhao, Z Tan, HQ Zhao, HF Li, D Zheng, M Du, P Zhang, GQ Qu, D Sun, ZC Fan, HY AF Zhao, Zhao Tan, Huaqiao Zhao, Haifeng Li, Di Zheng, Min Du, Peng Zhang, Guoqiang Qu, Dan Sun, Zaicheng Fan, Hongyou TI Orientated anatase TiO2 nanocrystal array thin films for self-cleaning coating SO CHEMICAL COMMUNICATIONS LA English DT Article ID SENSITIZED SOLAR-CELLS; 001 FACETS; UV-IRRADIATION AB We developed a simple method to synthesize TiO2 nanowire arrays with nearly 100% exposed {001} facets. The coating exhibits good transparency. The thin films of TiO2 nanowire arrays display a very good photocatalytic degradation of dye molecules and good durability. Based on the above features, the TiO2 nanowire array coating is advantageous for self-cleaning coating. C1 [Zhao, Zhao; Tan, Huaqiao; Zhao, Haifeng; Li, Di; Zheng, Min; Du, Peng; Zhang, Guoqiang; Qu, Dan; Sun, Zaicheng] Chinese Acad Sci, Changchun Inst Opt Fine Mech & Phys, State Key Lab Luminescence & Applicat, Changchun 130033, Jilin, Peoples R China. [Zhao, Zhao; Du, Peng; Zhang, Guoqiang; Qu, Dan] Univ Chinese Acad Sci, Beijing, Peoples R China. [Fan, Hongyou] Univ New Mexico, Dept Chem & Nucl Engn, NSF Ctr Microengn Mat, Albuquerque, NM 87131 USA. [Fan, Hongyou] Adv Mat Lab, Sandia Natl Labs, Albuquerque, NM 87106 USA. RP Sun, ZC (reprint author), Chinese Acad Sci, Changchun Inst Opt Fine Mech & Phys, State Key Lab Luminescence & Applicat, 3888 East Nanhu Rd, Changchun 130033, Jilin, Peoples R China. EM sunzc@ciomp.ac.cn; hfan@sandia.gov RI Zheng, Min/B-6267-2013; Sun, Zaicheng/B-5397-2012 OI Sun, Zaicheng/0000-0001-5277-5308 NR 19 TC 12 Z9 12 U1 1 U2 59 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 79 BP 8958 EP 8960 DI 10.1039/c3cc44547j PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 218AE UT WOS:000324404100019 PM 23963053 ER PT J AU Shao, MH He, GN Peles, A Odell, JH Zeng, J Su, D Tao, J Yu, T Zhu, YM Xia, YN AF Shao, Minhua He, Guannan Peles, Amra Odell, Jonathan H. Zeng, Jie Su, Dong Tao, Jing Yu, Taekyung Zhu, Yimei Xia, Younan TI Manipulating the oxygen reduction activity of platinum shells with shape-controlled palladium nanocrystal cores SO CHEMICAL COMMUNICATIONS LA English DT Article ID MONOLAYER ELECTROCATALYSTS; CATALYTIC-ACTIVITY; PD NANOPARTICLES; SURFACES; ALLOY; FUEL; ADSORPTION; FUTURE; O-2; CO AB The oxygen reduction reaction (ORR) activities of Pt shells were found to have a strong dependence on the surface structure by depositing them on Pd nanocrystals with different shapes. C1 [Shao, Minhua; Odell, Jonathan H.] UTC Power, S Windsor, CT 06074 USA. [He, Guannan] Washington Univ, Dept Chem, St Louis, MO 63130 USA. [Peles, Amra] United Technol Res Ctr, E Hartford, CT 06118 USA. [Zeng, Jie; Yu, Taekyung; Xia, Younan] Washington Univ, Dept Biomed Engn, St Louis, MO 63130 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Tao, Jing; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Shao, MH (reprint author), Ford Motor Co, Dearborn, MI 48124 USA. EM minhua@gmail.com; younan.xia@bme.gatech.edu RI Zeng, Jie/H-1327-2011; Xia, Younan/E-8499-2011; Su, Dong/A-8233-2013; OI Zeng, Jie/0000-0002-8812-0298; Su, Dong/0000-0002-1921-6683; Shao, Minhua/0000-0003-4496-0057 FU UTC Power; U.S. Department of Energy; Materials Science and Engineering Division [DE-AC02-98CH10886] FX This work was supported by UTC Power. The work at BNL was supported by the U.S. Department of Energy and by the Materials Science and Engineering Division under Contract No. DE-AC02-98CH10886 and through the use of CFN. NR 31 TC 35 Z9 35 U1 9 U2 122 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 79 BP 9030 EP 9032 DI 10.1039/c3cc43276a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 218AE UT WOS:000324404100043 PM 23982335 ER PT J AU Davis, BL Rekken, BD Michalczyk, R Garner, EB Dixon, DA Kalviri, H Baker, RT Thorn, DL AF Davis, Benjamin L. Rekken, Brian D. Michalczyk, Ryszard Garner, Edward B., III Dixon, David A. Kalviri, Hassan Baker, R. Tom Thorn, David L. TI Lewis base assisted B-H bond redistribution in borazine and polyborazylene SO CHEMICAL COMMUNICATIONS LA English DT Article ID AMMONIA-BORANE; REGENERATION; BORON; HEATS; FUEL AB Lewis bases react with borazine and polyborazylene, yielding borane adducts. In the case of NH3 (I), ammonia-borane (AB) is formed and quantified using NMR spectroscopy against an internal standard. Calculations indicate that the formation of B(NH2)(3) may provide the driving force of this redistribution. Given the complexity and expense of currently known spent AB regeneration pathways, it is suggested that this redistribution chemistry be used to recover AB and improve regeneration methods. C1 [Davis, Benjamin L.; Rekken, Brian D.] Los Alamos Natl Lab, MPA MSID, Los Alamos, NM 87545 USA. [Michalczyk, Ryszard] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Garner, Edward B., III; Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. [Kalviri, Hassan; Baker, R. Tom] Univ Ottawa, Dept Chem, Ctr Catalysis Res & Innovat, Ottawa, ON K1N 6N5, Canada. [Thorn, David L.] Los Alamos Natl Lab, C IIAC, Los Alamos, NM 87545 USA. RP Davis, BL (reprint author), Los Alamos Natl Lab, MPA MSID, MS J514, Los Alamos, NM 87545 USA. EM bldavis@lanl.gov RI Davis, Benjamin /I-7897-2015; OI Davis, Benjamin/0000-0001-5439-0751; Michalczyk, Ryszard/0000-0001-8839-6473 FU DOE office of EERE (Energy Efficiency and Renewable Energy) [NA25396, DE-EE-0005658]; Robert Ramsay Chair Fund of The University of Alabama FX This work was supported by the DOE office of EERE (Energy Efficiency and Renewable Energy) under Contract Numbers NA25396 and DE-EE-0005658. D.A.D. thanks the Robert Ramsay Chair Fund of The University of Alabama for support. NR 24 TC 7 Z9 7 U1 0 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 80 BP 9095 EP 9097 DI 10.1039/c3cc44748k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 219EZ UT WOS:000324490200005 PM 23963199 ER PT J AU McLellan, R Palacios, MA Beavers, CM Teat, SJ Brechin, EK Dalgarno, SJ AF McLellan, Ross Palacios, Maria A. Beavers, Christine M. Teat, Simon J. Brechin, Euan K. Dalgarno, Scott J. TI A bis-phenolate for the construction of linear lanthanide trimers SO CHEMICAL COMMUNICATIONS LA English DT Article ID SINGLE-MOLECULE MAGNETS; CLUSTERS; CAGE; LIGANDS AB The ligand bis(5-tert-butyl-2-hydroxy-3-hydroxymethyl-phenyl)methane, a flexible calix[n]arene analogue, is employed to construct an unusual linear [Ln(3)] trimer. C1 [McLellan, Ross; Dalgarno, Scott J.] Heriot Watt Univ, Inst Chem Sci, Edinburgh EH14 4AS, Midlothian, Scotland. [Palacios, Maria A.; Brechin, Euan K.] Univ Edinburgh, EaStCHEM Sch Chem, Edinburgh EH9 3JJ, Midlothian, Scotland. [Beavers, Christine M.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Brechin, EK (reprint author), Univ Edinburgh, EaStCHEM Sch Chem, West Mains Rd, Edinburgh EH9 3JJ, Midlothian, Scotland. EM ebrechin@staffmail.ed.ac.uk; S.J.Dalgarno@hw.ac.uk RI McLellan, Ross/C-8267-2013; Beavers, Christine/C-3539-2009; Brechin, Euan/M-5130-2014; Palacios Lopez, Maria Angeles /K-3903-2016; Dalgarno, Scott/A-7358-2010 OI McLellan, Ross/0000-0001-9700-0258; Beavers, Christine/0000-0001-8653-5513; Brechin, Euan/0000-0002-9365-370X; Dalgarno, Scott/0000-0001-7831-012X FU EPSRC; Ministry of Education of Spain; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX We thank the EPSRC for financial support of this work and the Ministry of Education of Spain for a postdoctoral fellowship (MAP). 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. NR 28 TC 8 Z9 8 U1 0 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 83 BP 9552 EP 9554 DI 10.1039/c3cc44996c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 224NP UT WOS:000324894200007 PM 24022247 ER PT J AU Wang, L Liu, HQ Konik, RM Misewich, JA Wong, SS AF Wang, Lei Liu, Haiqing Konik, Robert M. Misewich, James A. Wong, Stanislaus S. TI Carbon nanotube-based heterostructures for solar energy applications SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID DONOR-ACCEPTOR HETEROJUNCTIONS; PHOTOINDUCED ELECTRON-TRANSFER; POLYMER PHOTOVOLTAIC CELLS; ACTIVE LAYER MORPHOLOGY; OPEN-CIRCUIT VOLTAGE; QUANTUM DOTS; SEMICONDUCTOR NANOCRYSTALS; CARRIER MULTIPLICATION; CDSE NANOCRYSTALS; CHARGE SEPARATION AB One means of combining the unique physical and chemical properties of both carbon nanotubes and complementary material motifs (such as metal sulfide quantum dots (QDs), metal oxide nanostructures, and polymers) can be achieved by generating carbon nanotube (CNT)-based heterostructures. These materials can be subsequently utilized as novel and interesting constituent building blocks for the assembly of functional light energy harvesting devices and because of their architectural and functional flexibility, can potentially open up novel means of using and taking advantage of existing renewable energy sources. In this review, we present the reliable and reproducible synthesis of several unique model CNT-based heterostructured systems as well as include an accompanying discussion about the charge transfer and energy flow properties of these materials for their potential incorporation into a range of practical solar energy conversion devices. C1 [Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Konik, Robert M.; Misewich, James A.; Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM stanislaus.wong@stonybrook.edu RI Konik, Robert/L-8076-2016 OI Konik, Robert/0000-0003-1209-6890 FU U.S. Department of Energy (DOE), Basic Energy Sciences, Materials Sciences and Engineering Division at Brookhaven National Laboratory; DOE [DE-AC02-98CH10886] FX Financial support for completion of this Review article was provided by the U.S. Department of Energy (DOE), Basic Energy Sciences, Materials Sciences and Engineering Division at Brookhaven National Laboratory, which is supported by the DOE under Contract No. DE-AC02-98CH10886. NR 150 TC 32 Z9 32 U1 10 U2 105 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2013 VL 42 IS 20 BP 8134 EP 8156 DI 10.1039/c3cs60088b PG 23 WC Chemistry, Multidisciplinary SC Chemistry GA 224LW UT WOS:000324888600009 PM 23843033 ER PT J AU Song, GL AF Song, Guang-Ling BE Song, GL TI Corrosion prevention of magnesium alloys Preface SO CORROSION PREVENTION OF MAGNESIUM ALLOYS SE Woodhead Publishing in Materials LA English DT Editorial Material; Book Chapter C1 [Song, Guang-Ling] Gen Motors Corp, GM Global Res & Dev, Warren, MI 48090 USA. RP Song, GL (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd,POB 2008,MS-6156, Oak Ridge, TN 37831 USA. EM guangling.song@gmail.com NR 0 TC 0 Z9 0 U1 0 U2 0 PU WOODHEAD PUBL LTD PI CAMBRIDGE PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND BN 978-0-85709-896-2 J9 WOODHEAD PUBL MATER PY 2013 BP XVII EP XIX D2 10.1533/9780857098962 PG 3 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BGR26 UT WOS:000323882300001 ER PT J AU Pinheiro, M Martin, RL Rycroft, CH Haranczyk, M AF Pinheiro, Marielle Martin, Richard L. Rycroft, Chris H. Haranczyk, Maciej TI High accuracy geometric analysis of crystalline porous materials SO CRYSTENGCOMM LA English DT Article ID METAL-ORGANIC FRAMEWORKS; SHAPE SELECTIVITY; CARBON-DIOXIDE; MOLECULAR SIMULATIONS; STATISTICAL GEOMETRY; RETICULAR CHEMISTRY; PARTICLE PACKINGS; VOID PERCOLATION; NETS; ADSORPTION AB A number of algorithms to analyze crystalline porous materials and their porosities employ the Voronoi tessellation, whereby the space in the material is divided into irregular polyhedral cells that can be analyzed to determine the pore topology and structure. However, the Voronoi tessellation is only appropriate when atoms all have equal radii, and the natural generalization to structures with unequal radii leads to cells with curved boundaries, which are computationally expensive to compute. Therefore, high-throughput structure analysis codes utilize the radical Voronoi tessellation, which approximates the curved cells by polyhedra. In this study, we investigate the errors arising from this approximation reflected in the predicted values of two important porosity descriptors, the largest included and free sphere diameters. The maximum observed errors amount to ca. 0.6 angstrom for a test set comprised of zeolite and metal-organic framework materials. Following the work of Phillips et al. (Soft Matter, 2010, 6, 1693-1703), we describe a strategy to systematically decrease observed errors, and demonstrate that high accuracy (errors below 0.1 angstrom) can be obtained within the same algorithmic framework and at the expense of only an order of magnitude increase in computational cost. C1 [Pinheiro, Marielle; Martin, Richard L.; Rycroft, Chris H.; Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Rycroft, Chris H.] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Rycroft, Chris H.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Rycroft, Chris H.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. RP Pinheiro, 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 Haranczyk, Maciej/A-6380-2014; Martin, Richard/C-7129-2013; OI Haranczyk, Maciej/0000-0001-7146-9568; Martin, Richard/0000-0001-9858-2608; Rycroft, Chris/0000-0003-4677-6990 FU US Department of Energy [DEAC02-05CH11231]; Materials Project Center [EDCBEE]; Office of Science of the U.S. Department of Energy [DEAC02-05CH11231]; [CSNEW918] FX This work at the Lawrence Berkeley National Laboratory was supported by the US Department of Energy under Contract No. DEAC02-05CH11231. The part of the work involving the development and implementation of the presented model was covered by the Materials Project Center (award no. EDCBEE) while its applications to porous materials were covered by the CSNEW918 project.; This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DEAC02-05CH11231. NR 51 TC 16 Z9 16 U1 3 U2 33 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1466-8033 J9 CRYSTENGCOMM JI Crystengcomm PY 2013 VL 15 IS 37 BP 7531 EP 7538 DI 10.1039/c3ce41057a PG 8 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 216EZ UT WOS:000324266100024 ER PT J AU Bock, DC Takeuchi, KJ Marschilok, AC Takeuchi, ES AF Bock, David C. Takeuchi, Kenneth J. Marschilok, Amy C. Takeuchi, Esther S. TI Silver vanadium oxide and silver vanadium phosphorous oxide dissolution kinetics: a mechanistic study with possible impact on future ICD battery lifetimes SO DALTON TRANSACTIONS LA English DT Article ID POSITIVE-ELECTRODE MATERIALS; LITHIUM BATTERIES; ELECTROCHEMICAL PROPERTIES; ELEVATED-TEMPERATURES; CRYSTAL-STRUCTURE; DELIVERY-SYSTEMS; CATHODE MATERIAL; PARTICLE-SIZE; DRUG-RELEASE; PROFILES AB Material design strategies for energy storage applications can be considered in two major categories: (1) control of structure and composition and (2) material dimensional control such as the implementation of nanomaterials. Characterization of electrochemical properties determines energy content and possible viability for potential application. Equally critical yet more challenging is quantifying the non-Faradaic parasitic reactions of the active materials and the relationship to battery life. Understanding the significant factors associated with battery lifetimes for the implantable cardioverter defibrillator (ICD) is critical for the development of new ICD batteries. In situ dissolution of the cathode material has been identified as a major factor in premature end of life for ICD batteries. This study contains the kinetic analyses of silver and vanadium dissolution from the benchmark silver vanadium oxide (SVO) material and two silver vanadium phosphorous oxide (SVPO-H and SVPO-R) materials with differing physical properties in a nonaqueous ICD battery electrolyte. A comparison of the kinetic and mechanistic results for SVO, SVPO-H and SVPO-R provides insight for future material design approaches. C1 [Bock, David C.; Takeuchi, Kenneth J.; Marschilok, Amy C.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Marschilok, Amy C.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Takeuchi, Esther S.] Brookhaven Natl Lab, Global & Reg Solut Directorate, Upton, NY 11973 USA. RP Takeuchi, KJ (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM kenneth.takeuchi.1@stonybrook.edu; amy.marschilok@stonybrook.edu; esther.takeuchi@stonybrook.edu RI Marschilok, Amy/D-1821-2014; Takeuchi, Esther/D-1825-2014 FU National Institutes of Health from the National Heart, Lung, and Blood Institute [1R01HL093044-01A1] FX This work was supported by National Institutes of Health under Grant 1R01HL093044-01A1 from the National Heart, Lung, and Blood Institute. The authors acknowledge Chia-Ying Lee for assistance with scanning electron microscopy. NR 67 TC 15 Z9 15 U1 3 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 EI 1477-9234 J9 DALTON T JI Dalton Trans. PY 2013 VL 42 IS 38 BP 13981 EP 13989 DI 10.1039/c3dt51544c PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 218AT UT WOS:000324405700026 PM 23925733 ER PT J AU Mume, E Asad, A Di Bartolo, NM Kong, LG Smith, C Sargeson, AM Price, R Smith, SV AF Mume, Eskender Asad, Ali Di Bartolo, Nadine M. Kong, Linggen Smith, Christopher Sargeson, Alan M. Price, Roger Smith, Suzanne V. TI Synthesis of hexa aza cages, SarAr-NCS and AmBaSar and a study of their metal complexation, conjugation to nanomaterials and proteins for application in radioimaging and therapy SO DALTON TRANSACTIONS LA English DT Article ID MONOCLONAL-ANTIBODY B72.3; SILICA NANOPARTICLES; COBALT(III); FRAGMENTS; PEPTIDES; DELIVERY; LIGAND; IONS AB A novel hexa aza cage, N-1-(4-isothiocyanatobenzyl)-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1,8-diamine (SarAr-NCS) was synthesized in good yield and characterized by H-1 NMR and electrospray mass spectrometry. A new method for the synthesis of the related N-1-(4-carboxybenzyl)-3,6,10,13,16,19-hexaazabicyclo[6.6.6] icosane-1,8-diamine (AmBaSar) using the p-carboxybenzaldehyde is reported. The complexation of Cu2+, Co2+ and Zn2+ by the two ligands over a range of pHs was found to be similar to the parent derivative SarAr. SarAr-NCS was conjugated to both silica particles (approximate to 90 nm diam.) and the model B72.3 murine antibody. The SarAr-NCSN-silica particles were radiolabeled with Cu2+ doped Cu-64 and the number of ligands conjugated was calculated to be an average of 7020 ligands per particle. Conjugation of SarAr-NCS to the B72.3 antibody was optimized over a range of conditions. The SarAr-NCSN-B72.3 conjugate was stored in buffer and as a lyophilized powder at 4 degrees C over 38 days. Its radiolabeling efficiency, stability and immunoreactivity were maintained. The development of a high yielding synthesis of SarAr-NCS should provide an entry point for a wide range of Cu and Zn radiometal PET imaging agents and potentially radiotherapeutic agents with Cu-67. C1 [Mume, Eskender; Di Bartolo, Nadine M.; Kong, Linggen; Smith, Christopher; Smith, Suzanne V.] Australian Nucl Sci & Technol Org ANSTO, Ctr Antimatter Matter Studies CAMS, Menai, NSW 2234, Australia. [Mume, Eskender; Smith, Suzanne V.] Australian Natl Univ, Ctr Antimatter Matter Studies CAMS, Canberra, ACT 0200, Australia. [Asad, Ali; Price, Roger] Sir Charles Gairdner Hosp, Radiopharmaceut Prod & Dev RAPID Lab, Perth, WA, Australia. [Di Bartolo, Nadine M.; Sargeson, Alan M.] Australian Natl Univ, Res Sch Chem, Canberra, ACT 0200, Australia. [Smith, Christopher] Chulalongkorn Univ, Fac Sci, Dept Chem, Bangkok 10400, Thailand. [Smith, Suzanne V.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. RP Smith, SV (reprint author), Australian Nucl Sci & Technol Org ANSTO, Ctr Antimatter Matter Studies CAMS, Menai, NSW 2234, Australia. EM suzanne@bnl.gov FU Australian Research Council Centre of Excellence in Antimatter Matter Studies (CAMS); Australian Institute of Nuclear Science and Engineering FX We wish to acknowledge financial support from Australian Research Council Centre of Excellence in Antimatter Matter Studies (CAMS) and the Australian Institute of Nuclear Science and Engineering. NR 24 TC 9 Z9 9 U1 0 U2 24 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2013 VL 42 IS 40 BP 14402 EP 14410 DI 10.1039/c3dt51199e PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 224ZG UT WOS:000324931400010 PM 23851350 ER PT J AU Sun, XQ Xu, C Tian, GX Rao, LF AF Sun, Xiaoqi Xu, Chao Tian, Guoxin Rao, Linfeng TI Complexation of glutarimidedioxime with Fe(III), Cu(II), Pb(II), and Ni(II), the competing ions for the sequestration of U(VI) from seawater SO DALTON TRANSACTIONS LA English DT Article ID RAY CRYSTAL-STRUCTURE; AQUEOUS-SOLUTION; SEA-WATER; URANIUM; RECOVERY; COPPER(II); EXTRACTION; EQUILIBRIUM; DIHYDRATE; EXCHANGE AB The stability constants of the complexes of Fe(III), Cu(II), Pb(II), and Ni(II) with glutarimidedioxime, a ligand that has significant implications in the sequestration of uranium from seawater with amidoxime-based sorbents, were determined by potentiometry. The enthalpies of complexation for the Fe(III)/glutarimidedioxime complexes were determined by microcalorimetry. Compared with the data for the complexation of U(VI) with glutarimidedioxime in the literature, Fe(III) forms much stronger complexes with glutarimidedioxime and is expected to affect the efficiency of uranium sequestration from seawater by competing for the sorption sites of the amidoxime-based sorbents. The structures of two Fe(III)/glutarimidedioxime complexes were identified by single-crystal X-ray diffractometry, and helped to interpret the stronger complexation of Fe(III) with glutarimidedioxime than that of U(VI). C1 [Sun, Xiaoqi; Xu, Chao; Tian, Guoxin; Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Sun, Xiaoqi] Chinese Acad Sci, Xiamen Inst Rare Earth Mat, Xiamen 361021, Peoples R China. [Xu, Chao] Tsinghua Univ, Inst Nucl & New Energy Technol, Beijing 100084, Peoples R China. RP Rao, LF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM lrao@lbl.gov RI XU, CHAO/S-4253-2016 OI XU, CHAO/0000-0001-5539-4754 FU Uranium Resources Program, Fuel Cycle Research and Development Program, Office of Nuclear Energy of the U.S. Department of Energy (DOE) at Lawrence Berkeley National Laboratory (LBNL) [DE-AC02-05CH11231] FX This work was supported by the Uranium Resources Program, Fuel Cycle Research and Development Program, Office of Nuclear Energy of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory (LBNL). The authors are thankful to Dr Antonio DiPasquale for collecting and analyzing the single-crystal X-ray diffraction data at the X-ray Crystallography Facility of College of Chemistry, University of California at Berkeley. NR 36 TC 23 Z9 25 U1 7 U2 57 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2013 VL 42 IS 40 BP 14621 EP 14627 DI 10.1039/c3dt51767e PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 224ZG UT WOS:000324931400033 PM 23985935 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI Introduction - dangerous neighbors: volcanoes near cities SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Editorial Material; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP 1 EP 14 D2 10.1017/CBO9781139856676 PG 14 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100002 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI Dangerous Neighbors: Volcanoes and Cities GRANT HEIKEN Preface SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Editorial Material; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP VII EP + D2 10.1017/CBO9781139856676 PG 5 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100001 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI Too many people and too many volcanoes - Naples, Italy SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Article; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP 15 EP 42 D2 10.1017/CBO9781139856676 PG 28 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100003 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI A full menu of volcanic hazards - Mexico City SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Article; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP 43 EP 60 D2 10.1017/CBO9781139856676 PG 18 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100004 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI "Like dangerous, yet undeniably beautiful women" - Guagua Pichincha and Cotopaxi volcanoes near Quito, Ecuador SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Article; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 2 U2 3 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP 61 EP 72 D2 10.1017/CBO9781139856676 PG 12 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100005 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI Dangerous neighbors, but some bring gifts - Manila megacity, Philippines SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Article; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP 73 EP 88 D2 10.1017/CBO9781139856676 PG 16 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100006 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI "It's part of the culture. Live with it!" - cities in Japan SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Article; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP 89 EP 112 D2 10.1017/CBO9781139856676 PG 24 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100007 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI Volcanic and proud of it - Auckland, New Zealand SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Article; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP 113 EP 126 D2 10.1017/CBO9781139856676 PG 14 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100008 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI Coffee, software, aircraft, and volcanic mudflows - Seattle, Tacoma, and Portland, USA SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Article; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP 127 EP 140 D2 10.1017/CBO9781139856676 PG 14 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100009 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI A tale of two cities - Akrotiri (island of Santorini, Greece) and Plymouth (island of Montserrat, Caribbean) SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Article; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP 141 EP 164 D2 10.1017/CBO9781139856676 PG 24 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100010 ER PT J AU Heiken, G AF Heiken, Grant BA Heiken, G BF Heiken, G TI The dangerous neighbor is restless - how should a city respond? SO DANGEROUS NEIGHBORS: VOLCANOES AND CITIES LA English DT Article; Book Chapter C1 [Heiken, Grant] NASA, Apollo Program, Washington, DC USA. [Heiken, Grant] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA BN 978-1-107-03923-0 PY 2013 BP 165 EP 179 D2 10.1017/CBO9781139856676 PG 15 WC Geology; Urban Studies SC Geology; Urban Studies GA BGY55 UT WOS:000324595100011 ER PT S AU Roald, L Jonkman, J Robertson, A Chokani, N AF Roald, Line Jonkman, Jason Robertson, Amy Chokani, Ndaona BE Tande, JOG Kvamsdal, T Muskulus, M TI The effect of second-order hydrodynamics on floating offshore wind turbines SO DEEPWIND'2013 - SELECTED PAPERS FROM 10TH DEEP SEA OFFSHORE WIND R&D CONFERENCE SE Energy Procedia LA English DT Proceedings Paper CT 10th Deep Sea Offshore Wind R and D Conference (DeepWind) CY JAN 24-25, 2013 CL Trondheim, NORWAY DE offshore floating wind turbine; second-order hydrodynamics; wave loads; spar buoy; tension-leg platform AB Offshore winds are generally stronger and more consistent than winds on land, making the offshore environment attractive for wind energy development. A large part of the offshore wind resource is however located in deep water, where floating turbines are the only economical way of harvesting the energy. The design of offshore floating wind turbines relies on the use of modeling tools that can simulate the entire coupled system behaviour. At present, most of these tools include only first-order hydrodynamic theory. However, observations of supposed second-order hydrodynamic responses in wave-tank tests performed by the DeepCwind consortium suggest that second-order effects might be critical. In this paper, the methodology used by the oil and gas industry has been modified to apply to the analysis of floating wind turbines, and is used to assess the effect of second-order hydrodynamics on floating offshore wind turbines. The method relies on combined use of the frequency-domain tool WAMIT and the time-domain tool FAST. The proposed assessment method has been applied to two different floating wind concepts, a spar and a tension-leg-platform (TLP), both supporting the NREL 5-MW baseline wind turbine. Results showing the hydrodynamic forces and motion response for these systems are presented and analysed, and compared to aerodynamic effects. (C) 2013 The Authors. Published by Elsevier Ltd. C1 [Roald, Line] ETH, Power Syst Lab, Phys Str 3, CH-8092 Zurich, Switzerland. [Roald, Line; Chokani, Ndaona] ETH, Lab Energy Convers, CH-8092 Zurich, Switzerland. [Jonkman, Jason; Robertson, Amy] NREL, Golden, CO 80401 USA. RP Roald, L (reprint author), ETH, Power Syst Lab, Phys Str 3, CH-8092 Zurich, Switzerland. EM roald@eeh.ee.ethz.ch NR 15 TC 12 Z9 14 U1 2 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2013 VL 35 BP 253 EP 264 DI 10.1016/j.egypro.2013.07.178 PG 12 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BGW81 UT WOS:000324426100027 ER PT J AU von Neubeck, C Shankaran, H Geniza, MJ Kauer, PM Robinson, RJ Chrisler, WB Sowa, MB AF von Neubeck, Claere Shankaran, Harish Geniza, Matthew J. Kauer, Paula M. Robinson, R. Joe Chrisler, William B. Sowa, Marianne B. TI Integrated experimental and computational approach to understand the effects of heavy ion radiation on skin homeostasis SO INTEGRATIVE BIOLOGY LA English DT Article ID IONIZING-RADIATION; SYSTEMS BIOLOGY; GENE-TRANSCRIPTION; HUMAN EPIDERMIS; TISSUE MODEL; CANCER-RISK; CELL FATE; IN-VITRO; INDUCTION; MICROENVIRONMENT AB The effects of low dose high linear energy transfer (LET) radiation on human health are of concern for space, occupational, and clinical exposures. As epidemiological data for such radiation exposures are scarce for making relevant predictions, we need to understand the mechanism of response especially in normal tissues. Our objective here is to understand the effects of heavy ion radiation on tissue homeostasis in a realistic model system. Towards this end, we exposed an in vitro three dimensional skin equivalent to low fluences of neon (Ne) ions (300 MeV u(-1)), and determined the differentiation profile as a function of time following exposure using immunohistochemistry. We found that Ne ion exposures resulted in transient increases in the tissue regions expressing the differentiation markers keratin 10, and filaggrin, and more subtle time-dependent effects on the number of basal cells in the epidermis. We analyzed the data using a mathematical model of the skin equivalent, to quantify the effect of radiation on cell proliferation and differentiation. The agent-based mathematical model for the epidermal layer treats the epidermis as a collection of heterogeneous cell types with different proliferation-differentiation properties. We obtained model parameters from the literature where available, and calibrated the unknown parameters to match the observed properties in unirradiated skin. We then used the model to rigorously examine alternate hypotheses regarding the effects of high LET radiation on the tissue. Our analysis indicates that Ne ion exposures induce rapid, but transient, changes in cell division, differentiation and proliferation. We have validated the modeling results by histology and quantitative reverse transcription polymerase chain reaction (qRT-PCR). The integrated approach presented here can be used as a general framework to understand the responses of multicellular systems, and can be adapted to other epithelial tissues. C1 [von Neubeck, Claere] Tech Univ Dresden, Fac Med, OncoRay Natl Ctr Radiat Res Oncol, German Canc Consortium DKTK, D-01307 Dresden, Germany. [von Neubeck, Claere] Tech Univ Dresden, Univ Hosp Carl Gustav Carus, D-01307 Dresden, Germany. [von Neubeck, Claere] Germany Canc Res Ctr DKFZ, D-69120 Heidelberg, Germany. [Shankaran, Harish; Kauer, Paula M.; Robinson, R. Joe; Chrisler, William B.; Sowa, Marianne B.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Geniza, Matthew J.] Oregon State Univ, Mol & Cellular Biol Program, Corvallis, OR 97331 USA. RP Sowa, MB (reprint author), Pacific NW Natl Lab, POB 999,MS J4-02, Richland, WA 99352 USA. EM marianne.sowa@pnnl.gov FU National Aeronautics and Space Administration [NNX10AB06G]; Biological and Environmental Research Program, U.S. Department of Energy [DE-AC06-76RLO] FX This work was supported by the National Aeronautics and Space Administration [NNX10AB06G] and the Biological and Environmental Research Program, U.S. Department of Energy [DE-AC06-76RLO]. NR 57 TC 2 Z9 2 U1 0 U2 1 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1757-9694 J9 INTEGR BIOL-UK JI Integr. Biol. PY 2013 VL 5 IS 10 BP 1229 EP 1243 DI 10.1039/c3ib40071a PG 15 WC Cell Biology SC Cell Biology GA 224MC UT WOS:000324889300003 PM 23925568 ER PT J AU Ling, M Qiu, JX Li, S Zhao, H Liu, G Zhang, SQ AF Ling, Min Qiu, Jingxia Li, Sheng Zhao, Hui Liu, Gao Zhang, Shanqing TI An environmentally benign LIB fabrication process using a low cost, water soluble and efficient binder SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID LITHIUM-ION BATTERIES; MODIFIED NATURAL GRAPHITE; ANODE MATERIAL; POLYMERIC BINDER; PERFORMANCE; COMPOSITE; CHALLENGES; ELECTRODES; PARTICLES; MEMBRANES AB Here we report a green production process polymer binder, Eastman AQ (TM) 55S (EAQ) polymer, which has plentiful active hydroxyl groups on its surface that is different from the chemically inert PVDF binder for lithium ion batteries (LIBs). The water soluble EAQ binder tuned the performance of the oxidized graphite with carboxyl group for the maximum effect. C1 [Ling, Min; Qiu, Jingxia; Li, Sheng; Zhang, Shanqing] Griffith Univ, Ctr Clean Environm & Energy, Environm Futures Ctr, Nathan, Qld 4222, Australia. [Ling, Min; Qiu, Jingxia; Li, Sheng; Zhang, Shanqing] Griffith Univ, Griffith Sch Environm, Nathan, Qld 4222, Australia. [Ling, Min; Zhao, Hui; Liu, Gao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Ling, Min; Zhao, Hui; Liu, Gao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Zhang, SQ (reprint author), Griffith Univ, Ctr Clean Environm & Energy, Environm Futures Ctr, Gold Coast Campus, Nathan, Qld 4222, Australia. EM gliu@lbl.gov; s.zhang@griffith.edu.au RI zhao, hui/L-9688-2013; Li, Sheng/H-6569-2015; Zhao, Huijun/H-5882-2015; Zhang, Shanqing/C-2590-2008 OI Li, Sheng/0000-0003-1645-6865; Zhao, Huijun/0000-0002-3028-0459; FU Australia Research Council; Office of Vehicle Technologies of the U.S. Department of Energy (U.S. DOE) [DE-AC02-05CH11231]; Batteries for Advanced Transportation Technologies (BATT) Program at Lawrence Berkeley National Laboratory FX This work was supported by the Australia Research Council and by the Assistant Secretary for Energy Efficiency, Office of Vehicle Technologies of the U.S. Department of Energy (U.S. DOE) under contract no. DE-AC02-05CH11231 and the Batteries for Advanced Transportation Technologies (BATT) Program at Lawrence Berkeley National Laboratory. NR 27 TC 18 Z9 18 U1 11 U2 57 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 EI 2050-7496 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 38 BP 11543 EP 11547 DI 10.1039/c3ta12159c PG 5 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 218CH UT WOS:000324409700006 ER PT J AU Klug, JA Becker, NG Riha, SC Martinson, ABF Elam, JW Pellin, MJ Proslier, T AF Klug, Jeffrey A. Becker, Nicholas G. Riha, Shannon C. Martinson, Alex B. F. Elam, Jeffrey W. Pellin, Michael J. Proslier, Thomas TI Low temperature atomic layer deposition of highly photoactive hematite using iron(III) chloride and water SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID THIN-FILMS; SURFACE-CHEMISTRY; OXIDE; OXIDATION; GROWTH; ELECTRODES; NANOTUBES; FERROCENE; REACTOR; OXYGEN AB Nanostructured hematite (alpha-Fe2O3) has been widely studied for use in a variety of thin film applications including solar energy conversion, water oxidation, catalysis, lithium-ion batteries, and gas sensing. Among established deposition methods, atomic layer deposition (ALD) is a leading technique for controlled synthesis of a wide range of nanostructured materials. In this work, ALD of Fe2O3 is demonstrated using FeCl3 and H2O precursors at growth temperatures between 200 and 350 degrees C. Self-limiting growth of Fe2O3 is demonstrated with a growth rate of similar to 0.6 angstrom per cycle. As-deposited, films are nanocrystalline with low chlorine impurities and a mixture of alpha- and gamma-Fe2O3. Post-deposition annealing in O-2 leads to phase-pure alpha-Fe2O3 with increased out-of-plane grain size. Photoelectrochemical measurements under simulated solar illumination reveal high photoactivity toward water oxidation in both as-deposited and post-annealed films. Planar films deposited at low temperature (235 degrees C) exhibit remarkably high photocurrent densities similar to 0.71 mA cm(-2) at 1.53 V vs. the reversible hydrogen electrode (RHE) without further processing. Films annealed in air at 500 degrees C show current densities of up to 0.84 mA cm(-2) (1.53 V vs. RHE). C1 [Klug, Jeffrey A.; Becker, Nicholas G.; Riha, Shannon C.; Martinson, Alex B. F.; Pellin, Michael J.; Proslier, Thomas] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Elam, Jeffrey W.] Argonne Natl Lab, Energy Sci Div, Argonne, IL 60439 USA. RP Klug, JA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jklug@anl.gov; prolier@anl.gov RI Pellin, Michael/B-5897-2008 OI Pellin, Michael/0000-0002-8149-9768 FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]; American Recovery and Reinvestment Act (ARRA) through the US Department of Energy, Office of High Energy Physics Department of Science; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357, DE-SC0001059]; ANSER Center, an Energy Frontier Research Center FX This work was supported by the U.S. Department of Energy, Office of Science under contract no. DE-AC02-06CH11357 and by the American Recovery and Reinvestment Act (ARRA) through the US Department of Energy, Office of High Energy Physics Department of Science. The electron microscopy was accomplished at the Electron Microscopy Center for Materials Research (EMC) at Argonne National Laboratory. The use of the EMC and APS 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 Jonathan Emery for help with setup and data collection at the APS. S. C. R., A. B. F. M., J.W.E and M.J.P were supported as part of the ANSER Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001059. NR 31 TC 18 Z9 18 U1 5 U2 55 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 38 BP 11607 EP 11613 DI 10.1039/c3ta12514a PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 218CH UT WOS:000324409700015 ER PT J AU Sina, M Nam, KW Su, D Pereira, N Yang, XQ Amatucci, GG Cosandey, F AF Sina, M. Nam, K-W. Su, D. Pereira, N. Yang, X-Q. Amatucci, G. G. Cosandey, F. TI Structural phase transformation and Fe valence evolution in FeOxF2-x/C nanocomposite electrodes during lithiation and de-lithiation processes SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID LI-ION BATTERIES; CONVERSION REACTION-MECHANISMS; METAL FLUORIDE NANOCOMPOSITES; ENERGY-LOSS SPECTROSCOPY; X-RAY-DIFFRACTION; SOLID-STATE NMR; IRON FLUORIDE; LITHIUM BATTERIES; THIN-FILMS; CATHODE MATERIALS AB In this study, the structural changes of FeOxF2-x/C during the first discharge and recharge cycles were studied by ex situ electron microscopy techniques including annular dark field scanning transmission electron microscopy (DF-STEM) imaging, selected area electron diffraction (SAED) and electron energy loss spectroscopy (EELS) as well as by in situ X-ray absorption spectroscopy (XAS). The evolution of the valence state of Fe was determined by combined EELS using the Fe-L edge and XAS using the Fe-K edge. The results of this investigation show that the conversion reaction path during 1st lithiation is very different from the re-conversion path during 1st delithiation. During lithiation, intercalation is first observed followed by conversion into a lithiated rocksalt (Li-Fe-O-F) structure, and metallic Fe and LiF phases. During delithiation, the rocksalt phase does not disappear, but co-exists with an amorphous (rutile type) phase formed initially by the reaction of LiF and Fe. However, a de-intercalation stage is still observed at the end of reconversion similar to a single phase process despite the coexistence of these two (rocksalt and amorphous) phases. C1 [Sina, M.; Pereira, N.; Amatucci, G. G.; Cosandey, F.] Rutgers State Univ, Piscataway, NJ 08854 USA. [Nam, K-W.; Yang, X-Q.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Su, D.] Brookhaven Natl Lab, CFN, Upton, NY 11973 USA. [Pereira, N.; Amatucci, G. G.] Rutgers State Univ, ESRG, North Brunswick, NJ 08902 USA. RP Cosandey, F (reprint author), Rutgers State Univ, Piscataway, NJ 08854 USA. EM mahsa20@eden.rutgers.edu; knam@bnl.gov; dsu@bnl.gov; npereira@rci.rutgers.edu; xyang@bnl.gov; gamatucc@rci.rutgers.edu; cosandey@rci.rutgers.edu RI Nam, Kyung-Wan/B-9029-2013; Nam, Kyung-Wan/E-9063-2015; Su, Dong/A-8233-2013 OI Nam, Kyung-Wan/0000-0001-6278-6369; Nam, Kyung-Wan/0000-0001-6278-6369; Su, Dong/0000-0002-1921-6683 FU NECCES, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0001294]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was supported as part of NECCES, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award number DE-SC0001294. The STEM/EELS research was carried out 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 40 TC 17 Z9 17 U1 1 U2 47 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 38 BP 11629 EP 11640 DI 10.1039/c3ta12109g PG 12 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 218CH UT WOS:000324409700018 ER PT J AU Walcarius, A Minteer, SD Wang, J Lin, YH Merkoci, A AF Walcarius, Alain Minteer, Shelley D. Wang, Joseph Lin, Yuehe Merkoci, Arben TI Nanomaterials for bio-functionalized electrodes: recent trends SO JOURNAL OF MATERIALS CHEMISTRY B LA English DT Article ID GLASSY-CARBON ELECTRODE; ORDERED MESOPOROUS CARBON; FREE ELECTROCHEMICAL IMMUNOSENSOR; AMPEROMETRIC ENZYME ELECTRODES; MACROPOROUS GOLD FILM; SILICA THIN-FILMS; GRAPHENE NANOCOMPOSITE FILM; GLUCOSE BIOSENSOR CONSTRUCTION; SIGNAL AMPLIFICATION STRATEGY; INORGANIC HYBRID MATERIALS AB Recent years have faced stimulating developments in the functionalization of electrode surfaces with biological materials, notably due to the significant input of nanosciences and nanotechnology. In this review (over 450 references), we are discussing the interest of both nano-objects (metal nanoparticles and quantum dots, carbon nanotubes and graphene) and nano-engineered and/or nanostructured materials (template-based materials, advanced organic polymers) for the rational design of bio-functionalized electrodes and related (bio)sensing systems. The attractiveness of such nanomaterials relies not only on their ability to act as effective immobilization matrices, which are, e. g., likely to enhance the long-term stability of bioelectrochemical devices, but also on their intrinsic and unique features (large surface areas, electrocatalytic properties, controlled morphology and structure, possible use as labels) that can be advantageously combined with the functioning of biomolecules, thus contributing to improved bioelectrode performance in terms of sensitivity and selectivity (enzymatic biosensors, DNA sensors, immunosensors and cell sensors) or power (biofuel cells). C1 [Walcarius, Alain] Univ Lorraine, CNRS, Lab Chim Phys & Microbiol Environm, UMR 7564, F-54600 Villers Les Nancy, France. [Minteer, Shelley D.] Univ Utah, Dept Chem & Mat Sci, Salt Lake City, UT 84112 USA. [Minteer, Shelley D.] Univ Utah, Dept Engn, Salt Lake City, UT 84112 USA. [Wang, Joseph] Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA. [Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. [Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. [Merkoci, Arben] Campus Univ Autonoma Barcelona, ICREA, Bellaterra 08193, Spain. [Merkoci, Arben] Campus Univ Autonoma Barcelona, ICN2, Bellaterra 08193, Spain. RP Walcarius, A (reprint author), Univ Lorraine, CNRS, Lab Chim Phys & Microbiol Environm, UMR 7564, 405 Rue Vandoeuvre, F-54600 Villers Les Nancy, France. EM alain.walcarius@univ-lorraine.fr; minteer@chem.utah.edu; josephwang@ucsd.edu; Yuehe.Lin@pnnl.gov; arben.merkoci@icn.cat RI Lin, Yuehe/D-9762-2011; WALCARIUS, Alain/G-2727-2013; Wang, Joseph/C-6175-2011; Minteer, Shelley/C-4751-2014 OI Lin, Yuehe/0000-0003-3791-7587; Minteer, Shelley/0000-0002-5788-2249 FU NSF; NATO; DOE; CounterACT Program; National Institutes of Health Office of the Director (NIH OD); National Institute of Neurological Disorders and Stroke (NINDS) [U01 NS058161]; US-DOE [DE-AC05-76RL01830] FX Some authors would like to thank financial supports, respectively from NSF (JW & SDM), NATO (JW & AM), and DOE (JW). YL acknowledges the financial support by the CounterACT Program, National Institutes of Health Office of the Director (NIH OD), and the National Institute of Neurological Disorders and Stroke (NINDS), Grant number U01 NS058161. Pacific Northwest National Laboratory is operated by Battelle for US-DOE under Contract DE-AC05-76RL01830. NR 444 TC 113 Z9 115 U1 23 U2 331 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-750X EI 2050-7518 J9 J MATER CHEM B JI J. Mat. Chem. B PY 2013 VL 1 IS 38 BP 4878 EP 4908 DI 10.1039/c3tb20881h PG 31 WC Materials Science, Biomaterials SC Materials Science GA 218II UT WOS:000324425600001 ER PT J AU Geyer, FL Pun, A Hanifi, D Bunz, UHF Liu, Y AF Geyer, Florian L. Pun, Andrew Hanifi, David Bunz, Uwe H. F. Liu, Yi TI Growth of rylene diimide crystalline layers on aminoalkyl triethoxysilane-monolayers for organic field effect transistor applications SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID THIN-FILM-TRANSISTOR; PERYLENE BISIMIDE DYES; CHARGE-TRANSPORT; MATERIALS DESIGN; SEMICONDUCTORS; NAPHTHALENE; MOLECULES; ELECTRONICS; FABRICATION; MORPHOLOGY AB Macroscopically aligned, crystalline layers are a key requirement for high-performance organic field effect transistors from small molecule organic semiconductors. We investigated the crystallization behavior of n-type semiconducting naphthalene and perylene diimides at the liquid/solid/air interface as a solvent meniscus - evaporation-induced - slowly moved along the surface of a monolayer functionalized Si/SiO2. Amine-terminated, triethoxysilane based functional polar monolayers enforce highly oriented crystallization of the respective rylene diimides at the three-phase border. The electron transporting properties of the resulting crystalline layers of rylene diimides were studied in bottom gate-top electrode field effect transistors, which were shown to be improved up to two orders of magnitude over those of solution casted films. Anisotropic effects expected for crystalline devices were also revealed, which corroborated with the macroscopically oriented crystalline planes observed by polarized optical microscopy. C1 [Geyer, Florian L.; Pun, Andrew; Hanifi, David; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Geyer, Florian L.; Bunz, Uwe H. F.] Heidelberg Univ, Inst Organ Chem, D-69120 Heidelberg, Germany. [Bunz, Uwe H. F.] CAM Ctr Adv Mat, D-69120 Heidelberg, Germany. RP Liu, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM yliu@lbl.gov RI Bunz, Uwe /L-9232-2013; Liu, yi/A-3384-2008; Foundry, Molecular/G-9968-2014 OI Liu, yi/0000-0002-3954-6102; FU Office of Science, Office of Basic Energy Sciences of the U. S. Department of Energy [DE-AC02-05 CH11231] FX This work was performed at the Molecular Foundry and supported by the Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy under contract no. DE-AC02-05 CH11231. NR 50 TC 2 Z9 2 U1 4 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2013 VL 1 IS 40 BP 6661 EP 6666 DI 10.1039/c3tc31162g PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 225CM UT WOS:000324940000020 ER PT J AU Delacourt, C Kwong, A Liu, X Qiao, R Yang, WL Lu, P Harris, SJ Srinivasan, V AF Delacourt, C. Kwong, A. Liu, X. Qiao, R. Yang, W. L. Lu, P. Harris, S. J. Srinivasan, V. TI Effect of Manganese Contamination on the Solid-Electrolyte-Interphase Properties in Li-Ion Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID EDGE PLANE GRAPHITE; RECHARGEABLE BATTERIES; SPINEL CELLS; LITHIUM; LIMN2O4; PERFORMANCE; INSERTION; SURFACE; MECHANISMS; DEPOSITION AB Comprehensive experiments are carried out in order to gain insight into the effect of manganese contamination of the solid electrolyte interphase at the anode in Li-ion batteries. Electrochemistry shows that surface films contaminated with Mn are not passive toward electrolyte decomposition and are electroactive. Soft X-ray spectroscopy shows that the Mn is at +2 oxidation state in the film, just like Mn ions in the electrolyte. We believe Mn2+ from the electrolyte reduces to Mn-0 at the electrode surface and Mn-0 further reoxidizes by reacting with solvent molecules. Although not detected in soft X-ray spectra, it is possible that Mn-0 is present in an amount high enough to allow for an electron leakage through the film, thereby suppressing passivation. Mn trapped in the film reversibly reacts with lithium according to a conversion reaction. It is a multiphase transformation yielding severe structural changes, hence the film undergoes severe morphological changes during cycling, thereby favoring electrolyte decomposition and further film growth. In this regard, Mn contamination of the SEI therefore promotes a larger cyclable lithium loss at the anode as compared to a Mn-free SEI, and thereby a persistent capacity loss of graphite/LMO cells. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Delacourt, C.; Kwong, A.; Srinivasan, V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Delacourt, C.] Univ Picardie Jules Verne, CNRS UMR 7314, Lab React & Chim Solides, Amiens, France. [Kwong, A.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Liu, X.; Qiao, R.; Yang, W. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Lu, P.] Gen Motors R&D Ctr, Warren, MI 48090 USA. [Harris, S. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Delacourt, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM charles.delacourt@u-picardie.fr RI Qiao, Ruimin/E-9023-2013; Yang, Wanli/D-7183-2011 OI Yang, Wanli/0000-0003-0666-8063 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX 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. NR 32 TC 34 Z9 34 U1 3 U2 66 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 8 BP A1099 EP A1107 DI 10.1149/2.035308jes PG 9 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 223MP UT WOS:000324810000013 ER PT J AU Jampani, PH Kadakia, K Hong, DH Epur, R Poston, JA Manivannan, A Kumta, PN AF Jampani, Prashanth H. Kadakia, Karan Hong, Dae Ho Epur, Rigved Poston, James A. Manivannan, Ayyakkannu Kumta, Prashant N. TI CVD Derived Vanadium Oxide Nano-Sphere-Carbon Nanotube (CNT) Nano-Composite Hetero-Structures: High Energy Supercapacitors SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; THIN-FILMS; ELECTROCHEMICAL CAPACITORS; MANGANESE OXIDE; HYDROUS RUO2; INTERCALATION PROPERTIES; NANOSTRUCTURED MATERIALS; LITHIUM INTERCALATION; ION SUPERCAPACITORS; ANODIC DEPOSITION AB We present herein a facile two-step chemical vapor deposition (CVD) approach to synthesize carbon nanotube (CNT) supported vanadium oxide nanosphere nano-composite hetero-structures as electrochemical supercapacitors. The high electronic conductivity of CNTs has been exploited to provide a 3-D electron transport medium on which vanadium oxide nano-droplets interact with electrolyte to exhibit excellent supercapacitor behavior in aqueous media. Thin nano-scale droplets of vanadium oxide deposited on the CNTs exhibit excellent capacitance values as high as 1400 Fg(-1) with good rate capability and excellent charge retention up to 200 cycles. The electrochemical mechanisms and materials properties responsible for the supercapacitor properties of CNT supported vanadium oxide have been discussed at length. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Jampani, Prashanth H.; Kadakia, Karan; Kumta, Prashant N.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Hong, Dae Ho; Kumta, Prashant N.] Univ Pittsburgh, Dept Bioengn, Pittsburgh, PA 15261 USA. [Epur, Rigved; Kumta, Prashant N.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Poston, James A.; Manivannan, Ayyakkannu] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Kumta, Prashant N.] Univ Pittsburgh, Ctr Complex Engn Multifunct Mat, Pittsburgh, PA 15261 USA. RP Jampani, PH (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. EM pkumta@pitt.edu RI Jampani Hanumantha, Prashanth/A-9840-2013 OI Jampani Hanumantha, Prashanth/0000-0001-7159-1993 FU National Science Fund [CBET-0933141] FX Research supported by the National Science Fund, under Award CBET-0933141. PNK acknowledges the Edward R. Weidlein Chair Professorship funds and the Center for Complex Engineered Multifunctional Materials (CCEMM) for procuring the electrochemical equipment used in this research work. The authors acknowledge the support of Dr. Susheng Tan, Nanoscale Fabrication and Characterization Facility at the University of Pittsburgh for help with Transmission Electron Microscopy. NR 71 TC 12 Z9 12 U1 6 U2 51 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 8 BP A1118 EP A1127 DI 10.1149/2.033308jes PG 10 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 223MP UT WOS:000324810000016 ER PT J AU Liang, G Croft, MC Zhong, Z AF Liang, Gan Croft, Mark C. Zhong, Zhong TI Energy Dispersive X-ray Diffraction Profiling of Prototype LiMn2O4-Based Coin Cells SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article AB This study demonstrates the feasibility of using energy dispersive X-ray diffraction (EDXRD) to characterize the internal structure and chemical composition of coin cell type Li-ion batteries. CR2032 coin cell batteries containing Li1-xMn1.42Ni0.42Co0.16O4 cathode were studied and profiled by collecting 70 EDXRD patterns collected at equal spatial intervals between top and bottom of charged and discharged coin cells of about 3.2 mm thickness. Diffraction profiling of the discharged cell manifests the spinel structure with essentially constant Li content across the entire cathode. In contrast, the Bragg lines of the charged cathode cell shift to higher energy, consistent with a lattice contraction with decreased Li content. The charged-cell spectrum Bragg lines are also broadened due to two phase behavior and exhibit a distinct Li-content gradient across the cathode. The detailed electrochemical phases of the cathode materials and other layers of materials in these prototype LiMn2O4-based coin cells have been profiled, using EDXRD, as a function of z-position in the interior of the cells. Our results demonstrate that EDXRD characterization of the crystal structures and phase distribution of coin cell batteries in space and under different charge/discharge conditions should be routinely feasible. (C) 2013 The Electrochemical Society. C1 [Liang, Gan] Sam Houston State Univ, Dept Phys, Huntsville, TX 77341 USA. [Croft, Mark C.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Croft, Mark C.; Zhong, Zhong] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Liang, G (reprint author), Sam Houston State Univ, Dept Phys, Huntsville, TX 77341 USA. EM phy_gnl@shsu.edu FU National Science Foundation [CHE-0718482]; Research Corporation for Science Advancement; Faculty Research grant (FRG) from Sam Houston State University; US Department of Energy [DE-AC02-76CH00016] FX This work was supported by the National Science Foundation under Grants No. CHE-0718482, an award from Research Corporation for Science Advancement, and an Faculty Research grant (FRG) from Sam Houston State University. Utilization of the National Synchotron Light Source (NSLS) was supported by US Department of Energy contract DE-AC02-76CH00016. The authors thank Dr. Jun Liu at the University of Texas at Austin for providing part of the coin cell battery samples for this study. NR 11 TC 6 Z9 6 U1 1 U2 7 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 8 BP A1299 EP A1303 DI 10.1149/2.115308jes PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 223MP UT WOS:000324810000042 ER PT J AU Wei, XL Nie, ZM Luo, QT Li, B Sprenkle, V Wang, W AF Wei, Xiaoliang Nie, Zimin Luo, Qingtao Li, Bin Sprenkle, Vincent Wang, Wei TI Polyvinyl Chloride/Silica Nanoporous Composite Separator for All-Vanadium Redox Flow Battery Applications SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID RESEARCH-AND-DEVELOPMENT; ENERGY-STORAGE; PROGRESS; MEMBRANES; CELL AB We demonstrate application of a commercial nanoporous polyvinyl chloride (PVC)/silica separator in an all-vanadium redox flow battery (VRB) as a low-cost alternative to expensive Nafion membranes. This hydrophilic separator is composed of silica particles enmeshed in a PVC matrix that creates unique porous structures. These nano-scale pores with an average pore size of 45 nm and a porosity of 65% serve as ion transport channels that are critically important for flow battery operation. The VRB flow cell using the PVC/silica separator produces excellent electrochemical performance in a mixed-acid VRB system with average energy efficiency (EE) of 79% at the current density of 50 mA.cm(-2). This separator affords the VRB flow cell with excellent rate capability with its EE higher than that of Nafion membrane at current densities above 100 mA.cm(-2). With this separator, the EE of the VRB flow cell exhibits great tolerance to temperature fluctuations in the typical operational temperature range of the mixed-acid VRB system. More importantly, the flow cell using the separator demonstrates an excellent capacity retention over cycling, which enables the VRB system to operate in the long term with minimal electrolyte maintenance. (C) 2013 The Electrochemical Society. C1 [Wei, Xiaoliang; Nie, Zimin; Luo, Qingtao; Li, Bin; Sprenkle, Vincent; Wang, Wei] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wei, XL (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM wei.wang@pnnl.gov RI Wang, Wei/F-4196-2010 OI Wang, Wei/0000-0002-5453-4695 FU U.S. Department of Energy's (DOE's) Office of Electricity Delivery & Energy Reliability (OE) [57558]; DOE [DE-AC05-76RL01830] FX The authors acknowledge financial support from the U.S. Department of Energy's (DOE's) Office of Electricity Delivery & Energy Reliability (OE) (under Contract No. 57558). We are also grateful for the discussions with Dr. Imre Gyuk of the DOE-OE Grid Storage Program. Pacific Northwest National Laboratory is a multiprogram national laboratory operated by Battelle for DOE under Contract DE-AC05-76RL01830. NR 30 TC 12 Z9 12 U1 9 U2 47 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 8 BP A1215 EP A1218 DI 10.1149/2.087308jes PG 4 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 223MP UT WOS:000324810000030 ER PT J AU Zhang, XF Xu, R Li, L Yu, C Ren, Y Belharouak, I AF Zhang, Xiaofeng Xu, Rui Li, Li Yu, Cun Ren, Yang Belharouak, Ilias TI A Study of High-Voltage LiNi0.5Mn1.5O4 and High-Capacity Li1.5Ni0.25Mn0.75O2.5 Blends SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM-ION BATTERIES; NICKEL-MANGANESE-OXIDES; CATHODE MATERIALS; ELECTRODES; SPINEL; TRANSITION; BEHAVIOR; MN; NI; CO AB Spinel-layered (S-L) cathode blends of LiNi0.5Mn1.5O4-delta and Li1.5Ni0.25Mn0.75O2.5 were prepared by physical mixing during electrode fabrication. The incorporation of the spinel component in the blends (S: L ratio = 1: 1) has led to the following advantages: 1) the initial-cycle efficiency, which is usually lower than 80% for the layered component, increased to 90% as the extra capacity of the spinel below 3.0 V could be utilized in the blends; 2) the rate capability of the cells was improved and reached a maximum for the blend; 3) the cycling behavior of the cells was comparable to that of the pure layered component, but superior to that of the pure spinel component cycled between 2.0 and 4.8 V. The study revealed that the introduction of the spinel component in the blends could mitigate some of the weaknesses of the layered component, and vice versa. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Zhang, Xiaofeng; Xu, Rui; Li, Li; Belharouak, Ilias] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Xu, Rui] Univ Rochester, Mat Sci Program, Rochester, NY 14627 USA. [Li, Li] Beijing Inst Technol, Sch Chem Engn & Environm, Beijing 100081, Peoples R China. [Yu, Cun; Ren, Yang] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Lemont, IL 60439 USA. RP Zhang, XF (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM belharouak@anl.gov FU U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; U.S. Department of Energy's Vehicle Technologies Program FX 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. Support from the U.S. Department of Energy's Vehicle Technologies Program, specifically from Peter Faguy and Dave Howell, is gratefully acknowledged. The authors are also grateful to the Advanced Photon Source for the XRD measurements. NR 29 TC 9 Z9 9 U1 2 U2 27 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 8 BP A1079 EP A1083 DI 10.1149/2.014308jes PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 223MP UT WOS:000324810000010 ER PT J AU Zheng, JM Xiao, J Nie, ZM Zhang, JG AF Zheng, Jianming Xiao, Jie Nie, Zimin Zhang, Ji-Guang TI Lattice Mn3+ Behaviors in Li4Ti5O12/LiNi0.5Mn1.5O4 Full Cells SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM-ION BATTERIES; INSERTION MATERIAL; CATHODE MATERIALS; SITE DISORDER; CYCLE LIFE; LINI0.5MN1.5O4; SUBSTITUTION; ELECTROLYTE; PERFORMANCE; GRAPHITE AB High voltage spinels LiNi0.5Mn1.5O4 (LNMO) with different contents of residual lattice Mn3+ have been evaluated in full cells using Li4Ti5O12 (LTO) as anode. Greatly improved cycling stability has been observed for all spinels in LTO-limited full cell, compared with those in LNMO-limited ones, while the underlying mechanisms are quite different. "Shallow cycling" of LNMO in LTO-limited cells does not require complete transition to the third cubic phase, reducing the phase boundaries that Li+ has to overcome and thus improving the cell performances. However, in LNMO-limited cells, influences of lattice Mn3+ are more easily exemplified in the Li+ deficient environment and superior electrochemical performance are observed for spinel with higher content of lattice Mn3+. (C) 2013 The Electrochemical Society. C1 [Zheng, Jianming; Xiao, Jie; Nie, Zimin; Zhang, Ji-Guang] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zheng, JM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jie.xiao@pnnl.gov; Jiguang.zhang@pnnl.gov RI Zheng, Jianming/F-2517-2014 OI Zheng, Jianming/0000-0002-4928-8194 FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Vehicle Technologies of the U.S. Department of Energy under the Batteries for Advanced Transportation Technologies (BATT) Program [18769] FX This work was 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, Subcontract No. 18769 under the Batteries for Advanced Transportation Technologies (BATT) Program. NR 23 TC 9 Z9 10 U1 1 U2 40 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 8 BP A1264 EP A1268 DI 10.1149/2.097308jes PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 223MP UT WOS:000324810000036 ER PT J AU Papandrew, AB Atkinson, RW Goenaga, GA Kocha, SS Zack, JW Pivovar, BS Zawodzinski, TA AF Papandrew, Alexander B. Atkinson, Robert W., III Goenaga, Gabriel A. Kocha, Shyam S. Zack, Jason W. Pivovar, Bryan S. Zawodzinski, Thomas A., Jr. TI Oxygen Reduction Activity of Vapor-Grown Platinum Nanotubes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID PEM FUEL-CELLS; ELECTROCATALYSTS; CATALYSTS; SIZE; ELECTROLYTE; ACID AB Supportless platinum nanotubes (PtNTs) were synthesized by the decomposition of platinum acetylacetonate vapor within anodic alumina templates at 210 degrees C. As synthesized, the nanotubes are nanoparticulate aggregates composed of Pt crystallites approximately 3 nm in diameter and with a range of lengths from 1 mu m to 20 mu m. Annealing treatments result in crystallite growth and morphological evolution of the tubular nanostructures including the development of nanoscale porosity. In rotating disk electrode measurements carried out in 0.1MHClO(4), porous PtNTs annealed at 500 degrees C exhibited a specific activity for oxygen reduction of 2390 +/- 423 mu A/cm(Pt)(2) at 0.9 V, comparable to bulk polycrystalline Pt. The electrochemical surface area of the annealed structures was a relatively low 10 m(2)/g, resulting in a moderate overall mass activity of 240 +/- 41 mA/mg(Pt). (C) 2013 The Electrochemical Society. All rights reserved. C1 [Papandrew, Alexander B.; Atkinson, Robert W., III; Goenaga, Gabriel A.; Zawodzinski, Thomas A., Jr.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Kocha, Shyam S.; Zack, Jason W.; Pivovar, Bryan S.] Natl Renewable Energy Lab, Golden, CO 80402 USA. [Zawodzinski, Thomas A., Jr.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Papandrew, AB (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. EM apapandrew@utk.edu FU U.S. Department of Energy Fuel Cell Technologies Program [DE-AC36-08-GO28308] FX This work was supported by a grant from the U.S. Department of Energy Fuel Cell Technologies Program under Contract No. DE-AC36-08-GO28308 to the National Renewable Energy Laboratory. A. B. P. thanks John Dunlap for assistance with TEM imaging. NR 22 TC 19 Z9 19 U1 8 U2 37 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 8 BP F848 EP F852 DI 10.1149/2.090308jes PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 223MP UT WOS:000324810000089 ER PT J AU Cho, KT Ridgway, P Weber, AZ Haussener, S Battaglia, V Srinivasan, V AF Cho, Kyu Taek Ridgway, Paul Weber, Adam Z. Haussener, Sophia Battaglia, Vincent Srinivasan, Venkat TI High Performance Hydrogen/Bromine Redox Flow Battery for Grid-Scale Energy Storage (vol 159, pg A1806, 2012) SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Correction C1 [Cho, Kyu Taek; Ridgway, Paul; Weber, Adam Z.; Haussener, Sophia; Battaglia, Vincent; Srinivasan, Venkat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Haussener, Sophia] Ecole Polytech Fed Lausanne, Inst Engn Mech, CH-1015 Lausanne, Switzerland. RP Cho, KT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. NR 1 TC 1 Z9 1 U1 1 U2 18 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2013 VL 160 IS 8 BP X9 EP X9 DI 10.1149/2.006308jes PG 1 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 223MP UT WOS:000324810000120 ER PT J AU Ohodnicki, PR Buric, MP Brown, TD Matranga, C Wang, CJ Baltrus, J Andio, M AF Ohodnicki, Paul R., Jr. Buric, Michael P. Brown, Thomas D. Matranga, Christopher Wang, Congjun Baltrus, John Andio, Mark TI Plasmonic nanocomposite thin film enabled fiber optic sensors for simultaneous gas and temperature sensing at extreme temperatures SO NANOSCALE LA English DT Article ID DOPED TIO2; RESONANCE; SENSITIVITY; DEPENDENCE; CO AB Embedded sensors capable of operation in extreme environments including high temperatures, high pressures, and highly reducing, oxidizing and/or corrosive environments can make a significant impact on enhanced efficiencies and reduced greenhouse gas emissions of current and future fossil-based power generation systems. Relevant technologies can also be leveraged in a wide range of other applications with similar needs including nuclear power generation, industrial process monitoring and control, and aviation/aerospace. Here we describe a novel approach to embedded sensing under extreme temperature conditions by integration of Au-nanoparticle based plasmonic nanocomposite thin films with optical fibers in an evanescent wave absorption spectroscopy configuration. Such sensors can potentially enable simultaneous temperature and gas sensing at temperatures approaching 9001000 degrees C in a manner compatible with embedded and distributed sensing approaches. The approach is demonstrated using the Au/SiO2 system deposited on silica-based optical fibers. Stability of optical fibers under relevant high temperature conditions and interactions with changing ambient gas atmospheres is an area requiring additional investigation and development but the simplicity of the sensor design makes it potentially cost-effective and may offer a potential for widespread deployment. C1 [Ohodnicki, Paul R., Jr.; Buric, Michael P.; Brown, Thomas D.; Matranga, Christopher; Wang, Congjun; Baltrus, John; Andio, Mark] US DOE, Natl Energy Technol Lab, Washington, DC 20585 USA. [Ohodnicki, Paul R., Jr.] Carnegie Mellon Univ, Mat Sci & Engn Dept, Pittsburgh, PA 15213 USA. [Wang, Congjun] URS Corp, South Pk, PA USA. RP Ohodnicki, PR (reprint author), US DOE, Natl Energy Technol Lab, Washington, DC 20585 USA. EM paul.ohodnicki@netl.doe.gov RI Matranga, Christopher/E-4741-2015 OI Matranga, Christopher/0000-0001-7082-5938 FU U. S. DOE Advanced Research/Cross-cutting Technologies program at the National Energy Technology Laboratory; agency of the United States Government FX This work was funded by the U. S. DOE Advanced Research/Cross-cutting Technologies program at the National Energy Technology Laboratory. This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 48 TC 34 Z9 34 U1 1 U2 62 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 19 BP 9030 EP 9039 DI 10.1039/c3nr02891g PG 10 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 219JA UT WOS:000324500900036 PM 23948985 ER PT J AU Alonzo, J Kochemba, WM Pickel, DL Ramanathan, M Sun, ZZ Li, DW Chen, JH Sumpter, BG Heller, WT Kilbey, SM AF Alonzo, Jose Kochemba, W. Michael Pickel, Deanna L. Ramanathan, Muruganathan Sun, Zhenzhong Li, Dawen Chen, Jihua Sumpter, Bobby G. Heller, William T. Kilbey, S. Michael, II TI Assembly and organization of poly(3-hexylthiophene) brushes and their potential use as novel anode buffer layers for organic photovoltaics SO NANOSCALE LA English DT Article ID POLYMER SOLAR-CELLS; GRIGNARD METATHESIS POLYMERIZATION; NEUTRON REFLECTIVITY MEASUREMENTS; MOLECULAR-WEIGHT; COPOLYMER BRUSHES; THIN-FILMS; POLY(3-ALKYLTHIOPHENES); PERFORMANCE; INTERFACE; DEVICES AB Buffer layers that control electrochemical reactions and physical interactions at electrode/film interfaces are key components of an organic photovoltaic cell. Here the structure and properties of layers of semirigid poly(3-hexylthiophene) (P3HT) chains tethered at a surface are investigated, and these functional systems are applied in an organic photovoltaic device. Areal density of P3HT chains is readily tuned through the choice of polymer molecular weight and annealing conditions, and insights from optical absorption spectroscopy and semiempirical quantum calculation methods suggest that tethering causes intrachain defects that affect co-facial pi-stacking of brush chains. Because of their ability to modify oxide surfaces, P3HT brushes are utilized as an anode buffer layer in a P3HT-PCBM (phenyl-C-61-butyric acid methyl ester) bulk heterojunction device. Current-voltage characterization shows a significant enhancement in short circuit current, suggesting the potential of these novel nanostructured buffer layers to replace the PEDOT:PSS buffer layer typically applied in traditional P3HT-PCBM solar cells. C1 [Alonzo, Jose; Heller, William T.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Kochemba, W. Michael; Kilbey, S. Michael, II] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Kochemba, W. Michael; Kilbey, S. Michael, II] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Pickel, Deanna L.; Ramanathan, Muruganathan; Chen, Jihua; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sun, Zhenzhong; Li, Dawen] Univ Alabama, Dept Elect & Comp Engn, Tuscaloosa, AL 35487 USA. [Sun, Zhenzhong; Li, Dawen] Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Kilbey, SM (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM mkilbey@utk.edu RI Chen, Jihua/F-1417-2011; Sumpter, Bobby/C-9459-2013 OI Chen, Jihua/0000-0001-6879-5936; Sumpter, Bobby/0000-0001-6341-0355 FU NSF RII grant [NSF EPSCoR EPS 1004083]; NSF [ECCS-1151140]; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX WMK and SMKII acknowledge support from a NSF RII grant (NSF EPSCoR EPS 1004083) that enabled the syntheses of the polymers used herein and DL acknowledges support from NSF (award #ECCS-1151140). A portion of this research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. A portion of this research was conducted at the Center for Nanophase Materials Sciences and at the Spallation Neutron Source, which are sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 55 TC 9 Z9 9 U1 1 U2 47 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 19 BP 9357 EP 9364 DI 10.1039/c3nr02226a PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 219JA UT WOS:000324500900078 PM 23955069 ER PT J AU Dumas, T Charbonnel, MC Charushnikova, IA Conradson, SD Fillaux, C Hennig, C Moisy, P Petit, S Scheinost, AC Shuh, DK Tyliszczak, T Den Auwer, C AF Dumas, Thomas Charbonnel, Marie Christine Charushnikova, Iraida A. Conradson, Steven D. Fillaux, Clara Hennig, Christoph Moisy, Philippe Petit, Sebastien Scheinost, Andreas C. Shuh, David K. Tyliszczak, Tolek Den Auwer, Christophe TI Multi-edge X-ray absorption spectroscopy of thorium, neptunium and plutonium hexacyanoferrate compounds SO NEW JOURNAL OF CHEMISTRY LA English DT Article ID PRUSSIAN BLUE; CRYSTAL-STRUCTURE; BRIDGED COMPLEX; CYANIDE; DIFFRACTION; FE; COORDINATION; FERRICYANIDE; MONOHYDRATE; ANISOTROPY AB Although transition metal cyano bimetallic compounds have been well known for decades for their interesting optical and magnetic properties, reports on actinide hexacyanoferrate compounds are scarce. For instance, a thorough structural description is still lacking. Another question is the possible covalency or charge transfer effects in these materials that are known to foster electron delocalization with a large variety of transition metal cations. In this paper, new members of the actinide(IV) hexacyanoferrates have been synthesized with Th, Np and Pu. This is the first review of thorium to plutonium hexacyanoferrate compounds since the early investigations during the Manhattan Project some 70 years ago. We have carried out an extensive structural characterization using powder X-ray Diffraction (XRD), X-ray Absorption Spectroscopy (XAS) and X-ray microscopy for the plutonium adduct. The crystallographic space group of microcrystalline Th, Np and Pu hexacyanoferrate compounds appears to be very similar to that of the early lanthanide adducts, suggesting that the tetravalent actinides are arranged in a tricapped trigonal prismatic polyhedron of coordination number 9, in which the actinide atom is bonded to six nitrogen atoms and to three water molecules. Further combined analysis of the iron K-edge and actinide L-III-edge EXAFS data and XRD data provided the basis for a three-dimensional molecular model. Structural data in terms of actinide-ligand bond lengths have been compared to those reported for the parent lanthanide(III) compounds, confirming the structural similarities. In addition, two new structures with the thorium cation have been obtained and described using single-crystal XRD: (H5O2)[Th(DMF)(5)(H2O)](2)[Fe(CN)(6)](3) and [Th(DMF)(4)(H2O)(3)][Fe(CN)(6)](NO3)center dot 2H(2)O. This structural description of the Th, Np and Pu hexacyanoferrate system will be followed by a semi-quantitative electronic description of the actinide-cyano bond using NEXAFS data analysis in a coming paper. C1 [Dumas, Thomas; Charbonnel, Marie Christine; Charushnikova, Iraida A.; Fillaux, Clara; Moisy, Philippe; Petit, Sebastien; Den Auwer, Christophe] CEA, Nucl Energy Div, RadioChemy & Proc Dept, F-30207 Bagnols Sur Ceze, France. [Dumas, Thomas; Hennig, Christoph; Scheinost, Andreas C.] Helmholtz Zentrum Dresden Rossendorf, D-01314 Dresden, Germany. [Charushnikova, Iraida A.] Russian Acad Sci, AN Frumkin Inst Phys Chem & Electrochem, Moscow 119071, Russia. [Conradson, Steven D.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Shuh, David K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source Div, Berkeley, CA 94720 USA. [Tyliszczak, Tolek] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Den Auwer, Christophe] Univ Nice Sophia Antipolis, Nice Chem Inst, UMR 7272, F-06108 Nice, France. RP Den Auwer, C (reprint author), CEA, Nucl Energy Div, RadioChemy & Proc Dept, F-30207 Bagnols Sur Ceze, France. EM christophe.denauwer@unice.fr RI Scheinost, Andreas/D-2275-2010; The Rossendorf Beamline at ESRF, ROBL/A-2586-2011; dumas, thomas/B-5950-2016; CHARBONNEL, Marie-Christine/C-2466-2016; Moisy, Philippe/H-2477-2015 OI dumas, thomas/0000-0001-6425-6484; CHARBONNEL, Marie-Christine/0000-0002-0552-7405; Moisy, Philippe/0000-0002-9331-0846 FU CEA/DEN under the RBPCH Program of Basic Research in Chemistry; European IRSES program under HEXANE project [230807]; Office of Science, Office of Basic Energy Sciences [ALS/11-0-2/LBNL]; Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL FX This work was supported by CEA/DEN under the RBPCH Program of Basic Research in Chemistry and the European IRSES program under HEXANE project (number 230807). XAS experiments were performed at the European synchrotron ESRF/ROBL beamline of the Helmholtz Zentrum Dresden Rossendorf, at SSRL/11-2, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences and at ALS/11-0-2/LBNL supported by the 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. NR 52 TC 1 Z9 1 U1 7 U2 50 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1144-0546 EI 1369-9261 J9 NEW J CHEM JI New J. Chem. PY 2013 VL 37 IS 10 BP 3003 EP 3016 DI 10.1039/c3nj00318c PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA 222VA UT WOS:000324758700010 ER PT B AU Klein, RI AF Klein, Richard I. BE Pogorelov, NV Audit, E Zank, GP TI The Coupled Effects of Protostellar Outflows, Radiation Feedback, and Magnetic Fields on the Formation of Massive Stars SO NUMERICAL MODELING OF SPACE PLASMA FLOWS ASTRONUM-2012 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 7th Annual International Conference on Numerical Modeling of Space Plasma Flows CY JUN 25-29, 2012 CL Big Isl, HI SP Univ Alabama, Ctr Space Plasma & Aeronom Res, CEA CNRS, Maison Simulat ID ADAPTIVE MESH REFINEMENT; HYDRODYNAMIC SIMULATIONS; FRAGMENTATION; CORES; COLLAPSE; TURBULENCE; ACCRETION; EVOLUTION AB Feedback processes from massive stars plays a critical role in their formation, destroy the molecular clouds in which they are born and shape the evolution of galaxies. In this brief paper I will discuss our recent 3D AMR simulations that are the first to include the coupled feedback effects of protostellar outflows combined with protostellar heating, radiation pressure feedback and magnetic fields, in a single computation of a turbulent molecular cloud core and their effects on the infalling dusty gas in the surrounding environs of the accreting core envelope. These simulations will address the detailed effects of feedback on the formation of high mass stars and massive clusters with implications for the IMF. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Klein, RI (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM klein@astro.berkeley.edu NR 25 TC 0 Z9 0 U1 0 U2 1 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-832-9 J9 ASTR SOC P PY 2013 VL 474 BP 90 EP 97 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BGW86 UT WOS:000324446200014 ER PT B AU Li, ST Li, H AF Li, Shengtai Li, Hui BE Pogorelov, NV Audit, E Zank, GP TI Verification of Proto-Planet Runaway Migration in a Massive Disk SO NUMERICAL MODELING OF SPACE PLASMA FLOWS ASTRONUM-2012 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 7th Annual International Conference on Numerical Modeling of Space Plasma Flows CY JUN 25-29, 2012 CL Big Isl, HI SP Univ Alabama, Ctr Space Plasma & Aeronom Res, CEA CNRS, Maison Simulat ID ACCRETION; TORQUES AB Runaway migration of a proto-planet was first proposed and observed by Masset and Papaloizou (2003). D' Angelo et al. (2005) solved the same problem with locally refined grid and found that the migration rate is sharply reduced and no runaway occurs when the grid cells surrounding the planet are refined enough. To verify these two seemly contradictory results, we independently perform high-resolution simulations, solving the same problem as Masset and Papaloizou (2003), with and without disk self-gravity. Our numerical results confirm that the runaway migration indeed exists under certain circumstances. Our results also show that the torque from the co-orbital region, in particular the planet's Hill sphere, is the main contributor to the runaway migration. C1 [Li, Shengtai; Li, Hui] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Li, ST (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. EM sli@lanl.gov NR 11 TC 0 Z9 0 U1 0 U2 2 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-832-9 J9 ASTR SOC P PY 2013 VL 474 BP 104 EP 109 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BGW86 UT WOS:000324446200016 ER PT B AU Philip, B Wang, Z Berrill, M Rodriguez, M Pernice, M AF Philip, B. Wang, Z. Berrill, M. Rodriguez, M. Pernice, M. BE Pogorelov, NV Audit, E Zank, GP TI Adaptive Implicit Non-Equilibrium Radiation Diffusion SO NUMERICAL MODELING OF SPACE PLASMA FLOWS ASTRONUM-2012 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 7th Annual International Conference on Numerical Modeling of Space Plasma Flows CY JUN 25-29, 2012 CL Big Isl, HI SP Univ Alabama, Ctr Space Plasma & Aeronom Res, CEA CNRS, Maison Simulat ID TIME INTEGRATION; ALGORITHM; EQUATIONS AB We describe methods for accurate and efficient long term time integration of non-equilibrium radiation diffusion systems: implicit time integration for efficient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence. C1 [Philip, B.; Wang, Z.; Berrill, M.; Rodriguez, M.] Oak Ridge Natl Lab, Comp & Computat Sci Directorate, Oak Ridge, TN 37831 USA. RP Philip, B (reprint author), Oak Ridge Natl Lab, Comp & Computat Sci Directorate, POB 2008, Oak Ridge, TN 37831 USA. NR 19 TC 0 Z9 0 U1 0 U2 4 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-832-9 J9 ASTR SOC P PY 2013 VL 474 BP 271 EP 276 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BGW86 UT WOS:000324446200040 ER PT B AU Weber, GH Childs, H Meredith, JS AF Weber, Gunther H. Childs, Hank Meredith, Jeremy S. BE Pogorelov, NV Audit, E Zank, GP TI Recent Advances in VisIt: Parallel Crack-free Isosurface Extraction SO NUMERICAL MODELING OF SPACE PLASMA FLOWS ASTRONUM-2012 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 7th Annual International Conference on Numerical Modeling of Space Plasma Flows CY JUN 25-29, 2012 CL Big Isl, HI SP Univ Alabama, Ctr Space Plasma & Aeronom Res, CEA CNRS, Maison Simulat AB We present a new method for extracting crack-free isosurfaces from adaptive mesh refinement (AMR) data. This method builds on prior work, which utilizes dual grids and stitch cells that fill the resulting gaps. To simplify implementation of stitch cell generation, we propose a case-table-based approach. The most significant benefit of our new technique is that it uses ghost data to handle parallel isosurface extraction in a distributed memory environment efficiently. C1 [Weber, Gunther H.; Childs, Hank] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Weber, GH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd,MS50F, Berkeley, CA 94720 USA. NR 9 TC 0 Z9 0 U1 0 U2 2 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-832-9 J9 ASTR SOC P PY 2013 VL 474 BP 293 EP 298 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BGW86 UT WOS:000324446200043 ER PT J AU Mudiyanselage, K Kim, HY Senanayake, SD Baber, AE Liu, P Stacchiola, D AF Mudiyanselage, Kumudu Kim, Hyun You Senanayake, Sanjaya D. Baber, Ashleigh E. Liu, Ping Stacchiola, Dario TI Probing adsorption sites for CO on ceria SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID GAS SHIFT REACTION; OXYGEN-INDUCED RECONSTRUCTIONS; CARBON-MONOXIDE; IN-SITU; CU(111) SURFACE; AU NANOCLUSTERS; OXIDATION; OXIDE; CATALYST; COPPER AB Ceria based catalysts show remarkable activity for CO conversion reactions such as CO oxidation and the water-gas shift reaction. The identification of adsorption sites on the catalyst surfaces is essential to understand the reaction mechanisms of these reactions, but the complexity of heterogeneous powder catalysts and the propensity of ceria to easily change oxidation states in the presence of small concentrations of either oxidizing or reducing agents make the process difficult. In this study, the adsorption of CO on CuOx/Cu(111) and CeOx/Cu(111) systems has been studied using infrared reflection absorption spectroscopy (IRRAS), X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) calculations. IR peaks for the adsorbed CO on O/Cu(111) with only chemisorbed oxygen, well-ordered Cu2O/Cu(111) and disordered copper oxide [CuOx/Cu(111)] were observed at 2070-2072, 2097-2098 and 2101-2111 cm(-1), respectively. On CeOx/Cu(111) systems CO chemisorbs at 90 K only on Cu sites under ultra-high vacuum (UHV) conditions, whereas at elevated CO pressures and low temperatures adsorption of CO on Ce3+ is observed, with a corresponding IR peak at 2162 cm(-1). These experimental results are further supported by DFT calculations, and help to unequivocally distinguish the presence of Ce3+ cations on catalyst samples by using CO as a probe molecule. C1 [Mudiyanselage, Kumudu; Senanayake, Sanjaya D.; Baber, Ashleigh E.; Stacchiola, Dario] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Kim, Hyun You; Liu, Ping] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Stacchiola, D (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM djs@bnl.gov RI Stacchiola, Dario/B-1918-2009; Senanayake, Sanjaya/D-4769-2009; Mudiyanselage, Kumudu/B-2277-2013 OI Stacchiola, Dario/0000-0001-5494-3205; Senanayake, Sanjaya/0000-0003-3991-4232; Mudiyanselage, Kumudu/0000-0002-3539-632X FU US Department of Energy (Chemical Sciences Division) [DE-AC02-98CH10886] FX The work carried out at Brookhaven National Laboratory was supported by the US Department of Energy (Chemical Sciences Division, DE-AC02-98CH10886). NR 53 TC 9 Z9 9 U1 11 U2 83 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 38 BP 15856 EP 15862 DI 10.1039/c3cp52295d PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 218DH UT WOS:000324412300021 PM 23942870 ER PT J AU Goldey, M Dutoi, A Head-Gordon, M AF Goldey, Matthew Dutoi, Anthony Head-Gordon, Martin TI Attenuated second-order Moller-Plesset perturbation theory: performance within the aug-cc-pVTZ basis SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID INTERMOLECULAR INTERACTION ENERGIES; MOLECULAR ELECTRONIC-STRUCTURE; SULFATE-WATER CLUSTERS; BASIS-SET; NONCOVALENT INTERACTIONS; DENSITY FUNCTIONALS; BENCHMARK DATABASE; SPIN; DISPERSION; ERRORS AB Attenuated second-order Moller-Plesset perturbation theory (MP2) within the finite aug-cc-pVTZ (aTZ) basis set is developed for inter- and intra-molecular non-bonded interactions. A single attenuation parameter is optimized on the S66 database of 66 intermolecular interactions, leading to a very large RMS error reduction by a factor of greater than 5 relative to standard MP2/aTZ. Attenuation introduces an error of opposite sign to basis set superposition error (BSSE) and overestimation of dispersion interactions in finite basis MP2. A variety of tests including the S22 set, conformer energies of peptides, alkanes, sugars, sulfate-water clusters, and the coronene dimer establish the transferability of the MP2(terfc, aTZ) model to other inter and intra-molecular interactions. Direct comparisons against attenuation in the smaller aug-cc-pVDZ basis shows that MP2(terfc, aTZ) often significantly outperforms MP2(terfc, aDZ), although at higher computational cost. MP2(terfc, aDZ) and MP2(terfc, aTZ) often outperform MP2 at the complete basis set limit. Comparison of the two attenuated MP2 models against each other and against attenuation using non-augmented basis sets gives insight into the error cancellation responsible for their remarkable success. C1 [Goldey, Matthew; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Goldey, Matthew; Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Dutoi, Anthony] Univ Pacific, Dept Chem, Stockton, CA 95211 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu FU U.S. Department of Energy [DE-AC02-05CH11231]; NSF [CHE-1048789]; Q-Chem Inc through NIH SBIR [GM096678] FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We acknowledge computational resources obtained under NSF award CHE-1048789. We also acknowledge partial support of this work from Q-Chem Inc through NIH SBIR grant no. GM096678. MHG is a part-owner of Q-Chem Inc. NR 50 TC 22 Z9 22 U1 0 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 38 BP 15869 EP 15875 DI 10.1039/c3cp51826d PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 218DH UT WOS:000324412300023 PM 23942866 ER PT J AU Pomogaev, V Tiwari, SP Rai, N Goff, GS Runde, W Schneider, WF Maginn, EJ AF Pomogaev, Vladimir Tiwari, Surya Prakash Rai, Neeraj Goff, George S. Runde, Wolfgang Schneider, William F. Maginn, Edward J. TI Development and application of effective pairwise potentials for UO2n+, NpO2n+, PuO2n+, and AmO2n+ (n=1, 2) ions with water SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; EFFECTIVE CORE POTENTIALS; SOLVATION FREE-ENERGIES; PARTICLE MESH EWALD; AQUEOUS-SOLUTION; ACTINYL IONS; GAS-PHASE; BASIS-SETS; THERMODYNAMIC FUNCTIONS; HYDROLYSIS PRODUCTS AB Intra-and intermolecular force field parameters for the interaction of actinyl ions (AnO(2)(n+), where, An = U, Np, Pu, Am and n = 1, 2) with water have been developed using quantum mechanical calculations. Water was modeled with the extended simple point charge potential (SPC/E). The resulting force field consists of a simple form in which intermolecular interactions are modeled with pairwise Lennard-Jones functions plus partial charge terms. Intramolecular bond stretching and angle bending are treated with harmonic functions. The new potentials were used to carry out extensive molecular dynamics simulations for each hydrated ion. Computed bond lengths, bond angles and coordination numbers agree well with known values and previous simulations. Hydration free energies, computed from molecular dynamics simulations as well as from quantum simulations with a solvation model, were in reasonable agreement with estimated experimental values. C1 [Pomogaev, Vladimir; Tiwari, Surya Prakash; Rai, Neeraj; Schneider, William F.; Maginn, Edward J.] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA. [Goff, George S.; Runde, Wolfgang] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Schneider, William F.] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA. RP Schneider, WF (reprint author), Univ Notre Dame, Dept Chem & Biomol Engn, 182 Fitzpatrick Hall, Notre Dame, IN 46556 USA. EM wschneider@nd.edu; ed@nd.edu RI Maginn, Edward/F-7584-2014 FU Los Alamos Laboratory Directed Research and Development Program; Materials Science of Actinides, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001089]; Office of Science, U.S. Department of Energy [DE-AC02-05CH11231] FX Work of VP and WFS was supported by the Los Alamos Laboratory Directed Research and Development Program. SPT and NR were supported by Materials Science of Actinides, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under award number DE-SC0001089. EJM was supported jointly by both funding agencies. Computational resources were provided by University of Notre Dame Center for Research Computing and the National Energy Research Scientific Computing Center (NERSC). Computational resources on NERSC was supported by the Office of Science, U.S. Department of Energy under contract number DE-AC02-05CH11231. NR 88 TC 18 Z9 18 U1 8 U2 52 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 38 BP 15954 EP 15963 DI 10.1039/c3cp52444b PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 218DH UT WOS:000324412300034 PM 23958801 ER PT J AU Singh, R Rajput, NN He, XX Monk, J Hung, FR AF Singh, Ramesh Rajput, Nav Nidhi He, Xiaoxia Monk, Joshua Hung, Francisco R. TI Molecular dynamics simulations of the ionic liquid [EMIM+][TFMSI-] confined inside rutile (110) slit nanopores SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID SENSITIZED SOLAR-CELLS; DOUBLE-LAYER CAPACITORS; ELECTRICAL DOUBLE-LAYERS; PORE-SIZE; PHOTOVOLTAIC PERFORMANCE; CARBON SUPERCAPACITORS; COMPUTER-SIMULATION; PHASE-TRANSITION; HIGHLY EFFICIENT; GRAPHITE WALLS AB The structure and dynamics of the ionic liquid (IL) [EMIM+][TFMSI-] inside a rutile (110) slit nanopore of width H = 5.2 nm at T = 333 K are studied using classical molecular dynamics (MD) simulations. These results are compared against those obtained in our previous study (N. N. Rajput et al., J. Phys. Chem. C, 2012, 116, 5169-5181) for the same IL inside a slit graphitic nanopore of the same width. Electrostatic and dispersion interactions are present between the IL and the rutile walls, whereas only weaker van der Waals interactions are present between the IL and the graphitic walls. Our results suggest that the strength of the interactions between the pore walls and the IL can significantly affect the structure and dynamics of the confined IL. Layering effects were more pronounced for the IL inside a rutile pore as compared to inside a graphitic pore. The ions near the rutile pore walls had a liquid structure that was significantly different from that of the bulk IL; in contrast, the same ions near graphitic pore walls had a liquid structure that was similar to that of the bulk IL. Cations and anions adopted multiple orientations near the rutile walls, which contrast with the parallel orientations that were uniformly observed for the same ions near graphitic walls. The dynamics of [EMIM+][TFMSI-] inside a slit rutile pore are significantly slower than those observed inside a slit graphitic pore. Near the rutile walls, the dynamics of the ions were about an order of magnitude slower than those of ions near graphitic walls. The ions in the center of a rutile pore exhibit enhanced mobilities, but still about 2-4 times slower than those observed for ions in the center of a graphitic pore. The effects of variations in the amount of IL on the dynamics were very marked inside a rutile pore, with reductions of up to 4 times in the mobilities of the ions in the different regions of the pore; in contrast, pore loading seems to cause smaller variations in the dynamics of ILs inside a graphitic slit nanopore. C1 [Singh, Ramesh; Rajput, Nav Nidhi; He, Xiaoxia; Monk, Joshua; Hung, Francisco R.] Louisiana State Univ, Cain Dept Chem Engn, Baton Rouge, LA 70803 USA. [Singh, Ramesh] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA. [Rajput, Nav Nidhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Electrochem Technol Grp, Berkeley, CA 94720 USA. [Monk, Joshua] NASA, Ames Res Ctr, Thermal Protect Mat Branch, Moffett Field, CA 94035 USA. RP Hung, FR (reprint author), Louisiana State Univ, Cain Dept Chem Engn, Baton Rouge, LA 70803 USA. EM frhung@lsu.edu OI Singh, Rajesh/0000-0001-8884-8775 FU National Science Foundation (CAREER Award) [CBET-1253075]; National Science Foundation (EPS-CoR) [EPS-1003897]; Louisiana Board of Regents FX We are grateful to Jermain Franklin (LA-SiGMA REU student), who helped corroborate some of the calculations presented in this study. This work was partially supported by the National Science Foundation (CAREER Award CBET-1253075 and EPS-CoR Cooperative Agreement EPS-1003897) and by the Louisiana Board of Regents. High-performance computational resources for this research were provided by High Performance Computing at Louisiana State University (http://www.hpc.lsu.edu) and the Louisiana Optical Network Initiative (http://www.loni.org). NR 82 TC 14 Z9 14 U1 7 U2 57 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 38 BP 16090 EP 16103 DI 10.1039/c3cp51266e PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 218DH UT WOS:000324412300049 PM 23985933 ER PT J AU Miao, M Nardelli, MB Wang, Q Liu, YC AF Miao, Meng Nardelli, Marco Buongiorno Wang, Qi Liu, Yingchun TI First principles study of the permeability of graphene to hydrogen atoms SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID POROUS GRAPHENE; SEPARATION; MEMBRANES; GRAPHITE AB Using calculations from first principles and harmonic transition state theory, we investigated the permeability of a single graphene sheet to protons and hydrogen atoms. Our results show that while protons can readily pass through a graphene sheet with a low tunneling barrier, for hydrogen atoms the barriers are substantially higher. At the same time, the presence of defects in the membrane can significantly reduce the penetration barrier in a region that extends beyond the defect site itself. C1 [Miao, Meng; Wang, Qi; Liu, Yingchun] Zhejiang Univ, Soft Matter Res Ctr, Hangzhou 310027, Zhejiang, Peoples R China. [Miao, Meng; Wang, Qi; Liu, Yingchun] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China. [Nardelli, Marco Buongiorno] Univ N Texas, Dept Phys, Denton, TX 76203 USA. [Nardelli, Marco Buongiorno] Univ N Texas, Dept Chem, Denton, TX 76203 USA. [Nardelli, Marco Buongiorno] Oak Ridge Natl Lab, CSMD, Oak Ridge, TN USA. RP Liu, YC (reprint author), Zhejiang Univ, Soft Matter Res Ctr, Hangzhou 310027, Zhejiang, Peoples R China. EM liuyingch@zju.edu.cn FU National Natural Science Foundation of China [20876132, 20976150] FX This work was financially supported by the National Natural Science Foundation of China (Nos. 20876132, 20976150). NR 22 TC 18 Z9 18 U1 2 U2 63 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 38 BP 16132 EP 16137 DI 10.1039/c3cp52318g PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 218DH UT WOS:000324412300054 PM 23986179 ER PT J AU Youker, AJ Chemerisov, SD Kalensky, M Tkac, P Bowers, DL Vandegrift, GF AF Youker, Amanda J. Chemerisov, Sergey D. Kalensky, Michael Tkac, Peter Bowers, Delbert L. Vandegrift, George F. TI A Solution-Based Approach for Mo-99 Production: Considerations for Nitrate versus Sulfate Media SO SCIENCE AND TECHNOLOGY OF NUCLEAR INSTALLATIONS LA English DT Article ID URANIUM AB Molybdenum-99 is the parent of Technetium-99m, which is used in nearly 80% of all nuclear medicine procedures. The medical community has been plagued by Mo-99 shortages due to aging reactors, such as the NRU (National Research Universal) reactor in Canada. There are currently no US producers of Mo-99, and NRU is scheduled for shutdown in 2016, which means that another Mo-99 shortage is imminent unless a potential domestic Mo-99 producer fills the void. Argonne National Laboratory is assisting two potential domestic suppliers of Mo-99 by examining the effects of a uranyl nitrate versus a uranyl sulfate target solution configuration on Mo-99 production. Uranyl nitrate solutions are easier to prepare and do not generate detectable amounts of peroxide upon irradiation, but a high radiation field can lead to a large increase in pH, which can lead to the precipitation of fission products and uranyl hydroxides. Uranyl sulfate solutions are more difficult to prepare, and enough peroxide is generated during irradiation to cause precipitation of uranyl peroxide, but this can be prevented by adding a catalyst to the solution. A titania sorbent can be used to recover Mo-99 from a highly concentrated uranyl nitrate or uranyl sulfate solution; however, different approaches must be taken to prevent precipitation during Mo-99 production. C1 [Youker, Amanda J.; Chemerisov, Sergey D.; Kalensky, Michael; Tkac, Peter; Bowers, Delbert L.; Vandegrift, George F.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Youker, AJ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM youker@anl.gov FU US Department of Energy, National Nuclear Security Administration's (NNSA's) Office of Defense Nuclear Nonproliferation [DE-AC02-06CH11357] FX This work is supported by the US Department of Energy, National Nuclear Security Administration's (NNSA's) Office of Defense Nuclear Nonproliferation, under Contract DE-AC02-06CH11357. NR 37 TC 0 Z9 0 U1 2 U2 12 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-6075 J9 SCI TECHNOL NUCL INS JI Sci. Technol. Nucl. Install. PY 2013 AR 402570 DI 10.1155/2013/402570 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 222CT UT WOS:000324708200001 ER PT J AU Fan, Y Yildiz, B Yip, S AF Fan, Yue Yildiz, Bilge Yip, Sidney TI Analogy between glass rheology and crystal plasticity: yielding at high strain rate SO SOFT MATTER LA English DT Editorial Material ID DEFORMATION; MESOSCALE AB An abrupt increase of the yield stress at sufficiently high strain rate, seen in glassy as well as crystalline structures, signifies a transition from classical thermal fluctuation to stress activated processes. For crystals this behavior has been recently explained using transition-state-theory with a stress-dependent activation barrier for dislocation glide. An equivalent approach, developed independently for amorphous solids, suggests the physical basis of the upturn behavior of the yield stress is more general. Insights into the interplay between thermal and stress activation processes can contribute to the current efforts toward identifying materials science frontiers at the mesoscale. C1 [Fan, Yue; Yildiz, Bilge; Yip, Sidney] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Fan, Yue] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Yip, Sidney] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. RP Yip, S (reprint author), MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM syip@mit.edu RI FAN, YUE/H-1737-2011 NR 27 TC 2 Z9 2 U1 1 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 40 BP 9511 EP 9514 DI 10.1039/c3sm50337b PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 224XP UT WOS:000324926000001 PM 26029756 ER PT J AU Perticaroli, S Nickels, JD Ehlers, G O'Neill, H Zhang, Q Sokolov, AP AF Perticaroli, Stefania Nickels, Jonathan D. Ehlers, Georg O'Neill, Hugh Zhang, Qui Sokolov, Alexei P. TI Secondary structure and rigidity in model proteins SO SOFT MATTER LA English DT Article ID LONGITUDINAL ACOUSTICAL VIBRATIONS; INELASTIC NEUTRON-SCATTERING; GREEN FLUORESCENT PROTEIN; LOW-FREQUENCY VIBRATIONS; BETA-SHEET; BACKBONE CONTRIBUTIONS; HELICAL STRUCTURES; RAMAN-SCATTERING; LIGHT-SCATTERING; SINGLE-CRYSTALS AB There is tremendous interest in understanding the role that secondary structure plays in the rigidity and dynamics of proteins. In this work we analyze nanomechanical properties of proteins chosen to represent different secondary structures: alpha-helices (myoglobin and bovine serum albumin), beta-barrels (green fluorescent protein), and alpha + beta + loop structures (lysozyme). Our experimental results show that in these model proteins, the beta motif is a stiffer structural unit than the alpha-helix in both dry and hydrated states. This difference appears not only in the rigidity of the protein, but also in the amplitude of fast picosecond fluctuations. Moreover, we show that for these examples the secondary structure correlates with the temperature- and hydration-induced changes in the protein dynamics and rigidity. Analysis also suggests a connection between the length of the secondary structure (alpha-helices) and the low-frequency vibrational mode, the so-called boson peak. The presented results suggest an intimate connection of dynamics and rigidity with the protein secondary structure. C1 [Perticaroli, Stefania; Nickels, Jonathan D.; Sokolov, Alexei P.] Oak Ridge Natl Lab, Chem & Mat Sci Div, Oak Ridge, TN 37831 USA. [Perticaroli, Stefania; Sokolov, Alexei P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Nickels, Jonathan D.; Sokolov, Alexei P.] Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA. [Ehlers, Georg] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [O'Neill, Hugh; Zhang, Qui] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. [O'Neill, Hugh; Zhang, Qui] Univ Tennessee, Biol & Soft Matter Div, Knoxville, TN 37996 USA. RP Sokolov, AP (reprint author), Oak Ridge Natl Lab, Chem & Mat Sci Div, Oak Ridge, TN 37831 USA. EM spertica@utk.edu; jnickel1@utk.edu; ehlersg@ornl.gov; oneilhm@ornl.gov; zhangq@ornl.gov; sokolov@utk.edu RI Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Nickels, Jonathan/I-1913-2012; OI Ehlers, Georg/0000-0003-3513-508X; Nickels, Jonathan/0000-0001-8351-7846; O'Neill, Hugh/0000-0003-2966-5527 FU DOE through the EPSCoR program [DE-FG02-08ER46528]; Scientific User Facilities Division, Basic Energy Sciences, U. S. DOE; Center for Structural Molecular Biology [ERKP291]; Office of Biological and Environmental Research U. S. Department of Energy; U.S. Department of Energy [DEAC05-00OR22725] FX This work was supported by DOE through the EPSCoR program (grant DE-FG02-08ER46528) and by the Scientific User Facilities Division, Basic Energy Sciences, U. S. DOE. HO'N and QZ acknowledge the support of the Center for Structural Molecular Biology (Project ERKP291) funded by the Office of Biological and Environmental Research U. S. Department of Energy. Oak Ridge National Laboratory facilities are managed by UT-Battelle, LLC for the U.S. Department of Energy under contract no. DEAC05-00OR22725. NR 57 TC 26 Z9 26 U1 3 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 40 BP 9548 EP 9556 DI 10.1039/c3sm50807b PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 224XP UT WOS:000324926000006 PM 26029761 ER PT J AU Ting, CL Frischknecht, AL AF Ting, Christina L. Frischknecht, Amalie L. TI Activated pathways for the directed insertion of patterned nanoparticles into polymer membranes SO SOFT MATTER LA English DT Article ID ABC TRIBLOCK COPOLYMERS; GOLD NANOPARTICLES; DIBLOCK COPOLYMERS; LIPID-MEMBRANE; SURFACE-CHEMISTRY; VESICLE FORMATION; CELL-MEMBRANES; GENE DELIVERY; DYNAMICS; FUSION AB We combine the string method with self-consistent field theory to compute the most probable transition pathway, i.e. the minimum free energy path, for the insertion of Janus and protein-like nanoparticles into a polymer membrane bilayer. The method makes no assumptions in the reaction coordinate and overcomes the long timescales challenge associated with simulating rare events. Our study suggests that one approach to building functional polymer-nanoparticle composite membranes with oriented nanoparticles is through electrostatic interactions. In particular, hydrophobic Janus nanoparticles with an asymmetric charge distribution can be made to directionally insert into charged membranes. This process is kinetically driven, and involves overcoming a thermally surmountable activation barrier, which requires favorable interactions between the nanoparticle and the hydrophilic block of the membrane. In contrast, the insertion of protein-like nanoparticles with alternating hydrophilic-hydrophobic-hydrophilic domains into polymer membranes does not occur as a thermally activated event. C1 [Ting, Christina L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Frischknecht, Amalie L.] Sandia Natl Labs, Ctr Integrated Technol, Albuquerque, NM 87185 USA. RP Ting, CL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM clting@sandia.gov; alfrisc@sandia.gov RI Frischknecht, Amalie/N-1020-2014 OI Frischknecht, Amalie/0000-0003-2112-2587 FU Sandia Laboratory Directed Research and Development (LDRD) program; U.S. Department of Energys National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Walter Paxton and Mark Stevens for helpful discussions. This work was supported by the Sandia Laboratory Directed Research and Development (LDRD) program. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. 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 Energys National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 59 TC 3 Z9 3 U1 1 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 40 BP 9615 EP 9623 DI 10.1039/c3sm51734a PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 224XP UT WOS:000324926000014 PM 26029770 ER PT J AU Fukuto, M Nguyen, QL Vasilyev, O Mank, N Washington-Hughes, CL Kuzmenko, I Checco, A Mao, YM Wang, Q Yang, L AF Fukuto, Masafumi Nguyen, Quyen L. Vasilyev, Oleg Mank, Nick Washington-Hughes, Clorissa L. Kuzmenko, Ivan Checco, Antonio Mao, Yimin Wang, Qian Yang, Lin TI Crystallization, structural diversity and anisotropy effects in 2D arrays of icosahedral viruses SO SOFT MATTER LA English DT Article ID YELLOW MOSAIC-VIRUS; BUILDING-BLOCKS; COMPLEX STRUCTURES; PROTEIN SUBUNITS; NUCLEIC-ACID; PARTICLES; SYMMETRY; CRYSTAL; ELECTROSTATICS; NANOPARTICLES AB We investigate two-dimensional (2D) assembly of the icosahedral turnip yellow mosaic virus (TYMV) under cationic lipid monolayers at the aqueous solution-vapor interface. The 2D crystallization of TYMV has been achieved by enhancing electrostatically induced interfacial adsorption, an approach recently demonstrated for another virus. In situ X-ray scattering reveals two close-packed 2D crystalline phases of TYMV that are distinct from the previously reported hexagonal and centered square (root 2 x root 2) arrays of TYMV. One of the newly observed phases arises from either a dimeric double-square (2 x 1) or tetrameric square (2 x 2) unit cell. The other is a rhombic crystal with a lattice angle of 80 degrees. The two observed crystal phases are substantially less dense (by over10%) than a 2D lattice of TYMV could be according to its known size and shape, indicating that local anisotropic interparticle interactions play a key role in stabilizing these crystals. TYMV's anisotropy attributes and numerical analysis of 2D arrays of virus-shaped particles are used to derive a model for the rhombic crystal in which the particle orientation is consistent with the electrostatic lipid-TYMV attraction and the interparticle contacts exhibit steric complementarity. The interplay between particle anisotropy and packing is contrasted between the rhombic crystal model and the square(root 2 x root 2) crystal. This study highlights how the high symmetry and subtle asphericity of icosahedral particles enrich the variety and complexity of ordered 2D structures that can be generated through self-assembly. C1 [Fukuto, Masafumi; Checco, Antonio] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Nguyen, Quyen L.; Mank, Nick; Washington-Hughes, Clorissa L.; Wang, Qian] Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. [Nguyen, Quyen L.; Mank, Nick; Washington-Hughes, Clorissa L.; Wang, Qian] Univ S Carolina, Nanoctr, Columbia, SC 29208 USA. [Vasilyev, Oleg] Max Planck Inst Intelligente Syst, D-70569 Stuttgart, Germany. [Vasilyev, Oleg] Univ Stuttgart, Inst Theoret Phys 4, D-70569 Stuttgart, Germany. [Kuzmenko, Ivan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Mao, Yimin; Yang, Lin] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Fukuto, M (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM fukuto@bnl.gov OI Wang, Qian/0000-0002-2149-384X FU US Department of Energy, Basic Energy Sciences, by the Materials Sciences and Engineering Division through the National Synchrotron Light Source [DE-AC02-98CH10886]; BNL LDRD program; US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886, DE-AC02-06CH11357]; National Science Foundation [CHE-0748690]; Department of Defense [WN11NF-09-1-236]; Department of Energy, Office of Basic Energy Sciences [DE-SC0001477]; W. M. Keck Foundation; ERC [PIRSES-GA-2010-269181] FX The BNL contribution to this work was supported by the US Department of Energy, Basic Energy Sciences, by the Materials Sciences and Engineering Division (M. F. and A. C.), which is supported under contract no. DE-AC02-98CH10886, through the National Synchrotron Light Source (L. Y.), which is supported under contract no. DE-AC02-98CH10886, and by the BNL LDRD program (Y. M.). Use of the National Synchrotron Light Source was supported by the US Department of Energy, Office of Basic Energy Sciences, under contract no. DE-AC02-98CH10886. The work by I. K. and use of the Advanced Photon Source were supported by the US Department of Energy, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. Q. W. acknowledges the financial support from National Science Foundation under contract no. CHE-0748690, Department of Defense under contract no. WN11NF-09-1-236, Department of Energy, Office of Basic Energy Sciences, under contract no. DE-SC0001477, and the W. M. Keck Foundation. O. V. acknowledges ERC funding via PIRSES-GA-2010-269181. NR 51 TC 6 Z9 6 U1 2 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 40 BP 9633 EP 9642 DI 10.1039/c3sm51853a PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 224XP UT WOS:000324926000016 PM 26029772 ER PT J AU Shen, YR Waychunas, GA AF Shen, Y. Ron Waychunas, Glenn A. BE Wieckowski, A Korzeniewski, C Braunschweig, B TI SFG Studies of Oxide-Water Interfaces: Protonation States, Water Polar Orientations, and Comparison with Structure Results from X-Ray Scattering SO VIBRATIONAL SPECTROSCOPY AT ELECTRIFIED INTERFACES SE Wiley Series on Electrocatalysis and Electrochemistry LA English DT Article; Book Chapter ID FREQUENCY VIBRATIONAL SPECTROSCOPY; ATOMIC-FORCE MICROSCOPY; MOLECULAR-DYNAMICS; ALPHA-QUARTZ; ALPHA-AL2O3 0001; 110 SURFACE; TIO2 FILM; DIFFRACTION; GENERATION; REFLECTIVITY C1 [Shen, Y. Ron] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Waychunas, Glenn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Geochem, Berkeley, CA 94720 USA. RP Shen, YR (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. NR 75 TC 1 Z9 1 U1 0 U2 9 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-1-118-15717-6 J9 WILEY SER ELECTROCAT PY 2013 BP 48 EP 84 D2 10.1002/9781118658871 PG 37 WC Electrochemistry; Spectroscopy SC Electrochemistry; Spectroscopy GA BGX29 UT WOS:000324485100005 ER PT S AU Omer, M Negm, H Zen, H Hori, T Kii, T Masuda, K Ohgaki, H Hajima, R Hayakawa, T Daito Shizuma, T Fujiwara, M Park, SH Kikuzawa, N Rusev, G Tonchev, AP Wu, YK AF Omer, Mohamed Negm, H. Zen, H. Hori, T. Kii, T. Masuda, K. Ohgaki, H. Hajima, R. Hayakawa, T. Daito Shizuma, T. Fujiwara, M. Park, S. H. Kikuzawa, N. Rusev, G. Tonchev, A. P. Wu, Y. K. BE Yupapin, P PivsaArt, S Ohgaki, H TI Active Interrogation of Nuclear Materials Using LaBr3: Ce Detectors SO 10TH ECO-ENERGY AND MATERIALS SCIENCE AND ENGINEERING SYMPOSIUM SE Energy Procedia LA English DT Proceedings Paper CT 10th Eco-Energy and Materials Science and Engineering Symposium (EMSES) CY DEC 05-08, 2012 CL Ubon Ratchathani, THAILAND DE Nuclear resonance fluorescence; LaBr3:Ce detectors; U-235; Nondestructive assay AB Active interrogation in U-235 was demonstrated with LaBr3:Ce scintillation detectors using the nuclear resonance fluorescence (NRF) technique. An NRF experiment was performed at the High using Intensity gamma-ray Source (HI gamma S) facility using quasi-monochromatic circularly or linearly polarized gamma-ray beams. Photons scattered at 90 degrees relative to the incident beam were detected with two different sizes of cylindrical LaBr3:Ce detectors. Clear NRF peaks at 1733 and 1815 keV corresponding to de-excitations to the ground state and/or low-lying levels in U-235 were observed within 77 minutes of beam time even under the high background due to the self-activity of LaBr3:Ce and the radioactive decay of Bi-214 nuclei existing in the U-235 target. The present study shows a possibility of using LaBr3:Ce detector to perform NRF experiments, promoting many options for inspection of special nuclear materials. (C) 2013 The Authors. Published by Elsevier B.V. C1 [Omer, Mohamed; Negm, H.; Zen, H.; Hori, T.; Kii, T.; Masuda, K.; Ohgaki, H.; Hajima, R.] Kyoto Univ, Inst Adv Energy, Kyoto 6110011, Japan. [Hayakawa, T.; Shizuma, T.; Kikuzawa, N.] Japan Atom Energy Agcy, Quantum Beam Sci Directorate, Ibaraki 3191195, Japan. [Daito] Japan Atom Energy Agcy, Kyoto 6190215, Japan. [Fujiwara, M.] Osaka Univ, Res Ctr Nucl Phys, Osaka 5670047, Japan. [Park, S. H.] Korea Atom Energy Res Ctr Inst, Daejeon 989111, South Korea. [Rusev, G.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Tonchev, A. P.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. [Tonchev, A. P.; Wu, Y. K.] Triangle Univ Nucl Lab, Durham, NC 27710 USA. [Tonchev, A. P.; Wu, Y. K.] Duke Univ, Dept Phys, Durham, NC 27710 USA. [Omer, Mohamed; Negm, H.] Assiut Univ, Dept Phys, Assiut 71516, Egypt. RP Ohgaki, H (reprint author), Kyoto Univ, Inst Adv Energy, Kyoto 6110011, Japan. EM ohgaki@iae.kyoto-u.ac.jp NR 8 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2013 VL 34 BP 50 EP 56 DI 10.1016/j.egypro.2013.06.732 PG 7 WC Energy & Fuels; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA BGP84 UT WOS:000323740600006 ER PT S AU Maris, P Aktulga, HM Binder, S Calci, A Catalyurek, UV Langhammer, J Ng, E Saule, E Roth, R Vary, JP Yang, C AF Maris, Pieter Aktulga, H. Metin Binder, Sven Calci, Angelo Catalyuerek, Umit V. Langhammer, Joachim Ng, Esmond Saule, Erik Roth, Robert Vary, James P. Yang, Chao GP IOP TI No Core CI calculations for light nuclei with chiral 2-and 3-body forces SO 24TH IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (IUPAP-CCP 2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 24th IUPAP Conference on Computational Physics (IUPAP-CCP) CY OCT 14-18, 2012 CL Kobe, JAPAN SP Int Union Pure & Appl Phys (IUPAP), Int Union Pure & Appl Phys (IUPAP), Commiss 20, Osaka Univ, Kyoto Univ, Kobe Univ, Univ Hyogo, Japan Phys Soc (JPS), Japan Soc Appl Phys (JSAP), Japan Soc Promot Sci, Japan World Exposit 1970 Commemorat Fund (JEC Fund), Kobe Convent & Visitor Assoc, Nakauchi Tsutomu Convent Promot Fdn, Fujitsu Ltd, NEC ID SHELL-MODEL; HAMILTONIANS AB The atomic nucleus is a self-bound system of strongly interacting nucleons. In No-Core Configuration Interaction calculations, the nuclear wavefunction is expanded in Slater determinants of single-nucleon wavefunctions (Configurations), and the many-body Schrodinger equation becomes a large sparse matrix problem. The challenge is to reach numerical convergence to within quantified numerical uncertainties for physical observables using finite truncations of the infinite-dimensional basis space. We discuss strategies for constructing and solving the resulting large sparse matrices for a set of low-lying eigenvalues and eigenvectors on current multicore computer architectures. Several of these strategies have been implemented in the code MFDn, a hybrid MPI/OpenMP Fortran code for ab initio nuclear structure calculations that scales well to over 200,000 cores. We discuss how the similarity renormalization group can be used to improve the numerical convergence. We present results for excitation energies and other selected observables for Be-8 and C-12 using realistic 2- and 3-body forces obtained from chiral perturbation theory. Finally, we demonstrate that collective phenomena such as rotational band structures can emerge from these microscopic calculations. C1 [Maris, Pieter; Vary, James P.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Aktulga, H. Metin; Ng, Esmond; Yang, Chao] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Binder, Sven; Calci, Angelo; Langhammer, Joachim; Roth, Robert] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Catalyuerek, Umit V.; Saule, Erik] Ohio State Univ, Dept Biomed Informat, Columbus, OH 43210 USA. [Catalyuerek, Umit V.] Ohio State Univ, Dept Elect & Comp Engn, Columbus, OH 43210 USA. RP Maris, P (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM pmaris@iastate.edu FU U.S. Department of Energy [DE-FC02-09ER41582, DESC0008485, DE-FG02-87ER40371, DE-FC02- 06ER2775, DE-AC02-05CH11231]; U.S. NSF [904782, CNS-0643969, OCI-0904809, OCI-0904802]; GAUSTEQ (Germany and U.S. Nuclear Theory Exchange Program for QCD Studies of Hadrons and Nuclei) [DE-SC0006758]; DFG through SFB [634]; HIC for FAIR; DOE Office of Science [DE-AC05-00OR22725]; INCITE award, "Nuclear Structure and Nuclear Reactions", from the DOE Office of Advanced Scientific Computing FX This work was supported in part by U.S. Department of Energy Grants DE-FC02-09ER41582 (SciDAC-2/UNEDF), DESC0008485 (SciDAC-3/NUCLEI), DE-FG02-87ER40371, DE-FC02- 06ER2775, by the U.S. NSF Grants 0904782, CNS-0643969, OCI-0904809, OCI-0904802, by U.S. Department of Energy Contract DE-AC02-05CH11231, by GAUSTEQ (Germany and U.S. Nuclear Theory Exchange Program for QCD Studies of Hadrons and Nuclei) under contract number DE-SC0006758, and by the DFG through SFB 634 and by HIC for FAIR. Computational resources were provided by the National Energy Research Scientific Computing Center (NERSC), which is supported by the DOE Office of Science, and by an INCITE award, Nuclear Structure and Nuclear Reactions, from the DOE Office of Advanced Scientific Computing. This research also used resources of the Oak Ridge Leadership Computing Facility at ORNL, which is supported by the DOE Office of Science under Contract DE-AC05-00OR22725. NR 32 TC 8 Z9 8 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 454 AR UNSP 012063 DI 10.1088/1742-6596/454/1/012063 PG 15 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BGS35 UT WOS:000323968300064 ER PT S AU More, R Wang, FL AF More, Richard Wang, Feilu GP IOP TI Molecular dynamics with atomic transitions and nuclear reactions SO 24TH IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (IUPAP-CCP 2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 24th IUPAP Conference on Computational Physics (IUPAP-CCP) CY OCT 14-18, 2012 CL Kobe, JAPAN SP Int Union Pure & Appl Phys (IUPAP), Int Union Pure & Appl Phys (IUPAP), Commiss 20, Osaka Univ, Kyoto Univ, Kobe Univ, Univ Hyogo, Japan Phys Soc (JPS), Japan Soc Appl Phys (JSAP), Japan Soc Promot Sci, Japan World Exposit 1970 Commemorat Fund (JEC Fund), Kobe Convent & Visitor Assoc, Nakauchi Tsutomu Convent Promot Fdn, Fujitsu Ltd, NEC ID PLASMA AB We describe molecular dynamics particle simulations with particles that have internal structure and/or undergo reactions. These calculations give an atomic-scale description of hot plasma based on well-established microphysics and test kinetic theories used to calculate energy exchange and transport in plasma hydrodynamic simulations. The computer experiments can be given detailed diagnostics, without the usual limits of resolution of Laboratory equipment. Typical applications are non-equilibrium atomic kinetics for emission or absorption of X-ray laser radiation by solid targets and/or atomic-scale simulation of hot plasma with fusion reactions, as in inertial fusion ignition experiments. C1 [More, Richard] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wang, Feilu] Chinese Acad Sci, Natl Astronomical Observ, Beijing 100864, Peoples R China. RP More, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rmore2262@sbcglobal.net RI Wang, Feilu/A-9978-2013 FU National Science Council, Taiwan [NSC 101-2112-M-009-007] FX TMW acknowledge supports from National Science Council, Taiwan under Grant No. NSC 101-2112-M-009-007. NR 29 TC 1 Z9 1 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 454 AR UNSP 012027 DI 10.1088/1742-6596/454/1/012027 PG 15 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BGS35 UT WOS:000323968300028 ER PT S AU Pattanasiri, B Li, YW Landau, DP Wust, T Triampo, W AF Pattanasiri, Busara Li, Ying Wai Landau, David P. Wuest, Thomas Triampo, Wannapong GP IOP TI Thermodynamics and structural properties of a confined HP protein determined by Wang-Landau simulation SO 24TH IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (IUPAP-CCP 2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 24th IUPAP Conference on Computational Physics (IUPAP-CCP) CY OCT 14-18, 2012 CL Kobe, JAPAN SP Int Union Pure & Appl Phys (IUPAP), Int Union Pure & Appl Phys (IUPAP), Commiss 20, Osaka Univ, Kyoto Univ, Kobe Univ, Univ Hyogo, Japan Phys Soc (JPS), Japan Soc Appl Phys (JSAP), Japan Soc Promot Sci, Japan World Exposit 1970 Commemorat Fund (JEC Fund), Kobe Convent & Visitor Assoc, Nakauchi Tsutomu Convent Promot Fdn, Fujitsu Ltd, NEC ID MONTE-CARLO SIMULATIONS; DENSITY-OF-STATES; RANDOM-WALK; STABILITY; BINDING; CELL AB Understanding protein folding confined by surfaces is important for both biological sciences and the development of nanomaterials. In this work, we study the properties of a confined HP model protein by three different types of surfaces, namely, surfaces that attract: (a) all monomers; (b) only P monomers; and (c) only H monomers. The thermodynamic and structural quantities, such as the specific heat, number of surface contacts, and number of hydrophobic pairs, are obtained by using Wang-Landau sampling. The conformational "transitions", specifically the debridging process and hydrophobic core formation, can be identified based on an analysis of these quantities. We found that these transitions take place at different temperatures, and the ground state configurations show variations in structural properties when different surface type is used. These scenarios are confirmed by snapshots of typical states of the systems. From our study, we conclude that the thermodynamics of these transitions and the structural changes depend on the combined actions of both the composition of the H monomers and the P monomers in the HP chain and the surface types. C1 [Pattanasiri, Busara; Triampo, Wannapong] Mahidol Univ, R&D Grp Biol & Environm Phys, Dept Phys, Fac Sci, Bangkok 10400, Thailand. [Pattanasiri, Busara] Mahidol Univ, Fac Sci, Dept Chem, Bangkok 10400, Thailand. [Li, Ying Wai; Landau, David P.] Univ Georgia, Ctr Simulat Phys, Dept Phys & Astron, Athens, GA 30602 USA. [Wuest, Thomas] Swiss Fed Res Inst, WSL, CH-8903 Birmensdorf, Switzerland. [Triampo, Wannapong] ThEP Ctr CHE, Bangkok 10400, Thailand. [Triampo, Wannapong] Mahidol Univ, Inst Innovat Learning, Nakhon Pathom 73170, Thailand. [Li, Ying Wai] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. RP Pattanasiri, B (reprint author), Mahidol Univ, R&D Grp Biol & Environm Phys, Dept Phys, Fac Sci, Bangkok 10400, Thailand. EM bairng@physast.uga.edu; ywli@physast.uga.edu; dlandau@physast.uga.edu; thomas.wuest@wsl.ch; wtriampo@gmail.com RI Wuest, Thomas/I-6192-2012 OI Wuest, Thomas/0000-0001-6901-9277 FU National Science Foundation [DMR-0810223]; The Royal Thai Government Scholarship under the Development and Promotion of Science and Technology Talent Project (DPST); The Institute for the Promotion of Teaching Science and Technology (IPST); Office of Advanced Scientific Computing Research; U.S. Department of Energy; UT-Battelle, LLC [De-AC05-00OR22725] FX This work was supported by the National Science Foundation under Grants DMR-0810223. B. Pattanasiri is supported by The Royal Thai Government Scholarship under the Development and Promotion of Science and Technology Talent Project (DPST), and the grant from The Institute for the Promotion of Teaching Science and Technology (IPST). Y.W. Li was partly sponsored by the Office of Advanced Scientific Computing Research; U.S. Department of Energy. Part of the work was performed at the Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC under Contract No. De-AC05-00OR22725. NR 35 TC 2 Z9 2 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 454 AR UNSP 012071 DI 10.1088/1742-6596/454/1/012071 PG 9 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BGS35 UT WOS:000323968300072 ER PT S AU Velechovsky, J Kucharik, M Liska, R Shashkov, M AF Velechovsky, J. Kucharik, M. Liska, R. Shashkov, M. GP IOP TI Symmetry-preserving momentum remap for ALE hydrodynamics SO 24TH IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (IUPAP-CCP 2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 24th IUPAP Conference on Computational Physics (IUPAP-CCP) CY OCT 14-18, 2012 CL Kobe, JAPAN SP Int Union Pure & Appl Phys (IUPAP), Int Union Pure & Appl Phys (IUPAP), Commiss 20, Osaka Univ, Kyoto Univ, Kobe Univ, Univ Hyogo, Japan Phys Soc (JPS), Japan Soc Appl Phys (JSAP), Japan Soc Promot Sci, Japan World Exposit 1970 Commemorat Fund (JEC Fund), Kobe Convent & Visitor Assoc, Nakauchi Tsutomu Convent Promot Fdn, Fujitsu Ltd, NEC ID ALGORITHM AB In this paper,a symmetry-preserving remapping algorithm for vectors respecting their local bounds by components and in magnitude is presented. First,description of the Vector Image Polygon(VIP)limiter for a piece-wise linear velocity reconstruction is presented. Numerical fluxes obtained from this reconstruction lead to symmetry-and bounds-preserving remap of momentum for staggered Arbitrary Lagrangian-Eulerian (ALE)hydrodynamical methods. A novel bounds definition for vectors and corresponding modification of the VIP limiter is introduced,which fixes under shoots in a radial velocity component for polar meshes. Comparison with standard scalar-based limiters is given. Cyclic remapping is performed to numerically verify properties of the methods. C1 [Velechovsky, J.; Kucharik, M.; Liska, R.] Czech Tech Univ, Fac Nucl Sci & Phys Engn, Brehova 7, CR-11519 Prague 1, Czech Republic. [Shashkov, M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Velechovsky, J (reprint author), Czech Tech Univ, Fac Nucl Sci & Phys Engn, Brehova 7, CR-11519 Prague 1, Czech Republic. EM velecjan@fjfi.cvut.cz RI Liska, Richard/C-3142-2009 OI Liska, Richard/0000-0002-6149-0440 FU National Nuclear Security Administration US DOE at LANL [DE-AC52-06NA25396]; ASCR; ASC Programs; CTU [SGS10/299/OHK4/3T/14]; Czech Science Foundation projects [P205/10/0814]; Czech Ministry of Education project [RVO 68407700] FX This work was performed under the auspices of the National Nuclear Security Administration US DOE at LANL under Contract No. DE-AC52-06NA25396, and partially supported by ASCR and ASC Programs, the CTU grant SGS10/299/OHK4/3T/14, the Czech Science Foundation projects P205/10/0814 and by the Czech Ministry of Education project RVO 68407700. NR 16 TC 2 Z9 2 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 454 AR UNSP 012003 DI 10.1088/1742-6596/454/1/012003 PG 10 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BGS35 UT WOS:000323968300004 ER PT S AU Zheng, H AF Zheng, H. BE Hawkes, PW TI Real-Time Imaging of Growth and Transformation Dynamics of Nanocrystals SO ADVANCES IN IMAGING AND ELECTRON PHYSICS, VOL 179 SE Advances in Imaging and Electron Physics LA English DT Review; Book Chapter ID NANOROD C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zheng, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM hmzheng@lbl.gov NR 3 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 1076-5670 BN 978-0-12-407700-3 J9 ADV IMAG ELECT PHYS JI Adv. Imag. Electron Phys. PY 2013 VL 179 BP 161 EP 163 PG 3 WC Microscopy SC Microscopy GA BGK73 UT WOS:000323356800012 ER PT S AU Smeets, PJM Li, D Nielsen, MH Cho, KR Sommerdijk, NAJM De Yoreo, JJ AF Smeets, P. J. M. Li, D. Nielsen, M. H. Cho, K. R. Sommerdijk, N. A. J. M. De Yoreo, J. J. BE Hawkes, PW TI Unraveling the CaCO3 Mesocrystal Formation Mechanism Including a Polyelectrolyte Additive using in-situ TEM and in-situ AFM SO ADVANCES IN IMAGING AND ELECTRON PHYSICS, VOL 179 SE Advances in Imaging and Electron Physics LA English DT Review; Book Chapter C1 [Smeets, P. J. M.; Li, D.; Nielsen, M. H.; Cho, K. R.; De Yoreo, J. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Smeets, P. J. M.; Sommerdijk, N. A. J. M.] Eindhoven Univ Technol, Lab Mat & Interface Chem, Eindhoven, Netherlands. RP De Yoreo, JJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM jjdeyoreo@lbl.gov RI Sommerdijk, Nico/B-7239-2013 OI Sommerdijk, Nico/0000-0002-8956-195X NR 1 TC 0 Z9 0 U1 0 U2 35 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 1076-5670 BN 978-0-12-407700-3 J9 ADV IMAG ELECT PHYS JI Adv. Imag. Electron Phys. PY 2013 VL 179 BP 165 EP 167 PG 3 WC Microscopy SC Microscopy GA BGK73 UT WOS:000323356800014 ER PT S AU Unocic, RR Sun, XG Alsem, DH Salmon, NJ Dai, S Dudney, NJ More, KL AF Unocic, R. R. Sun, X-G Alsem, D. H. Salmon, N. J. Dai, S. Dudney, N. J. More, K. L. BE Hawkes, PW TI Application of In-situ Electrochemical Liquid Cells for Electrical Energy Storage Research SO ADVANCES IN IMAGING AND ELECTRON PHYSICS, VOL 179 SE Advances in Imaging and Electron Physics LA English DT Review; Book Chapter ID MICROSCOPY C1 [Unocic, R. R.; Dudney, N. J.; More, K. L.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Sun, X-G; Dai, S.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Alsem, D. H.; Salmon, N. J.] Hummingbird Sci, Lacey, WA 98516 USA. RP Unocic, RR (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM unocicrr@ornl.gov RI More, Karren/A-8097-2016; Dudney, Nancy/I-6361-2016; Dai, Sheng/K-8411-2015 OI More, Karren/0000-0001-5223-9097; Dudney, Nancy/0000-0001-7729-6178; Dai, Sheng/0000-0002-8046-3931 NR 3 TC 0 Z9 0 U1 1 U2 19 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 1076-5670 BN 978-0-12-407700-3 J9 ADV IMAG ELECT PHYS JI Adv. Imag. Electron Phys. PY 2013 VL 179 BP 176 EP 178 PG 3 WC Microscopy SC Microscopy GA BGK73 UT WOS:000323356800017 ER PT S AU Muller, M de Pablo, JJ AF Mueller, Marcus de Pablo, Juan J. BE Clarke, DR TI Computational Approaches for the Dynamics of Structure Formation in Self-Assembling Polymeric Materials SO ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 43 SE Annual Review of Materials Research LA English DT Review; Book Chapter DE computer simulation; free-energy functional; Onsager coefficient; single-chain dynamics; minimum free-energy path; heterogeneous multiscale method ID BLOCK-COPOLYMER MELTS; COARSE-GRAINED MODELS; DENSITY-FUNCTIONAL THEORY; CONSISTENT-FIELD THEORY; SLIP-LINK MODEL; 2-STEP PHASE-SEPARATION; FILM DIBLOCK COPOLYMERS; MONTE-CARLO SIMULATIONS; SPINODAL DECOMPOSITION; FREE-ENERGY AB Polymeric materials can assemble into a multitude of intricate nanoscale morphologies whose free energy differs by only a fraction of the thermal energy per molecule. Such small free-energy differences pose a challenge for modeling and simulation but also offer exciting opportunities to direct the assembly of such materials into morphologies that do not correspond to those of equilibrium bulk structures. Over the past decade, significant progress has been achieved in our ability to guide their self-assembly through the use of confinement, topographical or chemical patterns, and electric fields. In contrast, approaches to guide self-assembly by tailoring the dynamics of structure formation have received less attention. This review discusses opportunities and challenges of recently developed computational strategies to predict the dynamics of self-assembly of polymeric materials on the basis of the underlying free-energy landscape. C1 [Mueller, Marcus] Univ Gottingen, Inst Theoret Phys, D-37077 Gottingen, Germany. [de Pablo, Juan J.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [de Pablo, Juan J.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Muller, M (reprint author), Univ Gottingen, Inst Theoret Phys, D-37077 Gottingen, Germany. EM mmueller@theorie.physik.uni-goettingen.de; depablo@uchicago.edu RI Muller, Marcus/B-9898-2009 OI Muller, Marcus/0000-0002-7472-973X NR 175 TC 23 Z9 23 U1 13 U2 103 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1531-7331 BN 978-0-8243-1743-0 J9 ANNU REV MATER RES JI Ann. Rev. Mater. Res. PY 2013 VL 43 BP 1 EP 34 DI 10.1146/annurev-matsci-071312-121618 PG 34 WC Materials Science, Multidisciplinary SC Materials Science GA BGR44 UT WOS:000323892700001 ER PT S AU Holt, M Harder, R Winarski, R Rose, V AF Holt, Martin Harder, Ross Winarski, Robert Rose, Volker BE Clarke, DR TI Nanoscale Hard X-Ray Microscopy Methods for Materials Studies SO ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 43 SE Annual Review of Materials Research LA English DT Review; Book Chapter DE synchrotron X-ray; diffraction; fluorescence; tomography; nanomaterials ID SYNCHROTRON-RADIATION; DIFFRACTION MICROSCOPY; COMPUTED-TOMOGRAPHY; FLUORESCENCE CHARACTERIZATION; STRAIN-MEASUREMENTS; PHASE RETRIEVAL; NEAR-EDGE; RESOLUTION; CONTRAST; TRANSMISSION AB This review discusses recent progress in the development of hard X-ray microscopy techniques for materials characterization at the nanoscale. Although the utility of traditionally ensemble-based X-ray techniques in materials research has been widely recognized, the utility of X-ray techniques as a tool for local characterization of nanoscale materials properties has undergone rapid development in recent years. Owing to a confluence of improvements in synchrotron source brightness, focusing optics fabrication, detection, and data analysis, nanoscale X-ray imaging techniques have moved beyond proof-of-principle experiments to play a central role in synchrotron user programs worldwide with high-impact applications made to materials science questions. Here, we review the current state of synchrotron-based, hard X-ray nanoscale microscopy techniques-including 3D tomographic visualization, spectroscopic elemental and chemical mapping, microdiffraction-based structural analysis, and coherent methods for nanomaterials imaging-with particular emphasis on applications to materials research. C1 [Holt, Martin; Winarski, Robert; Rose, Volker] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Harder, Ross; Rose, Volker] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Holt, M (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mvholt@anl.gov; rharder@aps.anl.gov; winarski@anl.gov; vrose@aps.anl.gov RI Rose, Volker/B-1103-2008 OI Rose, Volker/0000-0002-9027-1052 NR 141 TC 38 Z9 38 U1 7 U2 88 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1531-7331 BN 978-0-8243-1743-0 J9 ANNU REV MATER RES JI Ann. Rev. Mater. Res. PY 2013 VL 43 BP 183 EP 211 DI 10.1146/annurev-matsci-071312-121654 PG 29 WC Materials Science, Multidisciplinary SC Materials Science GA BGR44 UT WOS:000323892700008 ER PT S AU Vasdekis, AE Scott, EA Roke, S Hubbell, JA Psaltis, D AF Vasdekis, A. E. Scott, E. A. Roke, S. Hubbell, J. A. Psaltis, D. BE Clarke, DR TI Vesicle Photonics SO ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 43 SE Annual Review of Materials Research LA English DT Review; Book Chapter DE liposomes; polymersomes; optics; biophotonics; drug delivery ID CONFOCAL-RAMAN MICROSCOPY; BLOCK-COPOLYMER VESICLES; HOLLOW GOLD NANOSPHERES; UNILAMELLAR PHOSPHOLIPID-VESICLES; INFRARED-EMISSIVE POLYMERSOMES; LIPID VESICLES; 2ND-HARMONIC GENERATION; DRUG-DELIVERY; MOLECULAR-TRANSPORT; LIPOSOME BILAYER AB Amphiphiles, under appropriate conditions, can self-assemble into nanoscale thin membrane vessels (vesicles) that encapsulate and hence protect and transport molecular payloads. Vesicles assemble naturally within cells but can also be artificially synthesized. In this article, we review the mechanisms and applications of light-field interactions with vesicles. By being associated with light-emitting entities (e. g., dyes, fluorescent proteins, or quantum dots), vesicles can act as imaging agents in addition to cargo carriers. Vesicles can also be optically probed on the basis of their nonlinear response, typically from the vesicle membrane. Light fields can be employed to transport vesicles by using optical tweezers (photon momentum) or can directly perturb the stability of vesicles and hence trigger the delivery of the encapsulated payload (photon energy). We conclude with emerging vesicle applications in biology and photochemical microreactors. C1 [Vasdekis, A. E.; Psaltis, D.] Ecole Polytech Fed Lausanne, Sch Engn, Opt Lab, CH-1015 Lausanne, Switzerland. [Vasdekis, A. E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Scott, E. A.; Hubbell, J. A.] Ecole Polytech Fed Lausanne, Inst Bioengn, Sch Engn, CH-1015 Lausanne, Switzerland. [Roke, S.] Ecole Polytech Fed Lausanne, Lab Fundamental BioPhoton, Inst Bioengn, Sch Engn, CH-1015 Lausanne, Switzerland. [Hubbell, J. A.] Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, CH-1015 Lausanne, Switzerland. RP Psaltis, D (reprint author), Ecole Polytech Fed Lausanne, Sch Engn, Opt Lab, CH-1015 Lausanne, Switzerland. EM demetri.psaltis@epfl.ch RI Scott, Evan/K-1963-2014; Hubbell, Jeffrey/A-9266-2008; OI Hubbell, Jeffrey/0000-0003-0276-5456; Vasdekis, Andreas/0000-0003-4315-1047 NR 179 TC 8 Z9 8 U1 11 U2 83 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1531-7331 BN 978-0-8243-1743-0 J9 ANNU REV MATER RES JI Ann. Rev. Mater. Res. PY 2013 VL 43 BP 283 EP 305 DI 10.1146/annurev-matsci-071312-121724 PG 23 WC Materials Science, Multidisciplinary SC Materials Science GA BGR44 UT WOS:000323892700012 ER PT S AU Hallinan, DT Balsara, NP AF Hallinan, Daniel T., Jr. Balsara, Nitash P. BE Clarke, DR TI Polymer Electrolytes SO ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 43 SE Annual Review of Materials Research LA English DT Review; Book Chapter DE lithium batteries; fuel cells; desalination; block copolymer electrolytes; ionic conductivity; diffusion ID BLOCK-COPOLYMER ELECTROLYTES; POLY(ETHYLENE OXIDE) ELECTROLYTES; SINGLE-ION CONDUCTORS; ALKALI-METAL SALTS; TRANSPORT-PROPERTIES; MOLECULAR-WEIGHT; COUNTERION CONDENSATION; DIFFUSION-COEFFICIENTS; CONDUCTIVITY BEHAVIOR; BATTERY ELECTROLYTES AB This review article covers applications in which polymer electrolytes are used: lithium batteries, fuel cells, and water desalination. The ideas of electrochemical potential, salt activity, and ion transport are presented in the context of these applications. Potential is defined, and we show how a cell potential measurement can be used to ascertain salt activity. The transport parameters needed to fully specify a binary electrolyte (salt+solvent) are presented. We define five fundamentally different types of homogeneous electrolytes: type I (classical liquid electrolytes), type II (gel electrolytes), type III (dry polymer electrolytes), type IV(dry single-ion-conducting polymer electrolytes), and type V (solvated single-ion-conducting polymer electrolytes). Typical values of transport parameters are provided for all types of electrolytes. Comparison among the values provides insight into the transport mechanisms occurring in polymer electrolytes. It is desirable to decouple the mechanical properties of polymer electrolyte membranes from the ionic conductivity. One way to accomplish this is through the development of microphase-separated polymers, wherein one of the microphases conducts ions while the other enhances the mechanical rigidity of the heterogeneous polymer electrolyte. We cover all three types of conducting polymer electrolyte phases (types III, IV, and V). We present a simple framework that relates the transport parameters of heterogeneous electrolytes to homogeneous analogs. We conclude by discussing electrochemical stability of electrolytes and the effects of water contamination because of their relevance to applications such as lithium ion batteries. C1 [Hallinan, Daniel T., Jr.] Florida State Univ, Dept Chem & Biomed Engn, Florida A&M Univ, Coll Engn, Tallahassee, FL 32310 USA. [Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Balsara, NP (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM dhallinan@fsu.edu; nbalsara@berkeley.edu OI Hallinan, Daniel/0000-0002-3819-0992 NR 94 TC 154 Z9 154 U1 71 U2 482 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1531-7331 BN 978-0-8243-1743-0 J9 ANNU REV MATER RES JI Ann. Rev. Mater. Res. PY 2013 VL 43 BP 503 EP + DI 10.1146/annurev-matsci-071312-121705 PG 28 WC Materials Science, Multidisciplinary SC Materials Science GA BGR44 UT WOS:000323892700020 ER PT J AU Feng, Y Ramanathan, V Kotamarthi, VR AF Feng, Y. Ramanathan, V. Kotamarthi, V. R. TI Brown carbon: a significant atmospheric absorber of solar radiation? SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID CHEMICAL-TRANSPORT MODEL; LIGHT-ABSORPTION; ORGANIC-CARBON; BLACK CARBON; OPTICAL-PROPERTIES; SPECTRAL DEPENDENCE; PARTICULATE MATTER; AEROSOLS; AERONET; CLIMATE AB Several recent observational studies have shown organic carbon aerosols to be a significant source of absorption of solar radiation. The absorbing part of organic aerosols is referred to as "brown" carbon (BrC). Using a global chemical transport model and a radiative transfer model, we estimate for the first time the enhanced absorption of solar radiation due to BrC in a global model. The simulated wavelength dependence of aerosol absorption, as measured by the absorption Angstrolm exponent (AAE), increases from 0.9 for non-absorbing organic carbon to 1.2 (1.0) for strongly (moderately) absorbing BrC. The calculated AAE for the strongly absorbing BrC agrees with AERONET spectral observations at 440-870 nm over most regions but overpredicts for the biomass burning-dominated South America and southern Africa, in which the inclusion of moderately absorbing BrC has better agreement. The resulting aerosol absorption optical depth increases by 18% (3 %) at 550 nm and 56% (38 %) at 380 nm for strongly (moderately) absorbing BrC. The global simulations suggest that the strongly absorbing BrC contributes up to +0.25 Wm(-2) or 19% of the absorption by anthropogenic aerosols, while 72% is attributed to black carbon, and 9% is due to sulfate and non-absorbing organic aerosols coated on black carbon. Like black carbon, the absorption of BrC (moderately to strongly) inserts a warming effect at the top of the atmosphere (TOA) (0.04 to 0.11 Wm(-2)), while the effect at the surface is a reduction (-0.06 to -0.14 Wm(-2)). Inclusion of the strongly absorption of BrC in our model causes the direct radiative forcing (global mean) of organic carbon aerosols at the TOA to change from cooling (-0.08 Wm(-2)) to warming (+0.025 Wm(-2)). Over source regions and above clouds, the absorption of BrC is higher and thus can play an important role in photochemistry and the hydrologic cycle. C1 [Feng, Y.; Kotamarthi, V. R.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. [Ramanathan, V.] Univ Calif San Diego, Scripps Inst Oceanog, Ctr Cloud Chem & Climate, La Jolla, CA 92093 USA. RP Feng, Y (reprint author), Argonne Natl Lab, Div Environm Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM yfeng@anl.gov FU Argonne National Laboratory under US Department of Energy [DE-AC02-06CH11357]; National Science Foundation [AGS1016496] FX Support to Y. Feng and V. R. Kotamarthi for this research was provided by Argonne National Laboratory under US Department of Energy contract DE-AC02-06CH11357. V. Ramanathan's contribution to this study was supported by the National Science Foundation (Grant AGS1016496). All of the numerical simulations were performed by using the National Energy Research Scientific Computing Center's CrayXE6 Hopper. NR 64 TC 84 Z9 88 U1 6 U2 81 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2013 VL 13 IS 17 BP 8607 EP 8621 DI 10.5194/acp-13-8607-2013 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 217YX UT WOS:000324400600006 ER PT J AU Basu, S Guerlet, S Butz, A Houweling, S Hasekamp, O Aben, I Krummel, P Steele, P Langenfelds, R Torn, M Biraud, S Stephens, B Andrews, A Worthy, D AF Basu, S. Guerlet, S. Butz, A. Houweling, S. Hasekamp, O. Aben, I. Krummel, P. Steele, P. Langenfelds, R. Torn, M. Biraud, S. Stephens, B. Andrews, A. Worthy, D. TI Global CO2 fluxes estimated from GOSAT retrievals of total column CO2 SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID CARBON-DIOXIDE EXCHANGE; ATMOSPHERIC CO2; SATELLITE-OBSERVATIONS; GREENHOUSE GASES; OBSERVING NETWORK; SURFACE FLUXES; TRANSPORT; SINKS; INVERSIONS; SPACE AB We present one of the first estimates of the global distribution of CO2 surface fluxes using total column CO2 measurements retrieved by the SRON-KIT RemoTeC algorithm from the Greenhouse gases Observing SATellite (GOSAT). We derive optimized fluxes from June 2009 to December 2010. We estimate fluxes from surface CO2 measurements to use as baselines for comparing GOSAT data-derived fluxes. Assimilating only GOSAT data, we can reproduce the observed CO2 time series at surface and TC-CON sites in the tropics and the northern extra-tropics. In contrast, in the southern extra-tropics GOSAT X-CO2 leads to enhanced seasonal cycle amplitudes compared to independent measurements, and we identify it as the result of a land-sea bias in our GOSAT X-CO2 retrievals. A bias correction in the form of a global offset between GOSAT land and sea pixels in a joint inversion of satellite and surface measurements of CO2 yields plausible global flux estimates which are more tightly constrained than in an inversion using surface CO2 data alone. We show that assimilating the biascorrected GOSAT data on top of surface CO2 data (a) reduces the estimated global land sink of CO2, and (b) shifts the terrestrial net uptake of carbon from the tropics to the extratropics. It is concluded that while GOSAT total column CO2 provide useful constraints for source-sink inversions, small spatiotemporal biases -beyond what can be detected using current validation techniques - have serious consequences for optimized fluxes, even aggregated over continental scales. C1 [Basu, S.; Guerlet, S.; Houweling, S.; Hasekamp, O.; Aben, I.] SRON Netherlands Inst Space Res, Utrecht, Netherlands. [Basu, S.; Houweling, S.] Univ Utrecht, Inst Marine & Atmospher Res, Utrecht, Netherlands. [Butz, A.] Karlsruhe Inst Technol, IMK ASF, D-76021 Karlsruhe, Germany. [Krummel, P.; Steele, P.; Langenfelds, R.] Commonwealth Sci & Ind Res Org, Melbourne, Vic, Australia. [Torn, M.; Biraud, S.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Worthy, D.] Environm Canada, Toronto, ON, Canada. RP Basu, S (reprint author), SRON Netherlands Inst Space Res, Utrecht, Netherlands. EM s.basu@sron.nl RI Butz, Andre/A-7024-2013; Krummel, Paul/A-4293-2013; Biraud, Sebastien/M-5267-2013; Andrews, Arlyn/K-3427-2012; Stephens, Britton/B-7962-2008; Steele, Paul/B-3185-2009; Torn, Margaret/D-2305-2015; Langenfelds, Raymond/B-5381-2012 OI Butz, Andre/0000-0003-0593-1608; Krummel, Paul/0000-0002-4884-3678; Biraud, Sebastien/0000-0001-7697-933X; Stephens, Britton/0000-0002-1966-6182; Steele, Paul/0000-0002-8234-3730; FU Emmy-Noether program of the Deutsche Forschungsgemeinschaft (DFG) [BU2599/1-1]; Gebruikersondersteuning ruimteonderzoek program of the Nederlandse organisatie voor Wetenschappelijk Onderzoek (NWO) [ALW-GO-AO/08-10]; European Space Agency's Climate Change Initiative on Greenhouse Gases (ESA GHG-CCI); SARA through NCF [SH-026-12]; Terrestrial Ecology Program of the National Aeronautics and Space Administration (NASA) [NNX11AG01G]; Orbiting Carbon Observatory Program; Space (ACOS) Program; DOE/ARM Program; NASA; Australian Research Council [LE0668470, DP0879468, DP110103118, LP0562346]; Bialystok TCCON site from Senate of Bremen; Orleans TCCON site from Senate of Bremen; EU project IMECC; EU project GEOmon FX We thank Frederic Chevallier for providing us with fossil fuel adjusted flux aggregates from Chevallier et al. (2011) and the CONTRAIL PIs Toshinobu Machida, Hidekazu Matsueda and Yousuke Sawa for providing the CONTRAIL data. Andre Butz was supported by the Emmy-Noether program of the Deutsche Forschungsgemeinschaft (DFG) through grant BU2599/1-1 (RemoteC). Sourish Basu was supported by the Gebruikersondersteuning ruimteonderzoek program of the Nederlandse organisatie voor Wetenschappelijk Onderzoek (NWO) through project ALW-GO-AO/08-10. Sandrine Guerlet was funded by the European Space Agency's Climate Change Initiative on Greenhouse Gases (ESA GHG-CCI). Computer resources for model runs was provided by SARA through NCF project number SH-026-12. Access to GOSAT data was granted through the 2nd GOSAT research announcement jointly issued by JAXA, NIES and MOE. TCCON data were obtained from the TCCON Data Archive, operated by the California Institute of Technology from the website at http://tccon.ipac.caltech.edu/. US funding for TCCON comes from the Terrestrial Ecology Program of the National Aeronautics and Space Administration (NASA), grant number NNX11AG01G, the Orbiting Carbon Observatory Program, the Atmospheric CO2 Observations from Space (ACOS) Program and the DOE/ARM Program. Some of the research described in this paper was performed at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with NASA. We acknowledge funding to support the Wollongong TCCON instrument from the Australian Research Council, projects LE0668470, DP0879468, DP110103118 and LP0562346. We acknowledge financial support of the Bialystok and Orleans TCCON sites from the Senate of Bremen and EU projects IMECC and GEOmon as well as maintenance and logistical work provided by AeroMeteo Service (Bialystok) and the RAMCES team at LSCE (Gif-sur-Yvette, France). NR 71 TC 41 Z9 43 U1 0 U2 39 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2013 VL 13 IS 17 BP 8695 EP 8717 DI 10.5194/acp-13-8695-2013 PG 23 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 217YX UT WOS:000324400600011 ER PT J AU Guilderson, TP McCarthy, MD Dunbar, RB Englebrecht, A Roark, EB AF Guilderson, T. P. McCarthy, M. D. Dunbar, R. B. Englebrecht, A. Roark, E. B. TI Late Holocene variations in Pacific surface circulation and biogeochemistry inferred from proteinaceous deep-sea corals SO BIOGEOSCIENCES LA English DT Article ID NORTHWESTERN HAWAIIAN-ISLANDS; RADIOCARBON-BASED AGES; ISOTOPIC COMPOSITION; EQUATORIAL PACIFIC; GORGONIAN CORALS; SUBTROPICAL GYRE; CLIMATE SIGNALS; STATION ALOHA; BAMBOO CORALS; CARBON EXPORT AB delta N-15 and delta C-13 data obtained from samples of proteinaceous deep-sea corals collected from the North Pacific Subtropical Gyre (Hawaiian Archipelago) and the central equatorial Pacific (Line Islands) document multidecadal to century-scale variability in the isotopic composition of surface-produced particulate organic matter exported to the deep sea. Comparison of the delta C-13 data, where Line Islands samples are 0.6 parts per thousand more positive than the Hawaiian samples, supports the contention that the North Pacific Subtropical Gyre is more efficient than the tropical upwelling system at trapping and/or recycling nutrients within the mixed layer. delta N-15 values from the Line Islands samples are also more positive than those from the central gyre, and within the Hawaiian samples there is a gradient with more positive delta N-15 values in samples from the main Hawaiian Islands versus the French Frigate Shoals in the Northwestern Hawaiian Islands. The gradient in the Hawaiian samples likely reflects the relative importance of algal acquisition of metabolic N via dissolved seawater nitrate uptake versus nitrogen fixation. The Hawaiian sample set also exhibits a strong decrease in delta N-15 values from the mid-Holocene to present. We hypothesize that this decrease is most likely the result of decreasing trade winds, and possibly a commensurate decrease in entrainment of more positive delta N-15-NO3 subthermocline water masses. C1 [Guilderson, T. P.; Englebrecht, A.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Guilderson, T. P.; McCarthy, M. D.] Univ Calif Santa Cruz, Inst Marine Sci, Santa Cruz, CA 95064 USA. [Guilderson, T. P.; McCarthy, M. D.] Univ Calif Santa Cruz, Dept Ocean Sci, Santa Cruz, CA 95064 USA. [Dunbar, R. B.; Roark, E. B.] Stanford Univ, Dept Environm Earth Syst Sci, Stanford, CA 94305 USA. RP Guilderson, TP (reprint author), Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. EM tguilderson@llnl.gov RI Roark, Erin/D-4124-2013 OI Roark, Erin/0000-0002-1742-9642 FU NOAA's Hawaiian Undersea Research Laboratory; National Geographic Society [7717-04]; NOAA's Office of Global Programs [NA05OAR4310021, NA05OAR4310017]; National Science Foundation [OCE-0551792, OCE-0551481, OCE-1061689]; US Department of Energy [W-7405-Eng-48, DE-AC52-07NA27344] FX We are particularly grateful to the captain and crew of the R/V Ka'imikai-o-Kanaloa, and the engineers and pilots of the Pisces IV and V research submersibles. Collection of the deep-sea coral samples was supported by NOAA's Hawaiian Undersea Research Laboratory with additional support provided by the National Geographic Society (7717-04). Analyses of the Hawaiian samples were funded by NOAA's Office of Global Programs (NA05OAR4310021 and NA05OAR4310017) and the Line Islands samples by the National Science Foundation (OCE-0551792 and OCE-0551481). Additional support was provided by NSF OCE-1061689. Radiocarbon analyses were performed under the auspices of the US Department of Energy (contract W-7405-Eng-48 and DE-AC52-07NA27344). We would like to thank two summer interns who helped section and prepare a number of the deep-sea coral specimens for analyses: Kate Dydak (Wake Forest University via the DOE SURE program) and Nicole Werner (a teacher at Classical Academy High School, Escondido, CA, via the Teacher's Research Academy). We thank Leif Thomas for discussing eddy-generating mechanisms with us. This manuscript benefited from constructive reviews from two anonymous reviewers. Isotope data will be archived at the NOAA-NGDC paleodatabase. This is LLNL-JRNL-609577. NR 58 TC 4 Z9 4 U1 2 U2 22 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 EI 1726-4189 J9 BIOGEOSCIENCES JI Biogeosciences PY 2013 VL 10 IS 9 BP 6019 EP 6028 DI 10.5194/bg-10-6019-2013 PG 10 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 218VG UT WOS:000324460000016 ER PT S AU Coutant, CC AF Coutant, Charles C. BE Bulak, JS Coutant, CC Rice, JA TI When Is Habitat Limiting for Striped Bass? Three Decades of Testing the Temperature-Oxygen Squeeze Hypothesis SO BIOLOGY AND MANAGEMENT OF INLAND STRIPED BASS AND HYBRID STRIPED BASS SE American Fisheries Society Symposium LA English DT Proceedings Paper CT Symposium on Striper 2009: Inland Striped Bass and Hybrid Striped Bass Management / 139th Annual Meeting of the American-Fisheries-Society CY AUG 31-SEP 02, 2009 CL Nashville, TN SP Amer Fisheries Soc, So Div, Striped Bass Tech Comm, US Fish & Wildlife Serv, SE Reg, US Fish & Wildlife Serv, Panama City Field Off, US Fish & Wildlife Serv, Welaks Natl Fish Hatchery, Arkansas Game & Fish Commiss, S Carolina Dept Nat Resources, Texas Pk & Wildlife, Harry Hampton Mem Wildlife Fund, Duke Energy, Amer Fisheries Soc, Fisheries Management Sect, Amer Fisheries Soc, N Cent Div, Amer Fisheries Soc, Oklahoma Chapter, Santee Cooper Country, Striped Bass Conservat Coalit, Striper Kings, Amer Fisheries Soc, Tennessee Chapter, Amer Fisheries Soc, Texas Chapter, Midlands Striper Club, Amer Fisheries Soc, Arkansas Chapter, Jordan Lake Striper Club, Amer Fisheries Soc, S Carolina Chapter, Amer Fisheries Soc, Virginia Chapter, Appalachian Aquat ID WATER-QUALITY; CHESAPEAKE BAY; SUMMER HABITAT; SITE FIDELITY; SPECULATIVE HYPOTHESIS; MORONE-SAXATILIS; SOUTH-CAROLINA; FRESH-WATER; RESERVOIR; GROWTH AB Striped bass Morone saxatilis, originally a coastal and estuarine species, has been introduced in reservoirs in the southeastern and western United States. Although such stocking established many successful fisheries, there were troublesome die-offs of adult striped bass (3-9 kg, generally >5 kg) in some waters, usually in late summer. In contrast, juveniles and small adults thrived. In response to these patterns, my students and I conducted several years of telemetry studies of adult striped bass, primarily in Cherokee and Watts Bar reservoirs, Tennessee, and laboratory studies of juvenile temperature selection. In 1985, I published the "temperature oxygen squeeze" hypothesis to explain mortalities of large fish on the basis of limited availability of cool (<25 degrees C), oxygenated (>2 mg/L) water in summer while juveniles successfully occupied a warmer thermal niche (>25 degrees C). We now have more than 20 years of research and management since 1985, primarily across the Southeast, in which the published hypothesis has, explicitly or not, been tested, generally confirmed, and applied to management. This retrospective paper reviews the studies our team conducted to develop and test the hypothesis and about 20 years of relevant studies by others that have added important nuances, addressed lingering issues, and turned a controversial idea into generally accepted understanding and management practice. Nonetheless, issues remain for understanding the effects of poor summer habitat on striped bass, such as why some studies show striped bass occupying warmer temperatures without mortalities and the role of prey availability in survival of fish obliged to occupy warm water. Other papers in this volume augment and extend the saga of progressively developing knowledge that this paper recalls of striped bass habitat requirements, thermal niche segregation by size (or age), and management constraints and opportunities. C1 [Coutant, Charles C.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. EM ccoutant3@comcast.net NR 80 TC 9 Z9 9 U1 3 U2 9 PU AMER FISHERIES SOC PI BETHESDA PA 5410 GROSVENOR LANE, STE 110, BETHESDA, MD 20814-2199 USA SN 0892-2284 BN 978-1-934874-36-3 J9 AM FISH S S JI Am. Fish. Soc. Symp. PY 2013 VL 80 BP 65 EP 91 PG 27 WC Fisheries; Marine & Freshwater Biology SC Fisheries; Marine & Freshwater Biology GA BGK26 UT WOS:000323292100005 ER PT S AU Pietryga, JM Padilha, LA Bae, WK Klimov, VI Schaller, RD AF Pietryga, Jeffrey M. Padilha, Lazaro A. Bae, Wan Ki Klimov, Victor I. Schaller, Richard D. BE Fountain, AW TI Probing the gamma-scintillation process in semiconductor nanomaterials using ultrafast transient cathodoluminescence SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING XIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XIV CY APR 30-MAY 03, 2013 CL Baltimore, MD SP SPIE DE nanocrystal; quantum dot; multiexciton; charged nanocrystal; radiation detection; cathodoluminescence ID NANOCRYSTAL QUANTUM DOTS; HOT-CARRIER TRANSFER; CHARGE SEPARATION; IRRADIATION; PERFORMANCE; COMPOSITES; EXCITATION; DECAY AB Energy-resolving gamma-ray detectors are of particular interest for the detection of illicit radioactive materials at border crossings and other portals because they offer fast, contactless screening that can discriminate between dangerous and benign materials. Among detector classes, scintillators offer an intriguing balance between cost and performance, but current technologies rely on single-crystal materials that are not scalable to portal-relevant detector sizes. Thus, there is a recognized need for novel, processible, high-performance scintillating materials or composites. Composites based on semiconductor nanocrystal quantum dots (QDs) are of interest because of their potentially high gamma-stopping power, high emission quantum yields, and low-cost solution synthesis and processing. Yet the performance of these and other granular nanomaterials has not met expectations. We suggest that this is due to the general lack of insight into the gamma-to-photons transduction process within these inherently more complex materials, which reduces the development and refinement of candidates to simple trial-and-error. Here, we describe the development of ultrafast transient cathodoluminescence as a unique spectroscopic tool for probing the population of excited states formed within a material during scintillation, and thus determining the major sources of energy loss. Our analysis shows that in the case of CdSe/ZnS core/shell QDs, any efficiency loss due to previously blamed factors of low-stopping power and high reabsorptive losses are likely dwarfed by the losses attributable to efficient, non-radiative Auger recombination. We examine how we reached this conclusion, and how this insight defines the characteristics needed in the next generation of scintillating QD composites. C1 [Pietryga, Jeffrey M.; Padilha, Lazaro A.; Bae, Wan Ki; Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Pietryga, JM (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. OI Klimov, Victor/0000-0003-1158-3179 NR 32 TC 0 Z9 0 U1 1 U2 9 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9501-3 J9 PROC SPIE PY 2013 VL 8710 AR UNSP 87101G DI 10.1117/12.2015495 PG 10 WC Optics; Spectroscopy SC Optics; Spectroscopy GA BGM68 UT WOS:000323515900044 ER PT B AU Janda, KB Killip, G AF Janda, Kathryn B. Killip, Gavin BE Henn, RL Hoffman, AJ TI Building Expertise: Renovation as Professional Innovation SO CONSTRUCTING GREEN: THE SOCIAL STRUCTURES OF SUSTAINABILITY SE Urban and Industrial Environments LA English DT Article; Book Chapter ID STOCK C1 [Janda, Kathryn B.; Killip, Gavin] Univ Oxford, Environm Change Inst, Oxford OX1 2JD, England. [Janda, Kathryn B.] Lawrence Berkeley Natl Lab, Energy Anal Program, Berkeley, CA USA. [Janda, Kathryn B.] Oberlin Coll, Oberlin, OH 44074 USA. RP Janda, KB (reprint author), Univ Oxford, Environm Change Inst, Oxford OX1 2JD, England. NR 48 TC 6 Z9 6 U1 1 U2 1 PU MIT PRESS PI CAMBRIDGE PA FIVE CAMBRIDGE CENTER, CAMBRIDGE, MA 02142 USA BN 978-0-262-51962-5 J9 URBAN IND ENVIRON PY 2013 BP 35 EP 55 PG 21 WC Environmental Studies; Urban Studies SC Environmental Sciences & Ecology; Urban Studies GA BGM30 UT WOS:000323494300003 ER PT S AU Singh, R Azad, AK Zhang, W AF Singh, R. Azad, A. K. Zhang, W. BE Saeedkia, D TI Resonant field enhancement of terahertz waves in subwavelength plasmonic structures SO HANDBOOK OF TERAHERTZ TECHNOLOGY FOR IMAGING, SENSING AND COMMUNICATIONS SE Woodhead Publishing Series in Electronic and Optical Materials LA English DT Article; Book Chapter DE terahertz waves; surface plasmon polaritons; subwavelength; field enhancement ID TIME-DOMAIN SPECTROSCOPY; METALLIC HOLE ARRAYS; SURFACE-PLASMON; TRANSMISSION PROPERTIES; METAMATERIALS; APERTURES; THIN; RADIATION; LIGHT; FILMS AB Resonant terahertz field enhancement is investigated in arrays of subwavelength holes patterned on metals, semiconductors and superconductors. The effects of array film thickness, the dielectric function of metals, and a dielectric overlayer were investigated by the state-of-the-art terahertz spectroscopy. Extraordinary terahertz transmission was demonstrated in arrays of subwavelength holes made even from Pb, generally a poor metal, and having optically thin thicknesses less than one-third of a skin depth. We also demonstrate active control of surface plasmons at terahertz frequencies. Direct transitions of surface plasmon modes from a photonic crystal minimum or an inductive-capacitive metamaterial resonance in photo-doped semiconductor arrays are observed. In addition, we demonstrate a superconducting plasmonic array of subwavelength holes with active thermal control over the resonant transmission. Such plasmonic structures are promising in terahertz imaging, biomedical sensing, subwavelength terahertz spectroscopy and integrated terahertz devices. C1 [Singh, R.; Azad, A. K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Zhang, W.] Oklahoma State Univ, Sch Elect & Comp Engn, Stillwater, OK 74078 USA. RP Zhang, W (reprint author), Oklahoma State Univ, Sch Elect & Comp Engn, Stillwater, OK 74078 USA. EM weili.zhang@okstate.edu OI Azad, Abul/0000-0002-7784-7432 NR 45 TC 0 Z9 0 U1 0 U2 1 PU WOODHEAD PUBL LTD PI CAMBRIDGE PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND SN 2050-1501 BN 978-0-85709-649-4 J9 WOODH PUB SER ELECT PY 2013 IS 34 BP 272 EP 294 DI 10.1533/9780857096494.2.272 D2 10.1533/9780857096494 PG 23 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BGS81 UT WOS:000324039000010 ER PT S AU Oppenheim, IJ Greve, DW Chen, AF AF Oppenheim, Irving J. Greve, David W. Chen, Antonia F. BE Kundu, T TI A Flexible Insert for Wireless Strain Sensing SO HEALTH MONITORING OF STRUCTURAL AND BIOLOGICAL SYSTEMS 2013 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Health Monitoring of Structural and Biological Systems CY MAR 11-14, 2013 CL San Diego, CA SP SPIE, Amer Soc Mech Engineers DE Flexible insert; intramedullary nail; SAW device; strain sensing; wireless ID INTRAMEDULLARY NAIL AB We fabricated and tested (in a laboratory configuration) a flexible insert for wireless strain sensing in an intramedullary tibial nail. The nail is a thick-walled titanium tube with an anatomic bend, and our flexible insert was designed to be advanced into the hollow of the nail by a surgeon during the late stages of the fracture fixation process. The flexible insert is a stainless steel rod, 170 mm long, with a part-circular section, roughly 4 mm wide and 2 mm deep that is slightly smaller than the hollow. A lithium niobate SAW device developed by our research team, with an operating frequency of 468 MHz, is bonded to the insert and demonstrates wireless strain sensing when the insert is bent. We describe the mechanics of the flexible insert, which can be used for structural monitoring applications where conventional strain gauge installation and wiring would be impractical. Because of its flexibility, the insert can be advanced into an irregular channel, such as the hollow of a tibial nail, or a narrow access path drilled into a solid. The insert will bend elastically into a configuration with at least three points of contact with the host body. The insert will be prestrained (in bending) during installation and need not be anchored or bonded to the host body other than through contact. Bending strain in the insert will vary as the host body deforms. We discuss possible application questions, and we demonstrate strain sensing in a laboratory specimen. C1 [Oppenheim, Irving J.] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. [Greve, David W.] Carnegie Mellon Univ, Dept Elect & Comp Eng, Pittsburgh, PA 15213 USA. [Greve, David W.] Natl Energy Technol Lab, Fac Fellow, Morgantown, WV USA. [Chen, Antonia F.] Univ Pittsburgh, Dept Orthopaed Surg, Pittsburgh, PA 15260 USA. RP Oppenheim, IJ (reprint author), Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. EM ijo@cmu.edu FU Heinz Endowment FX The authors gratefully acknowledge support from the Heinz Endowment. NR 14 TC 0 Z9 0 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9478-8 J9 PROC SPIE PY 2013 VL 8695 AR UNSP 86951Y DI 10.1117/12.2008935 PG 11 WC Engineering, Biomedical; Engineering, Civil; Optics SC Engineering; Optics GA BGI16 UT WOS:000323074200051 ER PT J AU Colbaugh, R Glass, K AF Colbaugh, Richard Glass, Kristin BA Yang, C Mao, W Zheng, X Wang, H BF Yang, C Mao, W Zheng, X Wang, H TI Proactive Cyber Defense SO INTELLIGENT SYSTEMS FOR SECURITY INFORMATICS SE Intelligent Systems Series LA English DT Article; Book Chapter C1 [Colbaugh, Richard; Glass, Kristin] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Colbaugh, R (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 23 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA BN 978-0-12-405902-3 J9 INTELL SYST SER PY 2013 BP 29 EP 50 DI 10.1016/B978-0-12-404702-0.00002-1 PG 22 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BGQ41 UT WOS:000323774000003 ER PT S AU Odyniec, G AF Odyniec, Grazyna GP IOP TI The RHIC Beam Energy Scan program in STAR and what's next ... SO INTERNATIONAL WORKSHOP ON DISCOVERY PHYSICS AT THE LHC (KRUGER2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 2nd International Workshop on Discovery Physics at the LHC CY DEC 03-07, 2012 CL SOUTH AFRICA SP Natl Inst Theoret Phys (NITHeP), SACERN Programme, UCT CERN Res Ctr, Univ Johannesburg, Univ Witwatersrand, iThemba Labs ID QUARK-GLUON PLASMA; CRITICAL END-POINT; MODEL; COLLISIONS; QCD AB In 2010, the Relativistic Heavy Ion Collider (RHIC) launched a multi-step experimental program to investigate the phase diagram of strongly interacting nuclear matter. The exploratory phase I of the Beam Energy Scan (BES) program was completed in 2011 with data sets ranging from 39 GeV down to 7.7 GeV. This, together with larger data sets at 62, 130 and 200 GeV, allowed for an initial look into the uncharted territory of QCD phase diagram. This diagram is considered to be the single most important graph of our field. All measurements taken by the STAR (Solenoidal Tracker At RHIC) detector at root s(NN) below the RHIC injection energy are affected by large statistical errors, steeply increasing with decreased energy. Nevertheless, they allowed for the first time a direct study of the anticipated critical point and phase transition signatures. The plans and the preparation for phase II of the BES program, with one order of magnitude larger statistics, are discussed. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Odyniec, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM G_Odyniec@lbl.gov NR 40 TC 9 Z9 10 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 455 AR UNSP 012037 DI 10.1088/1742-6596/455/1/012037 PG 10 WC Physics, Multidisciplinary SC Physics GA BGS40 UT WOS:000323975400037 ER PT S AU Powell, CB AF Powell, Christopher Beresford CA STAR Collaboration GP IOP TI Quarkonia production at the STAR detector SO INTERNATIONAL WORKSHOP ON DISCOVERY PHYSICS AT THE LHC (KRUGER2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 2nd International Workshop on Discovery Physics at the LHC CY DEC 03-07, 2012 CL SOUTH AFRICA SP Natl Inst Theoret Phys (NITHeP), SACERN Programme, UCT CERN Res Ctr, Univ Johannesburg, Univ Witwatersrand, iThemba Labs ID HEAVY-ION COLLISIONS; NUCLEAR-MATTER; COALESCENCE; SUPPRESSION AB In this article we report on the results of quarkonia production in p+p, d+Au, and Au+Au collisions at midrapidity via the dielectron decay channel at root s(NN) = 200 GeV from STAR. Results from J/psi, production in p+p collisions for p(T) < 14 GeV/c are presented to provide a baseline for studying suppression in heavy ion collisions and are also used to understand the quarkonium production mechanism. The nuclear modification factor for J/psi, in d+Au collisions for p(T) < 5 GeV/c and Au+Au collisions for p(T) < 10 GeV/c is reported, along with J/psi, elliptic flow v(2) in Au+Au collisions. The results from Upsilon(1S+2S+3S) production in p+p and Au+Au collisions are also provided, and the Upsilon nuclear modification factor in Au+Au collisions is presented. C1 [Powell, Christopher Beresford] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Powell, CB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM cpowell001@gmail.com NR 35 TC 2 Z9 2 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 455 AR UNSP 012038 DI 10.1088/1742-6596/455/1/012038 PG 8 WC Physics, Multidisciplinary SC Physics GA BGS40 UT WOS:000323975400038 ER PT J AU Mernild, SH Pelto, M Malmros, JK Yde, JC Knudsen, NT Hanna, E AF Mernild, Sebastian H. Pelto, Mauri Malmros, Jeppe K. Yde, Jacob C. Knudsen, Niels T. Hanna, Edward TI Identification of snow ablation rate, ELA, AAR and net mass balance using transient snowline variations on two Arctic glaciers SO JOURNAL OF GLACIOLOGY LA English DT Article ID LEMON-CREEK GLACIER; SOUTHEAST GREENLAND; MITTIVAKKAT GLACIER; AMMASSALIK ISLAND; TAKU GLACIER; ALASKA; GLETSCHER; AREA AB Identification of the transient snowline (TSL) from high spatial resolution Landsat imagery on Lemon Creek Glacier (LCG), southeast Alaska, USA, and Mittivakkat Gletscher (MG), southeast Greenland, is used to determine snow ablation rates, the equilibrium-line altitude (ELA) and the accumulation-area ratio (AAR). The rate of rise of the TSL during the ablation season on a glacier where the balance gradient is known provides a measure of the snow ablation rate. On both LCG and MG, snow pits were completed in regions that the TSL subsequently transects. This further provides a direct measure of the snow ablation rates for a particular year. TSL observations from multiple dates during the ablation season from 1998 to 2011 at LCG and 1999 to 2012 at MG were used to explore the consistency of the TSL rise and snow ablation rate. On LCG and MG the satellite-derived mean TSL migration rates were 3.8 +/- 0.6 and 9.4 +/- 9.1 m d(-1), respectively. The snow ablation rates were 0.028 +/- 0.004 m w.e. d(-1) for LCG and 0.051 +/- 0.018 m w.e. d(-1) for MG estimated by applying a TSL-mass-balance-gradient method, and 0.031 +/- 0.004 and 0.047 +/- 0.019 m w.e.d(-1) by applying a snow-pit satellite method, illustrating significant agreement between the two different approaches for both field sites. Also, satellite-derived ELA and AAR, and estimated net mass-balance (B-a) conditions were in agreement with observed ELA, AAR and B-a conditions for LCG and MG. C1 [Mernild, Sebastian H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM 87545 USA. [Mernild, Sebastian H.; Malmros, Jeppe K.] Ctr Estudios Cient, Glaciol & Climate Change Lab, Ctr Sci Studies, Valdivia, Chile. [Pelto, Mauri] Nichols Coll, Dept Environm Sci, Dudley, MA USA. [Yde, Jacob C.] Sogn Fjordane Univ Coll, Sogndal, Norway. [Knudsen, Niels T.] Univ Aarhus, Dept Geosci, Aarhus, Denmark. [Hanna, Edward] Univ Sheffield, Dept Geog, Sheffield S10 2TN, S Yorkshire, England. RP Mernild, SH (reprint author), Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM 87545 USA. EM mernild@cecs.cl RI Knudsen, Niels Tvis/A-2461-2014; Hanna, Edward/H-2219-2016; OI Hanna, Edward/0000-0002-8683-182X; Yde, Jacob Clement/0000-0002-6211-2601 FU Earth System Modeling program; Scientific Discovery for Advanced Computing (SciDAC) program within the US Department of Energy's Office of Science; Los Alamos National Laboratory (LANL) Director's Fellowship; National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396]; European Community's Seventh Framework Programme [262693] FX This work was supported by the Earth System Modeling program and by the Scientific Discovery for Advanced Computing (SciDAC) program within the US Department of Energy's Office of Science and by a Los Alamos National Laboratory (LANL) Director's Fellowship. LANL is operated under the auspices of the National Nuclear Security Administration of the US Department of Energy under contract No. DE-AC52-06NA25396, and partly from the European Community's Seventh Framework Programme under grant agreement No. 262693. The LCG mass-balance data would not exist without the leadership of JIRP directors Maynard Miller, Jay Fleischer and Jeff Kavanaugh. We also thank the May/June 2012 Mittivakkat Gletscher field crew for collecting winter balance and snow-pit data. S.H.M., J.K.M. and M.P. compiled the dataset and analyzed the data, and S.H.M. and M.P. wrote the manuscript. J.C.Y., J.K.M., N.T.K. and E.H. contributed to the discussion of results and writing of the text. NR 30 TC 15 Z9 15 U1 2 U2 12 PU INT GLACIOL SOC PI CAMBRIDGE PA LENSFIELD RD, CAMBRIDGE CB2 1ER, ENGLAND SN 0022-1430 J9 J GLACIOL JI J. Glaciol. PY 2013 VL 59 IS 216 BP 649 EP 659 DI 10.3189/2013JoG12J221 PG 11 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 214RP UT WOS:000324153800004 ER PT J AU Mernild, SH Knudsen, NT Hoffman, MJ Yde, JC Hanna, E Lipscomb, WH Malmros, JK Fausto, RS AF Mernild, Sebastian H. Knudsen, Niels T. Hoffman, Matthew J. Yde, Jacob C. Hanna, Edward Lipscomb, William H. Malmros, Jeppe K. Fausto, Robert S. TI Volume and velocity changes at Mittivakkat Gletscher, southeast Greenland SO JOURNAL OF GLACIOLOGY LA English DT Article ID SEA-LEVEL RISE; MASS-BALANCE; ICE-SHEET; AMMASSALIK ISLAND; SUBGLACIAL DRAINAGE; GLACIER CATCHMENT; WATER STORAGE; MELT; RUNOFF; PERSPECTIVE AB We document changes for Mittivakkat Gletscher, the peripheral glacier in Greenland with the longest field-based observed mass-balance and surface velocity time series. Between 1986 and 2011, this glacier changed by -15% in mean ice thickness and -30% in volume. We attribute these changes to summer warming and lower winter snow accumulation. Vertical strain compensated for similar to 60% of the elevation change due to surface mass balance (SMB) in the lower part, and similar to 25% in the upper part. The annual mean ice surface velocity changed by -30%, which can be fully explained by the dynamic effect of ice thinning, within uncertainty. Mittivakkat Gletscher summer surface velocities were on average 50-60% above winter background values, and up to 160% higher during peak velocity events. Peak velocity events were accompanied by uplift of a few centimeters. C1 [Mernild, Sebastian H.; Hoffman, Matthew J.; Lipscomb, William H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM 87545 USA. [Mernild, Sebastian H.; Malmros, Jeppe K.] Ctr Estudios Cient, Glaciol & Climate Change Lab, Ctr Sci Studies, Valdivia, Chile. [Knudsen, Niels T.] Aarhus Univ, Dept Geosci, Aarhus, Denmark. [Yde, Jacob C.] Sogn Fjordane Univ Coll, Sogndal, Norway. [Hanna, Edward] Univ Sheffield, Dept Geog, Sheffield S10 2TN, S Yorkshire, England. [Fausto, Robert S.] Geol Survey Denmark & Greenland, Copenhagen, Denmark. RP Mernild, SH (reprint author), Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM 87545 USA. EM mernild@cecs.cl RI Knudsen, Niels Tvis/A-2461-2014; Hanna, Edward/H-2219-2016; OI Hanna, Edward/0000-0002-8683-182X; Yde, Jacob Clement/0000-0002-6211-2601 FU Climate Change Prediction Program; Scientific Discovery for Advanced Computing (SciDAC) program within the US Department of Energy's Office of Science; Los Alamos National Laboratory (LANL) Director's Fellowship; National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396]; European Community's Seventh Framework Programme [262693] FX We extend a very special thanks to two anonymous reviewers and Mauri Pelto for insightful critique of this paper. This work was partly supported by the Climate Change Prediction Program and by the Scientific Discovery for Advanced Computing (SciDAC) program within the US Department of Energy's Office of Science and by a Los Alamos National Laboratory (LANL) Director's Fellowship. LANL is operated under the auspices of the National Nuclear Security Administration of the US Department of Energy under contract No. DE-AC52-06NA25396), and partly from the European Community's Seventh Framework Programme under grant agreement No. 262693. We thank the Danish Meteorological Institute for providing World Meteorological Organization synoptic meteorological data from Tasiilaq. N.T.K., S.H.M. and J.C.Y. did the MG mass-balance observations. S.H.M., N.T.K. and M.J.H. planned the study and analyzed the data, S.H.M., M.J.H., N.T.K. and J.C.Y. wrote the manuscript, and J.K.M., W.H.L., E.H. and R.S.F. contributed to the discussion of results and writing of the text. NR 56 TC 11 Z9 11 U1 1 U2 16 PU INT GLACIOL SOC PI CAMBRIDGE PA LENSFIELD RD, CAMBRIDGE CB2 1ER, ENGLAND SN 0022-1430 J9 J GLACIOL JI J. Glaciol. PY 2013 VL 59 IS 216 BP 660 EP 670 DI 10.3189/2013JoG13J017 PG 11 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 214RP UT WOS:000324153800005 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Aguilo, E Bergauer, T Dragicevic, M Ero, J Fabjan, C Friedl, M Fruhwirth, R Ghete, VM Hammer, J Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Pernicka, M Rahbaran, B Rohringer, C Rohringer, H Schofbeck, R Strauss, J Taurok, A Waltenberger, W Walzel, G Widl, E Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Bansal, M Bansal, S Cornelis, T De Wolf, EA Janssen, X Luyckx, S Mucibello, L Ochesanu, S Roland, B Rougny, R Selvaggi, M Staykova, Z Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Suarez, RG Kalogeropoulos, A Maes, M Olbrechts, A Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Clerbaux, B De Lentdecker, G Dero, V Gay, APR Hreus, T Leonard, A Marage, PE Mohammadi, A Reis, T Thomas, L Vander Marcken, G Vander Velde, C Vanlaer, P Wang, J Adler, V Beernaert, K Cimmino, A Costantini, S Garcia, G Grunewald, M Klein, B Lellouch, J Marinov, A Mccartin, J Rios, AAO Ryckbosch, D Strobbe, N Thyssen, F Tytgat, M Verwilligen, P Walsh, S Yazgan, E Zaganidis, N Basegmez, S Bruno, G Castello, R Ceard, L Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Schul, N Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Martins, MC Martins, T Pol, ME Souza, MHG Alda, WL Carvalho, W Custodio, A Da Costa, EM Damiao, DD Martins, CD De Souza, SF Figueiredo, DM Mundim, L Nogima, H Oguri, V Da Silva, WLP Santoro, A Jorge, LS Sznajder, A Anjos, TS Bernardes, CA Dias, FA Tomei, TRFP Gregores, EM Lagana, C Marinho, F Mercadante, PC Novaes, SF Padula, SS Genchev, V Iaydjiev, P Piperov, S Rodozov, M Stoykova, S Sultanov, G Tcholakov, V Trayanov, R Vutova, M Dimitrov, A Hadjiiska, R Kozhuharov, V Litov, L Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Jiang, CH Liang, D Liang, S Meng, X Tao, J Wang, J Wang, X Wang, Z Xiao, H Xu, M Zang, J Zhang, Z Asawatangtrakuldee, C Ban, Y Guo, Y Li, W Liu, S Mao, Y Qian, SJ Teng, H Wang, D Zhang, L Zou, W Avila, C Gomez, JP Moreno, BG Oliveros, AFO Sanabria, JC Godinovic, N Lelas, D Plestina, R Polic, D Puljak, I Antunovic, Z Kovac, M Brigljevic, V Duric, S Kadija, K Luetic, J Morovic, S Attikis, A Galanti, M Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Finger, M Finger, M Assran, Y Elgamma, S Kamel, AE Mahmoud, MA Radi, A Kadastik, M Muntel, M Raidal, M Rebane, L Tiko, A Eerola, P Fedi, G Voutilainen, M Harkonen, J Heikkinen, A Karimaki, V Kinnunen, R Kortelainen, MJ Lampen, T Lassila-Perini, K Lehti, S Linden, T Luukka, P Maenpaa, T Peltola, T Tuominen, E Tuominiemi, J Tuovinen, E Ungaro, D Wendland, L Banzuzi, K Karjalainen, A Korpela, A Tuuva, T Besancon, M Choudhury, S Dejardin, M Denegri, D Fabbro, B Faure, JL Ferri, F Ganjour, S Givernaud, A Gras, P de Monchenault, GH Jarry, P Locci, E Malcles, J Millischer, L Nayak, A Rander, J Rosowsky, A Shreyber, I Titov, M Baffioni, S Beaudette, F Benhabib, L Bianchini, L Bluj, M Broutin, C Busson, P Charlot, C Daci, N Dahms, T Dalchenko, M Dobrzynski, L de Cassagnac, RG Haguenauer, M Mine, P Mironov, C Naranjo, IN Nguyen, M Ochando, C Paganini, P Sabes, D Salerno, R Sirois, Y Veelken, C Zabi, A Agram, JL Andrea, J Bloch, D Bodin, D Brom, JM Cardaci, M Chabert, EC Collard, C Conte, E Drouhin, F Ferro, C Fontaine, JC Gele, D Goerlach, U Juillot, P Le Bihan, AC Van Hove, P Fassi, F Mercier, D Beauceron, S Beaupere, N Bondu, O Boudoul, G Chasserat, J Chierici, R Contardo, D Depasse, P El Mamouni, H Fay, J Gascon, S Gouzevitch, M Ille, B Kurca, T Lethuillier, M Mirabito, L Perries, S Sgandurra, L Sordini, V Tschudi, Y Verdier, P Viret, S Tsamalaidze, Z Anagnostou, G Autermann, C Beranek, S Edelhoff, M Feld, L Heracleous, N Hindrichs, O Jussen, R Klein, K Merz, J Ostapchuk, A Perieanu, A Raupach, F Sammet, J Schael, S Sprenger, D Weber, H Wittmer, B Zhukov, V Ata, M Caudron, J Dietz-Laursonn, E Duchardt, D Erdmann, M Fischer, R Guth, A Hebbeker, T Heidemann, C Hoepfner, K Klingebiel, D Kreuzer, P Merschmeyer, M Meyer, A Olschewski, M Papacz, P Pieta, H Reithler, H Schmitz, SA Sonnenschein, L Steggemann, J Teyssier, D Weber, M Bontenackels, M Cherepanov, V Erdogan, Y Flugge, G Geenen, H Geisler, M Ahmad, WH Hoehle, F Kargoll, B Kress, T Kuessel, Y Lingemann, J Nowack, A Perchalla, L Pooth, O Sauerland, P Stahl, A Martin, MA Behr, J Behrenhoff, W Behrens, U Bergholz, M Bethani, A Borras, K Burgmeier, A Cakir, A Calligaris, L Campbell, A Castro, E Costanza, F Dammann, D Pardos, CD Eckerlin, G Eckstein, D Flucke, G Geiser, A Glushkov, I Gunnellini, P Habib, S Hauk, J Hellwig, G Jung, H Kasemann, M Katsas, P Kleinwort, C Kluge, H Knutsson, A Kramer, M Krucker, D Kuznetsova, E Lange, W Lohmann, W Lutz, B Mankel, R Marfin, I Marienfeld, M Melzer-Pellmann, IA Meyer, AB Mnich, J Mussgiller, A Naumann-Emme, S Novgorodova, O Olzem, J Perrey, H Petrukhin, A Pitzl, D Raspereza, A Cipriano, PMR Riedl, C Ron, E Rosin, M Salfeld-Nebgen, J Schmidt, R Schoerner-Sadenius, T Sen, N Spiridonov, A Stein, M Walsh, R Wissing, C Blobel, V Draeger, J Enderle, H Erfle, J Gebbert, U Gorner, M Hermanns, T Hoing, RS Kaschube, K Kaussen, G Kirschenmann, H Klanner, R Lange, J Mura, B Nowak, F Peiffer, T Pietsch, N Rathjens, D Sander, C Schettler, H Schleper, P Schlieckau, E Schmidt, A Schroder, M Schum, T Sibille, MSJ Sibille, J Sola, V Stadie, H Steinbruck, G Thomsen, J Vanelderen, L Barth, C Berger, J Boser, C Chwalek, T De Boer, W Descroix, A Dierlamm, A Feindt, M Guthoff, M Hackstein, C Hartmann, F Hauth, T Heinrich, M Held, H Hoffmann, KH Husemann, U Katkov, I Komaragiri, JR Pardo, PL Martschei, D Mueller, S Muller, T Niegel, M Nurnberg, A Oberst, O Oehler, A Ott, J Quast, G Rabbertz, K Ratnikov, F Ratnikova, N Rocker, S Schilling, FP Schott, G Simonis, HJ Stober, FM Troendle, D Ulrich, R Wagner-Kuhr, J Wayand, S Weiler, T Zeise, M Daskalakis, G Geralis, T Kesisoglou, S Kyriakis, A Loukas, D Manolakos, I Markou, A Markou, C Mavrommatis, C Ntomari, E Gouskos, L Mertzimekis, TJ Panagiotou, A Saoulidou, N Evangelou, I Foudas, C Kokkas, P Manthos, N Papadopoulos, I Patras, V Bencze, G Hajdu, C Hidas, P Horvath, D Sikler, F Veszpremi, V Vesztergombi, G Beni, N Czellar, S Molnar, J Palinkas, J Szillasi, Z Karancsi, J Raics, P Trocsanyi, ZL Ujvari, B Beri, SB Bhatnagar, V Dhingra, N Gupta, R Kaur, M Mehta, MZ Nishu, N Saini, LK Sharma, A Singh, JB Kumar, A Kumar, A Ahuja, S Bhardwaj, A Choudhary, BC Malhotra, S Naimuddin, M Ranjan, K Sharma, V Shivpuri, RK Banerjee, S Bhattacharya, S Dutta, S Gomber, B Jain, S Jain, S Khurana, R Sarkar, S Sharan, M Abdulsalam, A Choudhury, RK Dutta, D Kailas, S Kumar, V Mehta, P Mohanty, AK Pant, LM Shukla, P Aziz, T Ganguly, S 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CA CMS Collaboration TI Search for heavy quarks decaying into a top quark and a W or Z boson using lepton plus jets events in pp collisions at root s=7 TeV SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Hadron-Hadron Scattering AB Results are presented from a search for the pair-production of heavy quarks, Q (A) over bar, that decay exclusively into a top quark and a W or Z boson. The search is performed using a sample of proton-proton collisions at root s = 7TeV corresponding to an integrated luminosity of 5.0 fb(-1), collected by the Compact Muon Solenoid experiment. The signal region is defined using a sample of events containing one electron or muon, missing transverse momentum, and at least four jets with large transverse momenta, where one jet is likely to originate from the decay of a bottom quark. No significant excess of events is observed with respect to the standard model expectations. 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[Basegmez, S.; Bruno, G.; Castello, R.; Ceard, L.; Delaere, C.; du Pree, T.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Lemaitre, V.; Liao, J.; Militaru, O.; Nuttens, C.; Pagano, D.; Pin, A.; Piotrzkowski, K.; Schul, N.; Garcia, J. M. Vizan] Catholic Univ Louvain, B-1348 Louvain, Belgium. [Beliy, N.; Caebergs, T.; Daubie, E.; Hammad, G. H.] Univ Mons, B-7000 Mons, Belgium. [Alves, G. A.; Correa Martins Junior, M.; Martins, T.; Pol, M. E.; Souza, M. H. G.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. [Alda Junior, W. L.; Carvalho, W.; Custodio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Oguri, V.; Prado Da Silva, W. L.; Santoro, A.; Soares Jorge, L.; Sznajder, A.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Anjos, T. S.; Bernardes, C. A.; Dias, F. A.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Lagana, C.; Marinho, F.; Mercadante, P. C.; Novaes, S. F.; Padula, Sandra S.] Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. [Genchev, V.; Iaydjiev, P.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Tcholakov, V.; Trayanov, R.; Vutova, M.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Dimitrov, A.; Hadjiiska, R.; Kozhuharov, V.; Litov, L.; Pavlov, B.; Petkov, P.] Univ Sofia, BU-1126 Sofia, Bulgaria. [Wang, J.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Jiang, C. H.; Liang, D.; Liang, S.; Meng, X.; Tao, J.; Wang, X.; Wang, Z.; Xiao, H.; Xu, M.; Zang, J.; Zhang, Z.] Inst High Energy Phys, Beijing 100039, Peoples R China. [Asawatangtrakuldee, C.; Ban, Y.; Guo, Y.; Li, W.; Liu, S.; Mao, Y.; Qian, S. J.; Teng, H.; Wang, D.; Zhang, L.; Zou, W.] Peking Univ, State Key Lab Nucl Phys & Tech, Beijing 100871, Peoples R China. [Avila, C.; Gomez, J. P.; Gomez Moreno, B.; Osorio Oliveros, A. F.; Sanabria, J. C.] Univ Los Andes, Bogota, Colombia. [Godinovic, N.; Lelas, D.; Plestina, R.; Polic, D.; Puljak, I.] Tech Univ Split, Split, Croatia. [Antunovic, Z.; Kovac, M.] Univ Split, Split, Croatia. [Brigljevic, V.; Duric, S.; Kadija, K.; Luetic, J.; Morovic, S.] Rudjer Boskovic Inst, Zagreb, Croatia. [Attikis, A.; Galanti, M.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.] Univ Cyprus, Nicosia, Cyprus. [Finger, M.; Finger, M., Jr.] Charles Univ Prague, Prague, Czech Republic. [Assran, Y.; Elgamma, S.; Kamel, A. Ellithi; Mahmoud, M. A.; Radi, A.] Egyptian Network High Energy Phys, Acad Sci Res & Technol Arab Republ Egypt, Cairo, Egypt. [Giammanco, A.; Kadastik, M.; Muentel, M.; Raidal, M.; Rebane, L.; Tiko, A.] NICPB, Tallinn, Estonia. [Eerola, P.; Fedi, G.; Voutilainen, M.] Univ Helsinki, Dept Phys, Helsinki, Finland. [Harkonen, J.; Heikkinen, A.; Karimaki, V.; Kinnunen, R.; Lampen, T.; Lassila-Perini, K.; Lehti, S.; Linden, T.; Luukka, P.; Maenpaa, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Ungaro, D.; Wendland, L.; Karjalainen, A.] Helsinki Inst Phys, Helsinki, Finland. [Banzuzi, K.; Karjalainen, A.; Korpela, A.; Tuuva, T.] Lappeenranta Univ Technol, Lappeenranta, Finland. [Besancon, M.; Choudhury, S.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; de Monchenault, G. Hamel; Jarry, P.; Locci, E.; Malcles, J.; Millischer, L.; Nayak, A.; Rander, J.; Rosowsky, A.; Shreyber, I.; Titov, M.] CEA Saclay, DSM IRFU, F-91191 Gif Sur Yvette, France. [Plestina, R.; Baffioni, S.; Beaudette, F.; Benhabib, L.; Bianchini, L.; Bluj, M.; Broutin, C.; Busson, P.; Charlot, C.; Daci, N.; Dahms, T.; Dalchenko, M.; Dobrzynski, L.; de Cassagnac, R. Granier; Haguenauer, M.; Mine, P.; Mironov, C.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Paganini, P.; Sabes, D.; Salerno, R.; Sirois, Y.; Veelken, C.; Zabi, A.; Bernet, C.] IN2P3 CNRS, Ecole Polytech, Lab Leprince Ringuet, Palaiseau, France. [Agram, J. -L.; Andrea, J.; Bloch, D.; Bodin, D.; Brom, J. -M.; Cardaci, M.; Chabert, E. C.; Collard, C.; Conte, E.; Drouhin, F.; Ferro, C.; Fontaine, J-C.; Gele, D.; Goerlach, U.; Juillot, P.; Le Bihan, A. -C.; Van Hove, P.] Univ Haute Alsace Mulhouse, Univ Strasbourg, Inst Pluridisciplinaire Hubert Curien, CNRS IN2P3, Strasbourg, France. [Fassi, F.; Mercier, D.] CNRS IN2P3, Inst Natl Phys Nucl & Phys Particules, Ctr Calcul, Villeurbanne, France. [Beauceron, S.; Beaupere, N.; Bondu, O.; Boudoul, G.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Sgandurra, L.; Sordini, V.; Tschudi, Y.; Verdier, P.; Viret, S.] Univ Lyon 1, CNRS IN2P3, Inst Phys Nucl Lyon, F-69622 Villeurbanne, France. [Tsamalaidze, Z.] Tbilisi State Univ, Inst High Energy Phys & Informatizat, GE-380086 Tbilisi, Rep of Georgia. [Anagnostou, G.; Autermann, C.; Beranek, S.; Edelhoff, M.; Feld, L.; Heracleous, N.; Hindrichs, O.; Jussen, R.; Klein, K.; Merz, J.; Ostapchuk, A.; Perieanu, A.; Raupach, F.; Sammet, J.; Schael, S.; Sprenger, D.; Weber, H.; Wittmer, B.; Zhukov, V.] Rhein Westfal TH Aachen, Phys Inst 1, Aachen, Germany. [Ata, M.; Caudron, J.; Dietz-Laursonn, E.; Duchardt, D.; Erdmann, M.; Fischer, R.; Gueth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Olschewski, M.; Papacz, P.; Pieta, H.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Steggemann, J.; Teyssier, D.; Weber, M.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Bontenackels, M.; Cherepanov, V.; Erdogan, Y.; Fluegge, G.; Geenen, H.; Geisler, M.; Ahmad, W. Haj; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Lingemann, J.; Nowack, A.; Perchalla, L.; Pooth, O.; Sauerland, P.; Stahl, A.] Rhein Westfal TH Aachen, Phys Inst B 3, Aachen, Germany. [Martin, M. Aldaya; Behr, J.; Behrenhoff, W.; Behrens, U.; Bergholz, M.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Castro, E.; Costanza, F.; Dammann, D.; Pardos, C. Diez; Eckerlin, G.; Eckstein, D.; Flucke, G.; Geiser, A.; Glushkov, I.; Gunnellini, P.; Habib, S.; Hauk, J.; Hellwig, G.; Jung, H.; Kasemann, M.; Katsas, P.; Kleinwort, C.; Kluge, H.; Knutsson, A.; Kraemer, M.; Kruecker, D.; Kuznetsova, E.; Lange, W.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Marienfeld, M.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Novgorodova, O.; Olzem, J.; Perrey, H.; Petrukhin, A.; Pitzl, D.; Raspereza, A.; Cipriano, P. M. Ribeiro; Riedl, C.; Ron, E.; Rosin, M.; Salfeld-Nebgen, J.; Schmidt, R.; Schoerner-Sadenius, T.; Sen, N.; Spiridonov, A.; Stein, M.; Walsh, R.; Wissing, C.] DESY, Hamburg, Germany. [Blobel, V.; Draeger, J.; Enderle, H.; Erfle, J.; Gebbert, U.; Goerner, M.; Hermanns, T.; Hoeing, R. S.; Kaschube, K.; Kaussen, G.; Kirschenmann, H.; Klanner, R.; Lange, J.; Mura, B.; Nowak, F.; Peiffer, T.; Pietsch, N.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Schroeder, M.; Schum, T.; Seidel, M.; Sibille, J.; Sola, V.; Stadie, H.; Steinbrueck, G.; Thomsen, J.; Vanelderen, L.] Univ Hamburg, Hamburg, Germany. [Barth, C.; Berger, J.; Boeser, C.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Guthoff, M.; Hackstein, C.; Hartmann, F.; Hauth, T.; Heinrich, M.; Held, H.; Hoffmann, K. H.; Husemann, U.; Katkov, I.; Komaragiri, J. R.; Pardo, P. Lobelle; Martschei, D.; Mueller, S.; Mueller, Th.; Niegel, M.; Nuernberg, A.; Oberst, O.; Oehler, A.; Ott, J.; Quast, G.; Rabbertz, K.; Ratnikov, F.; Ratnikova, N.; Roecker, S.; Schilling, F. -P.; Schott, G.; Simonis, H. J.; Stober, F. M.; Troendle, D.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Zeise, M.] Univ Karlsruhe, Inst Expt Kernphys, Karlsruhe, Germany. [Daskalakis, G.; Geralis, T.; Kesisoglou, S.; Kyriakis, A.; Loukas, D.; Manolakos, I.; Markou, A.; Markou, C.; Mavrommatis, C.; Ntomari, E.] Inst Nucl Phys Demokritos, Aghia Paraskevi, Greece. [Gouskos, L.; Mertzimekis, T. J.; Panagiotou, A.; Saoulidou, N.; Sphicas, P.] Univ Athens, Athens, Greece. [Evangelou, I.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Patras, V.] Univ Ioannina, GR-45110 Ioannina, Greece. [Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Krajczar, K.] KFKI Res Inst Particle & Nucl Phys, Budapest, Hungary. [Horvath, D.; Beni, N.; Czellar, S.; Molnar, J.; Palinkas, J.; Szillasi, Z.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Karancsi, J.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.] Univ Debrecen, H-4012 Debrecen, Hungary. [Beri, S. B.; Bhatnagar, V.; Dhingra, N.; Gupta, R.; Kaur, M.; Mehta, M. Z.; Nishu, N.; Saini, L. K.; Sharma, A.; Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Kumar, Ashok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, V.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Banerjee, S.; Bhattacharya, S.; Dutta, S.; Gomber, B.; Jain, Sa.; Jain, Sh.; Khurana, R.; Sarkar, S.; Sharan, M.] Saha Inst Nucl Phys, Kolkata, India. [Abdulsalam, A.; Choudhury, R. K.; Dutta, D.; Kailas, S.; Kumar, V.; Mehta, P.; Mohanty, A. K.; Pant, L. M.; Shukla, P.] Bhabha Atom Res Ctr, Mumbai 400085, Maharashtra, India. [Aziz, T.; Ganguly, S.; Guchait, M.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.] Tata Inst Fundamental Res EHEP, Mumbai, Maharashtra, India. [Banerjee, S.; Guchait, M.; Dugad, S.] Tata Inst Fundamental Res HECR, Mumbai, Maharashtra, India. [Arfaei, H.; Bakhshiansohi, H.; Etesami, S. M.; Fahim, A.; Hashemi, M.; Hesari, H.; Jafari, A.; Khakzad, M.; Najafabadi, M. Mohammadi; Mehdiabadi, S. Paktinat; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Marangelli, B.; My, S.; Nuzzo, S.; Pacifico, N.; Pompili, A.; Pugliese, G.; Selvaggi, G.; Silvestris, L.; Singh, G.; Venditti, R.; Zito, G.] INFN Sez Bari, Bari, Italy. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; De Palma, M.; Marangelli, B.; Nuzzo, S.; Pacifico, N.; Pompili, A.; Selvaggi, G.; Singh, G.; Venditti, R.] Univ Bari, Bari, Italy. [Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, F.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Travaglini, R.] INFN Sez Bologna, Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Capiluppi, P.; Castro, A.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Meneghelli, M.; Navarria, F. L.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] INFN Sez Catania, Catania, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gonzi, S.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.; Juodagalvis, A.] INFN Sez Firenze, Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gonzi, S.; Tropiano, A.] Univ Florence, Florence, Italy. [Fabbri, F.; Benussi, L.; Bianco, S.; Colafranceschi, S.; Piccolo, D.] INFN Lab Nazl Frascati, Frascati, Italy. [Fabbricatore, P.; Musenich, R.; Tosi, S.] INFN Sez Genova, Genoa, Italy. [Tosi, S.] Univ Genoa, Genoa, Italy. [Benaglia, A.; De Guio, F.; Di Matteo, L.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; Sala, S.; de Fatis, T. Tabarelli] INFN Sez Milano Bicocca, Milan, Italy. [Benaglia, A.; De Guio, F.; Di Matteo, L.; Fiorendi, S.; Ghezzi, A.; Manzoni, R. A.; Martelli, A.; Massironi, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Montoya, C. A. Carrillo; Cavallo, N.; De Cosa, A.; Dogangun, O.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] INFN Sez Napoli, Naples, Italy. [De Cosa, A.; Dogangun, O.; Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bellan, P.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dorigo, T.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Meneguzzo, A. T.; Nespolo, M.; Pazzini, J.; Ronchese, P.; Simonetto, F.; Torassa, E.; Vanini, S.; Zotto, P.; Zumerle, G.] INFN Sez Padova, Padua, Italy. [Bellan, P.; Bisello, D.; Branca, A.; Carlin, R.; Gasparini, F.; Gasparini, U.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Ronchese, P.; Simonetto, F.; Vanini, S.; Zotto, P.; Zumerle, G.] Univ Padua, Padua, Italy. [Kanishchev, K.; Lazzizzera, I.] Univ Trento Trento, Padua, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Torre, P.; Vitulo, P.] INFN Sez Pavia, Pavia, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Torre, P.; Vitulo, P.] Univ Pavia, I-27100 Pavia, Italy. [Biasini, M.; Bilei, G. M.; Fano, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Nappi, A.; Romeo, F.; Saha, A.; Santocchia, A.; Spiezia, A.; Taroni, S.; Pioppi, M.] INFN Sez Perugia, Perugia, Italy. [Biasini, M.; Fano, L.; Lariccia, P.; Mantovani, G.; Nappi, A.; Romeo, F.; Santocchia, A.; Spiezia, A.; Taroni, S.; Pioppi, M.] Univ Perugia, I-06100 Perugia, Italy. [Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; D'Agnolo, R. T.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. C.] INFN Sez Pisa, Pisa, Italy. [Fiori, F.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Azzurri, P.; Broccolo, G.; D'Agnolo, R. T.; Foa, L.; Ligabue, F.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Del Re, D.; Diemoz, M.; Fanelli, C.; Grassi, M.; Longo, E.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Sigamani, M.; Soffi, L.; Rovelli, C.] INFN Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Fanelli, C.; Grassi, M.; Longo, E.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.; Rovelli, C.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Biino, C.; Cartiglia, N.; Costa, M.; Demaria, N.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Pereira, A. Vilela] INFN Sez Torino, Turin, Italy. [Amapane, N.; Argiro, S.; Costa, M.; Migliore, E.; Monaco, V.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; Marone, M.; Montanino, D.; Penzo, A.; Schizzi, A.] INFN Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; Marone, M.; Montanino, D.; Schizzi, A.] Univ Trieste, Trieste, Italy. [Heo, S. C.; Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Chang, S.; Kim, D. H.; Kim, G. N.; Kong, D. J.; Park, H.; Ro, S. R.; Son, D. C.; Son, T.; Kamon, T.] Kyungpook Natl Univ, Taegu, South Korea. [Kim, J. Y.; Kim, Zero J.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Kim, D. H.; Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, T. J.; Lee, K. S.; Park, S. K.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Cho, Y.; Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Kwon, E.; Lee, B.; Lee, J.; Lee, S.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Bilinskas, M. J.; Grigelionis, I.; Janulis, M.; Juodagalvis, A.] Vilnius State Univ, Vilnius, Lithuania. [Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Lopez-Fernandez, R.; Magana Villalba, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.; Villasenor-Cendejas, L. M.] IPN, Ctr Invest & Estudios Avanzados, Mexico City 07738, DF, Mexico. [Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico. [Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Casimiro Linares, E.; Morelos Pineda, A.; Reyes-Santos, M. A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Bell, A. J.; Butler, P. H.; Doesburg, R.; Reucroft, S.; Silverwood, H.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, M.; Ansari, M. H.; Asghar, M. I.; Butt, J.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Qazi, S.; Shah, M. A.; Shoaib, M.] Univ Canterbury, Christchurch 1, New Zealand. [Bialkowska, H.; Boimska, B.; Frueboes, T.; Gokieli, R.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Almeida, N.; Bargassa, P.; David, A.; Faccioli, P.; Ferreira Parracho, P. C.; Gallinaro, M.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Tsamalaidze, Z.; Belotelov, I.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Kozlov, G.; Lanev, A.; Malakhov, A.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Smirnov, V.; Volodko, A.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Evstyukhin, S.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Matveev, V.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Musienko, Y.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Erofeeva, M.; Gavrilov, V.; Kossov, M.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Stolin, V.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Zhukov, V.; Katkov, I.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Markina, A.; Obraztsov, S.; Perfilov, M.; Petrushanko, S.; Popov, A.; Sarycheva, L.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Grishin, V.; Kachanov, V.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] State Res Ctr Russian Federat, Inst High Energy Phys, Protvino, Russia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Alcaraz Maestre, J.; Arce, P.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Dominguez Vazquez, D.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Merino, G.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Santaolalla, J.; Soares, M. S.; Willmott, C.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid, Spain. [Albajar, C.; Codispoti, G.; de Troconiz, J. F.] Univ Autonoma Madrid, Madrid, Spain. [Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Lloret Iglesias, L.; Piedra Gomez, J.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Chuang, S. H.; Duarte Campderros, J.; Felcini, M.; Fernandez, M.; Gomez, G.; Gonzalez Sanchez, J.; Graziano, A.; Jorda, C.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.] Univ Cantabria, CSIC, Inst Fis Cantabria IFCA, E-39005 Santander, Spain. [Genchev, V.; Iaydjiev, P.; Puljak, I.; Chierici, R.; Lingemann, J.; Guthoff, M.; Hauth, T.; Sharma, A.; Mohanty, A. K.; Calabria, C.; De Filippis, N.; Fasanella, D.; Meneghelli, M.; Di Matteo, L.; Gennai, S.; Massironi, A.; De Cosa, A.; Paolucci, P.; Bacchetta, N.; Branca, A.; Nespolo, M.; D'Agnolo, R. T.; Fiori, F.; Squillacioti, P.; Grassi, M.; Meridiani, P.; Mariotti, C.; Musich, M.; Montanino, D.; Grishin, V.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benitez, J. F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; D'Enterria, D.; Dabrowski, A.; De Roeck, A.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Frisch, B.; Funk, W.; Georgiou, G.; Giffels, M.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Giunta, M.; Glege, F.; Garrido, R. Gomez-Reino; Govoni, P.; Gowdy, S.; Guida, R.; Hansen, M.; Harris, P.; Hartl, C.; Harvey, J.; Hegner, B.; Hinzmann, A.; Innocente, V.; Janot, P.; Kaadze, K.; Karavakis, E.; Kousouris, K.; Lecoq, P.; Lee, Y. -J.; Lenzi, P.; Lourenco, C.; Magini, N.; Maeki, T.; Malberti, M.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moser, R.; Mozer, M. U.; Mulders, M.; Musella, P.; Nesvold, E.; Orimoto, T.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Polese, G.; Quertenmont, L.; Racz, A.; Reece, W.; Antunes, J. Rodrigues; Rolandi, G.; Rovelli, C.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schaefer, C.; Schwick, C.; Segoni, I.; Sekmen, S.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Worm, S. D.; Zeuner, W. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Meier, F.; Renker, D.; Rohe, T.; Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Baeni, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eugster, J.; Freudenreich, K.; Grab, C.; Hits, D.; Lecomte, P.; Lustermann, W.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Mohr, N.; Moortgat, F.; Naegeli, C.; Nef, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pape, L.; Pauss, F.; Peruzzi, M.; Ronga, F. J.; Rossini, M.; Sala, L.; Sanchez, A. K.; Starodumov, A.; Stieger, B.; Takahashi, M.; Tauscher, L.; Thea, A.; Theofilatos, K.; Treille, D.; Urscheler, C.; Wallny, R.; Weber, H. A.; Wehrli, L.] Swiss Fed Inst Technol, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; De Visscher, S.; Favaro, C.; Rikova, M. Ivova; Mejias, B. Millan; Otiougova, P.; Robmann, P.; Snoek, H.; Tupputi, S.; Verzetti, M.] Univ Zurich, Zurich, Switzerland. [Chang, Y. H.; Chen, K. H.; Kuo, C. M.; Li, S. W.; Lin, W.; Liu, Z. K.; Lu, Y. J.; Mekterovic, D.; Singh, A. P.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli, Taiwan. [Chang, Y. H.; Bartalini, P.; Chang, P.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Dietz, C.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Lu, R. -S.; Majumder, D.; Petrakou, E.; Shi, X.; Shiu, J. G.; Tzeng, Y. M.; Wan, X.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Srimanobhas, N.] Chulalongkorn Univ, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Karaman, T.; Karapinar, G.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, L. N.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Yildirim, E.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; Sonmez, N.] Bogazici Univ, Istanbul, Turkey. [Cankocak, K.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.] Kharkov Phys & Technol Inst, Natl Sci Ctr, UA-310108 Kharkov, Ukraine. [Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Frazier, R.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Kreczko, L.; Metson, S.; Newbold, D. M.; Nirunpong, K.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Worm, S. D.; Newbold, D. M.; Basso, L.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Jackson, J.; Kennedy, B. W.; Olaiya, E.; Petyt, D.; Radburn-Smith, B. C.; Shepherd-Themistocleous, C. H.; Tomalin, I. R.; Womersley, W. J.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Bainbridge, R.; Ball, G.; Beuselinck, R.; Buchmuller, O.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Bryer, A. Guneratne; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Papageorgiou, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Ryan, M. J.; Seez, C.; Sharp, P.; Sparrow, A.; Stoye, M.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.; Whyntie, T.] Univ London Imperial Coll Sci Technol & Med, London, England. [Chadwick, M.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Hatakeyama, K.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; St John, J.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Bhattacharya, S.; Alimena, J.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Nguyen, D.; Segala, M.; Sinthuprasith, T.; Speer, T.; Tsang, K. V.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Dolen, J.; Erbacher, R.; Gardner, M.; Houtz, R.; Ko, W.; Kopecky, A.; Lander, R.; Mall, O.; Miceli, T.; Pellett, D.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Smith, J.; Squires, M.; Tripathi, M.; Sierra, R. Vasquez; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Weber, M.; Andreev, V.; Felcini, M.; Cline, D.; Cousins, R.; Duris, J.; Erhan, S.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Plager, C.; Rakness, G.; Schlein, P.; Traczyk, P.; Valuev, V.] Univ Calif Los Angeles, Los Angeles, CA USA. [Liu, H.; Babb, J.; Clare, R.; Dinardo, M. E.; Ellison, J.; Gary, J. W.; Giordano, F.; Hanson, G.; Jeng, G. Y.; Long, O. R.; Luthra, A.; Nguyen, H.; Paramesvaran, S.; Sturdy, J.; Sumowidagdo, S.; Wilken, R.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Sharma, V.; Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Evans, D.; Golf, F.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Macneill, I.; Mangano, B.; Padhi, S.; Palmer, C.; Petrucciani, G.; Pieri, M.; Sani, M.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Bellan, R.; Campagnari, C.; D'Alfonso, M.; Danielson, T.; Flowers, K.; Geffert, P.; Incandela, J.; Justus, C.; Kalavase, P.; Koay, S. A.; Kovalskyi, D.; Krutelyov, V.; Lowette, S.; Mccoll, N.; Pavlunin, V.; Rebassoo, F.; Ribnik, J.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Dias, F. A.; Dubinin, M.; Apresyan, A.; Bornheim, A.; Chen, Y.; Di Marco, E.; Duarte, J.; Gataullin, M.; Ma, Y.; Mott, A.; Newman, H. B.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Veverka, J.; Wilkinson, R.; Xie, S.; Yang, Y.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Akgun, B.; Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Liu, Y. F.; Paulini, M.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Heltsley, B.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Vaughan, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bloch, I.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Green, D.; Gutsche, O.; Hanlon, J.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kilminster, B.; Klima, B.; Kunori, S.; Kwan, S.; Leonidopoulos, C.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitmore, J.; Wu, W.; Yang, F.; Yumiceva, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Chen, M.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Drozdetskiy, A.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Gartner, J.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Park, M.; Remington, R.; Rinkevicius, A.; Sellers, P.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Lebolo, L. M.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Gleyzer, S. V.; Haas, J.; Hagopian, S.; Hagopian, V.; Jenkins, M.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Vodopiyanov, I.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Anghel, I. M.; Apanasevich, L.; Bai, Y.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Callner, J.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Lacroix, F.; Malek, M.; O'Brien, C.; Silkworth, C.; Strom, D.; Turner, P.; Varelas, N.] Univ Illinois Chicago UIC, Chicago, IL USA. [Ozturk, S.; Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Duru, F.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Newsom, C. R.; Norbeck, E.; Onel, Y.; Ozok, F.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Giurgiu, G.; Gritsan, A. V.; Guo, Z. J.; Hu, G.; Maksimovic, P.; Rappoccio, S.; Swartz, M.; Whitbeck, A.] Johns Hopkins Univ, Baltimore, MD USA. [Sibille, J.; Baringer, P.; Bean, A.; Benelli, G.; Kenny, R. P., III; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Tinti, G.; Wood, J. S.; Zhukova, V.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Bolton, T.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Tricomi, A.; Baden, A.; Boutemeur, M.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kirn, M.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.; Twedt, E.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Bauer, G.; Bendavid, J.; Busza, W.; Butz, E.; Cali, I. A.; Chan, M.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Hahn, K. A.; Kim, Y.; Klute, M.; Krajczar, K.; Luckey, P. D.; Ma, T.; Nahn, S.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Rudolph, M.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Sung, K.; Velicanu, D.; Wenger, E. A.; Wolf, R.; Wyslouch, B.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.] MIT, Cambridge, MA 02139 USA. [Cooper, S. I.; Dahmes, B.; De Benedetti, A.; Franzoni, G.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Sasseville, M.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Cremaldi, L. M.; Kroeger, R.; Perera, L.; Rahmat, R.; Sanders, D. A.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Eads, M.; Keller, J.; Kravchenko, I.; Lazo-Flores, J.; Malbouisson, H.; Malik, S.; Snow, G. R.] Univ Nebraska Lincoln, Lincoln, NE USA. [Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Nash, D.; Trocino, D.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Anastassov, A.; Kubik, A.; Lusito, L.; Mucia, N.; Odell, N.; Ofierzynski, R. A.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Antonelli, L.; Berry, D.; Brinkerhoff, A.; Chan, K. M.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kolb, J.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Planer, M.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Wolf, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Bylsma, B.; Durkin, L. S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Vuosalo, C.; Williams, G.; Winer, B. L.] Ohio State Univ, Columbus, OH 43210 USA. [Adam, N.; Berry, E.; Elmer, P.; Gerbaudo, D.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Pegna, D. Lopes; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Safdi, B.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Alagoz, E.; Barnes, V. 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RI Sznajder, Andre/L-1621-2016; Haj Ahmad, Wael/E-6738-2016; Xie, Si/O-6830-2016; Leonardo, Nuno/M-6940-2016; Goh, Junghwan/Q-3720-2016; Ruiz, Alberto/E-4473-2011; Govoni, Pietro/K-9619-2016; Tuominen, Eija/A-5288-2017; Yazgan, Efe/C-4521-2014; Gerbaudo, Davide/J-4536-2012; Mundim, Luiz/A-1291-2012; Rolandi, Luigi (Gigi)/E-8563-2013; Venturi, Andrea/J-1877-2012; Zhukov, Valery/K-3615-2013; Liu, Sheng/K-2815-2013; Wimpenny, Stephen/K-8848-2013; Markina, Anastasia/E-3390-2012; Dudko, Lev/D-7127-2012; Dogangun, Oktay/L-9252-2013; Marlow, Daniel/C-9132-2014; de Jesus Damiao, Dilson/G-6218-2012; Oguri, Vitor/B-5403-2013; Montanari, Alessandro/J-2420-2012; Tomei, Thiago/E-7091-2012; Kodolova, Olga/D-7158-2012; Tinoco Mendes, Andre David/D-4314-2011; Petrushanko, Sergey/D-6880-2012; Wulz, Claudia-Elisabeth/H-5657-2011; Lokhtin, Igor/D-7004-2012; Fruhwirth, Rudolf/H-2529-2012; Zalewski, Piotr/H-7335-2013; Ivanov, Andrew/A-7982-2013; Raidal, Martti/F-4436-2012; Novaes, Sergio/D-3532-2012; Vogel, Helmut/N-8882-2014; Marinho, Franciole/N-8101-2014; Ferguson, Thomas/O-3444-2014; Benussi, Luigi/O-9684-2014; Leonidov, Andrey/P-3197-2014; Dahms, Torsten/A-8453-2015; Grandi, Claudio/B-5654-2015; Bernardes, Cesar Augusto/D-2408-2015; Calderon, Alicia/K-3658-2014; Lazzizzera, Ignazio/E-9678-2015; Sen, Sercan/C-6473-2014; vilar, rocio/P-8480-2014; Janssen, Xavier/E-1915-2013; Bartalini, Paolo/E-2512-2014; Alves, Gilvan/C-4007-2013; Ligabue, Franco/F-3432-2014; Codispoti, Giuseppe/F-6574-2014; Tinti, Gemma/I-5886-2013; Gribushin, Andrei/J-4225-2012; Cerrada, Marcos/J-6934-2014; de la Cruz, Begona/K-7552-2014; Scodellaro, Luca/K-9091-2014; Josa, Isabel/K-5184-2014; Calvo Alamillo, Enrique/L-1203-2014; Paulini, Manfred/N-7794-2014; D'Alessandro, Raffaello/F-5897-2015; Belyaev, Alexander/F-6637-2015; Stahl, Achim/E-8846-2011; Trocsanyi, Zoltan/A-5598-2009; Konecki, Marcin/G-4164-2015; Hernandez Calama, Jose Maria/H-9127-2015; My, Salvatore/I-5160-2015; Matorras, Francisco/I-4983-2015; Ragazzi, Stefano/D-2463-2009; Rovelli, Tiziano/K-4432-2015; Dremin, Igor/K-8053-2015; Hoorani, Hafeez/D-1791-2013; Leonidov, Andrey/M-4440-2013; Andreev, Vladimir/M-8665-2015; TUVE', Cristina/P-3933-2015; KIM, Tae Jeong/P-7848-2015; Arce, Pedro/L-1268-2014; Flix, Josep/G-5414-2012; Della Ricca, Giuseppe/B-6826-2013; Azarkin, Maxim/N-2578-2015; Paganoni, Marco/A-4235-2016; Kirakosyan, Martin/N-2701-2015; Gulmez, Erhan/P-9518-2015; Seixas, Joao/F-5441-2013; Vilela Pereira, Antonio/L-4142-2016 OI Sznajder, Andre/0000-0001-6998-1108; Haj Ahmad, Wael/0000-0003-1491-0446; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083; Ruiz, Alberto/0000-0002-3639-0368; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; Yazgan, Efe/0000-0001-5732-7950; Gerbaudo, Davide/0000-0002-4463-0878; Mundim, Luiz/0000-0001-9964-7805; Rolandi, Luigi (Gigi)/0000-0002-0635-274X; Wimpenny, Stephen/0000-0003-0505-4908; Dudko, Lev/0000-0002-4462-3192; Dogangun, Oktay/0000-0002-1255-2211; de Jesus Damiao, Dilson/0000-0002-3769-1680; Montanari, Alessandro/0000-0003-2748-6373; Tomei, Thiago/0000-0002-1809-5226; Tinoco Mendes, Andre David/0000-0001-5854-7699; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Ivanov, Andrew/0000-0002-9270-5643; Novaes, Sergio/0000-0003-0471-8549; Vogel, Helmut/0000-0002-6109-3023; Marinho, Franciole/0000-0002-7327-0349; Ferguson, Thomas/0000-0001-5822-3731; Benussi, Luigi/0000-0002-2363-8889; Dahms, Torsten/0000-0003-4274-5476; Grandi, Claudio/0000-0001-5998-3070; Lazzizzera, Ignazio/0000-0001-5092-7531; Sen, Sercan/0000-0001-7325-1087; Ligabue, Franco/0000-0002-1549-7107; Codispoti, Giuseppe/0000-0003-0217-7021; Cerrada, Marcos/0000-0003-0112-1691; Scodellaro, Luca/0000-0002-4974-8330; Calvo Alamillo, Enrique/0000-0002-1100-2963; Paulini, Manfred/0000-0002-6714-5787; D'Alessandro, Raffaello/0000-0001-7997-0306; Belyaev, Alexander/0000-0002-1733-4408; Stahl, Achim/0000-0002-8369-7506; Trocsanyi, Zoltan/0000-0002-2129-1279; Konecki, Marcin/0000-0001-9482-4841; Hernandez Calama, Jose Maria/0000-0001-6436-7547; My, Salvatore/0000-0002-9938-2680; Matorras, Francisco/0000-0003-4295-5668; Ragazzi, Stefano/0000-0001-8219-2074; Rovelli, Tiziano/0000-0002-9746-4842; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; Arce, Pedro/0000-0003-3009-0484; Flix, Josep/0000-0003-2688-8047; Della Ricca, Giuseppe/0000-0003-2831-6982; Paganoni, Marco/0000-0003-2461-275X; Gulmez, Erhan/0000-0002-6353-518X; Seixas, Joao/0000-0002-7531-0842; Vilela Pereira, Antonio/0000-0003-3177-4626 FU FMSR (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MES (Bulgaria); CERN; CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER [SF0690030s09]; ERDF (Estonia); Academy of Finland (Finland); MEC (Finland); HIP (Finland); CEA (France); CNRS/IN2P3 (France); BMBF (Germany); DFG (Germany); HGF (Germany); GSRT (Greece); OTKA (Hungary); NKTH (Hungary); DAE (India); DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF (Korea); WCU (Korea); LAS (Lithuania); CINVESTAV (Mexico); SEP (Mexico); UASLP-FAI (Mexico); MSI (New Zealand); PAEC (Pakistan); MSHE (Poland); NSC (Poland); FCT (Portugal); JINR (Armenia); JINR (Belarus); JINR (Georgia); JINR (Ukraine); JINR (Uzbekistan); MON (Russia); RosAtom (Russia); RAS (Russia); RFBR (Russia); MSTD (Serbia); MICINN (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); TUBITAK (Turkey); TAEK (Turkey); STFC (United Kingdom); DOE (USA); NSF (USA); CAPES (Brazil); CONACYT (Mexico) FX We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC machine. We thank the technical and administrative staff at CERN and other CMS institutes, and acknowledge support from: FMSR (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MES (Bulgaria); CERN; CAS, (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER, SF0690030s09 and ERDF (Estonia); Academy of FinlaMoST, and NSFC nd, MEC, and HIP (Finland); CEA and CNRS/IN2P3 (France); BMBF, DFG, and HGF (Germany); GSRT (Greece); OTKA and NKTH (Hungary); DAE and DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF and WCU (Korea); LAS (Lithuania); CINVESTAV, CONACYT, SEP, and UASLP-FAI (Mexico); MSI (New Zealand); PAEC (Pakistan); MSHE and NSC (Poland); FCT (Portugal); JINR (Armenia, Belarus, Georgia, Ukraine, Uzbekistan); MON, RosAtom, RAS and RFBR (Russia); MSTD (Serbia); MICINN and CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); TUBITAK and TAEK (Turkey); STFC (United Kingdom); DOE and NSF (USA). NR 41 TC 6 Z9 6 U1 4 U2 74 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD JAN PY 2013 IS 1 AR 154 DI 10.1007/JHEP01(2013)154 PG 30 WC Physics, Particles & Fields SC Physics GA 098XY UT WOS:000315583600073 ER PT J AU Zhou, YN Ding, JJ Nam, KW Yu, XQ Bak, SM Hu, EY Liu, J Bai, JM Li, H Fu, ZW Yang, XQ AF Zhou, Yong-Ning Ding, Jing-Jing Nam, Kyung-Wan Yu, Xiqian Bak, Seong-Min Hu, Enyuan Liu, Jue Bai, Jianming Li, Hong Fu, Zheng-Wen Yang, Xiao-Qing TI Phase transition behavior of NaCrO2 during sodium extraction studied by synchrotron-based X-ray diffraction and absorption spectroscopy SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID ION BATTERIES; POSITIVE ELECTRODE; CATHODE MATERIAL; IFEFFIT AB The structural evolution of layered NaCrO2 cathodes for sodium-ion batteries during charge was investigated using synchrotron-based in situ X-ray diffraction and ex situ X-ray absorption spectroscopy. Three solid solution phases with expanding 'c' and contracting 'a'/'b' lattice parameters were observed. The coordination changes of Cr and Na during sodium extraction were also studied. C1 [Zhou, Yong-Ning; Nam, Kyung-Wan; Yu, Xiqian; Bak, Seong-Min; Hu, Enyuan; Liu, Jue; Bai, Jianming; Yang, Xiao-Qing] Brookhaven Natl Lab, Upton, NY 11973 USA. [Ding, Jing-Jing; Fu, Zheng-Wen] Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China. [Li, Hong] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. RP Yang, XQ (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM zwfu@fudan.edu.cn; xyang@bnl.gov RI Li, Hong/C-4643-2008; Nam, Kyung-Wan/B-9029-2013; Zhou, Yong-Ning/I-9579-2014; Nam, Kyung-Wan/E-9063-2015; Bai, Jianming/O-5005-2015; Hu, Enyuan/D-7492-2016; Fu, Zheng-wen/I-5880-2016; Yu, Xiqian/B-5574-2014; LIU, JUE/I-8631-2016; Bak, Seong Min/J-4597-2013 OI Bak, Seong-Min/0000-0002-1626-5949; Li, Hong/0000-0002-8659-086X; Nam, Kyung-Wan/0000-0001-6278-6369; Nam, Kyung-Wan/0000-0001-6278-6369; Hu, Enyuan/0000-0002-1881-4534; Yu, Xiqian/0000-0001-8513-518X; LIU, JUE/0000-0002-4453-910X; FU U.S. Department of Energy; DE-AC02-98CH10886; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; U.S. Department of Energy, Basic Energy Science [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies under Contract no. DE-AC02-98CH10886. The use of the National Synchrotron Light Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract no. DE-AC02-98CH10886. The authors acknowledge technical support from the NSLS's beamline scientists at X11A, Dr Kaumudi Pandya. We gratefully acknowledge the help by beamline scientists Sungsik Lee and Benjamin Reinhart at 12BM of Advanced Photon Sources, supported by the U.S. Department of Energy, Basic Energy Science, under Contract no. DE-AC02-06CH11357. We also thank beamline BL14W1 of Shanghai Synchrotron Radiation Facility (SSRF). NR 23 TC 18 Z9 18 U1 12 U2 91 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 37 BP 11130 EP 11134 DI 10.1039/c3ta12282d PG 5 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 209NM UT WOS:000323765100007 ER PT J AU Baggetto, L Allcorn, E Unocic, RR Manthiram, A Veith, GM AF Baggetto, Loic Allcorn, Eric Unocic, Raymond R. Manthiram, Arumugam Veith, Gabriel M. TI Mo3Sb7 as a very fast anode material for lithium-ion and sodium-ion batteries SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID NEGATIVE ELECTRODE MATERIAL; LI-ION; HIGH-CAPACITY; THIN-FILMS; NA; STORAGE; SYSTEMS; SB AB Mo3Sb7 thin films prepared by magnetron sputtering are evaluated as an anode material for Li-ion and Na-ion batteries. The as deposited films are amorphous and composed of small agglomerated domains with an overall Sb/Mo ratio of 2.34 that is almost identical to the ratio measured for the starting powder and the expected nominal ratio of 2.33. When cycled with Li and Na, the films show large storage capacities of around 430 and 330 mA h g(-1), respectively, with good capacity retention. In addition, micron thick films retain large capacities of about 310 and 280 mA h g(-1) at very high rates of 100 and 30 C-rate currents for Li and Na, respectively. The XRD study of the changes in the structure of the electrode material reveals that Li3Sb forms at full discharge whereas the electrode at full charge is amorphous. For the reaction with Na, the electrode material remains amorphous. Analysis of the surface chemistry characterized by XPS suggests the formation of an inorganic layer (LiF, LixPOyFz) covered by organic products (carbonates, esters, ethers) in the case of Li and the formation of an organic layer only (carbonates) in the case of Na. The electrode surface is visible at full charge for Na, thereby indicating that the Solid Electrolyte Interphase (SEI) layer is thinner when cycling with Na compared to that with Li. Overall, the results highlight the very good potential of Mo3Sb7 as an anode for Li- and Na-ion batteries. C1 [Baggetto, Loic; Unocic, Raymond R.; Veith, Gabriel M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Allcorn, Eric; Manthiram, Arumugam] Univ Texas Austin, Electrochem Energy Lab, Austin, TX 78712 USA. [Allcorn, Eric; Manthiram, Arumugam] Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA. RP Baggetto, L (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM baggettol@ornl.gov; veithgm@ornl.gov RI Baggetto, Loic/D-5542-2017; OI Baggetto, Loic/0000-0002-9029-2363; Unocic, Raymond/0000-0002-1777-8228 FU U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials Sciences and Engineering Division [DE-SC0005397]; ORNL's Shared Research Equipment (ShaRE) User Program; DOE-BES FX This work was supported by the U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials Sciences and Engineering Division (work at the University of Texas at Austin under award number DE-SC0005397). Microscopy research was supported via a user project supported by ORNL's Shared Research Equipment (ShaRE) User Program, which is also supported by DOE-BES. NR 25 TC 54 Z9 54 U1 18 U2 130 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 EI 2050-7496 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 37 BP 11163 EP 11169 DI 10.1039/c3ta12040f PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 209NM UT WOS:000323765100012 ER PT J AU Christensen, AL Lohr, C Christensen, SM Stamou, D AF Christensen, Andreas L. Lohr, Christina Christensen, Sune M. Stamou, Dimitrios TI Single vesicle biochips for ultra-miniaturized nanoscale fluidics and single molecule bioscience SO LAB ON A CHIP LA English DT Review ID SUPPORTED LIPID-BILAYERS; MEMBRANE CURVATURE; PROTEIN INTERACTIONS; ENCAPSULATION EFFICIENCY; AMPHIPATHIC HELICES; MASS-SPECTROMETRY; DOCKING REACTIONS; IN-VITRO; FUSION; LIPOSOMES AB One of the major bottlenecks in the development of biochips is maintaining the structure and function of biomolecules when interfacing them with hard matter (glass, plastics, metals, etc.), a challenge that is exacerbated during miniaturization that inevitably increases the interface to volume ratio of these devices. Biochips based on immobilized vesicles circumvent this problem by encapsulating biomolecules in the protective environment of a lipid bilayer, thus minimizing interactions with hard surfaces. Here we review the development of biochips based on arrays of single nanoscale vesicles, their fabrication via controlled self-assembly, and their characterization using fluorescence microscopy. We also highlight their applications in selected fields such as nanofluidics and single molecule bioscience. Despite their great potential for improved biocompatibility, extreme miniaturization and high throughput, single vesicle biochips are still a niche technology that has yet to establish its commercial relevance. C1 [Christensen, Andreas L.; Lohr, Christina; Christensen, Sune M.; Stamou, Dimitrios] Univ Copenhagen, Dept Chem, Bionanotechnol & Nanomed Lab, DK-2100 Copenhagen, Denmark. [Christensen, Andreas L.; Lohr, Christina; Christensen, Sune M.; Stamou, Dimitrios] Univ Copenhagen, Nanosci Ctr, DK-2100 Copenhagen, Denmark. [Christensen, Andreas L.; Lohr, Christina; Christensen, Sune M.; Stamou, Dimitrios] Univ Copenhagen, Lundbeck Fdn Ctr Biomembranes Nanomed, DK-2100 Copenhagen, Denmark. [Christensen, Sune M.] Univ Calif Berkeley, Dept Chem, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Christensen, Sune M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Stamou, D (reprint author), Univ Copenhagen, Dept Chem, Bionanotechnol & Nanomed Lab, DK-2100 Copenhagen, Denmark. EM stamou@nano.ku.dk RI Stamou, Dimitrios/D-5042-2016; OI Stamou, Dimitrios/0000-0001-8456-8995; Christensen, Sune/0000-0001-9650-6660 FU Lundbeck Foundation Center for Biomembranes in Nanomedicine; Center for Pharmaceutical Nanoscience and Nanotoxicology; Danish Councils for Independent and Strategic Research; University of Copenhagen programme of excellence 'UNIK Synthetic Biology',; University of Copenhagen programme of excellence 'Single Molecule Nanoscience'; University of Copenhagen programme of excellence 'BioScaRT' FX The authors would like to acknowledge financial support from the Lundbeck Foundation Center for Biomembranes in Nanomedicine, Center for Pharmaceutical Nanoscience and Nanotoxicology, the Danish Councils for Independent and Strategic Research and the University of Copenhagen programmes of excellence 'UNIK Synthetic Biology', 'Single Molecule Nanoscience' and 'BioScaRT'. NR 99 TC 10 Z9 10 U1 2 U2 57 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2013 VL 13 IS 18 BP 3613 EP 3625 DI 10.1039/c3lc50492a PG 13 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 200ZU UT WOS:000323111300016 PM 23856986 ER PT S AU Albert, F Pollock, BB Shaw, J Marsh, KA Chen, YH Alessi, D Ralph, JE Michel, PA Pak, A Clayton, CE Glenzer, SH Joshi, C AF Albert, F. Pollock, B. B. Shaw, J. Marsh, K. A. Chen, Y. -H. Alessi, D. Ralph, J. E. Michel, P. A. Pak, A. Clayton, C. E. Glenzer, S. H. Joshi, C. BE Esarey, E Schroeder, CB Leemans, WP Ledingham, KWD Jaroszynski, DA TI Betatron x-ray production in mixed gases SO LASER ACCELERATION OF ELECTRONS, PROTONS, AND IONS II; AND MEDICAL APPLICATIONS OF LASER-GENERATED BEAMS OF PARTICLES II; AND HARNESSING RELATIVISTIC PLASMA WAVES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Acceleration of Electrons, Protons, and Ions II; and Medical Applications of Laser-Generated Beams of Particles II; and Harnessing Relativistic Plasma Waves III CY APR 15-18, 2013 CL Prague, CZECH REPUBLIC SP SPIE DE Betatron x-ray radiation; Laser-wakefield acceleration; laser-plasma interaction ID ELECTRON-BEAMS; WAKEFIELD ACCELERATOR; LASER AB Betatron x-rays with multi-keV photon energies have been observed from a GeV-class laser-plasma accelerator. The experiment was performed using the 200 TW Callisto laser system at LLNL to produce and simultaneously observe GeV-class electron beams and keV Betatron x-rays. The laser was focused with two different optics (f/8 and f/20), and into various gas cells with sizes ranging from 3 to 10 mm, and containing mixed gases (He, N, CO2, Ar, Ne) to accelerate large amounts of charge in the ionization induced trapping regime. KeV betatron x-rays were observed for various concentrations of gases. Electron spectra were measured on large image plates with the two-screen method after being deflected by a large 0.42 Tesla magnet spectrometer. Betatron oscillations observed on the electron spectra can be benchmarked against a simple analytical model (Runge-Kutta algorithm solving the equation of motion of an electron in the wakefield), in order to retrieve the electron injection conditions into the wake. C1 [Albert, F.; Pollock, B. B.; Chen, Y. -H.; Alessi, D.; Ralph, J. E.; Michel, P. A.; Pak, A.] Lawrence Livermore Natl Lab, NIF & Photon Sci, Livermore, CA 94550 USA. RP Albert, F (reprint author), Lawrence Livermore Natl Lab, NIF & Photon Sci, 700 East Ave, Livermore, CA 94550 USA. EM albert6@llnl.gov RI Michel, Pierre/J-9947-2012; Albert, Felicie/G-2645-2013 NR 32 TC 1 Z9 1 U1 3 U2 11 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9581-5 J9 PROC SPIE PY 2013 VL 8779 AR UNSP 87791Q DI 10.1117/12.2017187 PG 9 WC Engineering, Biomedical; Optics; Physics, Particles & Fields SC Engineering; Optics; Physics GA BGN03 UT WOS:000323544600033 ER PT S AU Yu, LL Esarey, E Vay, JL Schroeder, CB Benedetti, C Geddes, CGR Rykovanov, SG Bulanov, SS Chen, M Leemans, WP AF Yu, Lu-Le Esarey, Eric Vay, Jean-Luc Schroeder, Carl B. Benedetti, Carlo Geddes, Cameron G. R. Rykovanov, Sergey G. Bulanov, Stepan S. Chen, Min Leemans, Wim P. BE Esarey, E Schroeder, CB Leemans, WP Ledingham, KWD Jaroszynski, DA TI Low transverse emittance electron bunches from two-color laser-ionization injection SO LASER ACCELERATION OF ELECTRONS, PROTONS, AND IONS II; AND MEDICAL APPLICATIONS OF LASER-GENERATED BEAMS OF PARTICLES II; AND HARNESSING RELATIVISTIC PLASMA WAVES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Acceleration of Electrons, Protons, and Ions II; and Medical Applications of Laser-Generated Beams of Particles II; and Harnessing Relativistic Plasma Waves III CY APR 15-18, 2013 CL Prague, CZECH REPUBLIC SP SPIE DE two color lasers; ionization injection; laser wakefield; transverse momentum; transverse emittance ID WAKEFIELD ACCELERATOR; BEAMS; PULSES AB A method is proposed to generate low emittance electron bunches from two color laser pulses in a laser-plasma accelerator. A two-region gas structure is used, containing a short region of a high-Z gas (e.g., krypton) for ionization injection, followed by a longer region of a low-Z gas for post-acceleration. A long-laser-wavelength (e.g., 5 mu m) pump pulse excites plasma wake without triggering the inner-shell electron ionization of the high-Z gas due to low electric fields. A short-laser-wavelength (e.g., 0.4 mu m) injection pulse, located at a trapping phase of the wake, ionizes the inner-shell electrons of the high-Z gas, resulting in ionization-induced trapping. Compared with a single-pulse ionization injection, this scheme offers an order of magnitude smaller residual transverse momentum of the electron bunch, which is a result of the smaller vector potential amplitude of the injection pulse. C1 [Yu, Lu-Le; Esarey, Eric; Vay, Jean-Luc; Schroeder, Carl B.; Benedetti, Carlo; Geddes, Cameron G. R.; Rykovanov, Sergey G.; Bulanov, Stepan S.; Leemans, Wim P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Esarey, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM LuleYu@lbl.gov; EHEsarey@lbl.gov RI Chen, Min/A-9955-2010; Yu, Lule/P-2566-2015; OI Chen, Min/0000-0002-4290-9330; Schroeder, Carl/0000-0002-9610-0166 FU Office of Science, Office of High Energy Physics; U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [PHY-0935197] FX This work was supported by the Director, Office of Science, Office of High Energy Physics, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and by the National Science Foundation under Grant No. PHY-0935197. NR 29 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9581-5 J9 PROC SPIE PY 2013 VL 8779 AR UNSP 877908 DI 10.1117/12.2021089 PG 9 WC Engineering, Biomedical; Optics; Physics, Particles & Fields SC Engineering; Optics; Physics GA BGN03 UT WOS:000323544600007 ER PT J AU Li, XF Budai, JD Liu, F Howe, JY Zhang, JH Wang, XJ Gu, ZJ Sun, CJ Meltzer, RS Pan, ZW AF Li, Xufan Budai, John D. Liu, Feng Howe, Jane Y. Zhang, Jiahua Wang, Xiao-Jun Gu, Zhanjun Sun, Chengjun Meltzer, Richard S. Pan, Zhengwei TI New yellow Ba0.93Eu0.07Al2O4 phosphor for warm-white light-emitting diodes through single-emitting-center conversion SO LIGHT-SCIENCE & APPLICATIONS LA English DT Article DE luminescence; single-phosphor-conversion; warm-white light-emitting diode; yellow phosphor ID LUMINESCENCE; EU2+; TEMPERATURE; SCIENCE; LEDS AB Phosphor-converted white light-emitting diodes for indoor illumination need to be warm-white (i.e., correlated color temperature, 4000 K) with good color rendition (i.e., color rendering index >80). However, no single-phosphor, single-emitting-center-converted white light-emitting diodes can simultaneously satisfy the color temperature and rendition requirements due to the lack of sufficient red spectral component in the phosphors' emission spectrum. Here, we report a new yellow Ba0.93Eu0.07Al2O4 phosphor that has a new orthorhombic lattice structure and exhibits a broad yellow photoluminescence band with sufficient red spectral component. Warm-white emissions with correlated color temperature,4000 K and color rendering index >80 were readily achieved when combining the Ba0.93Eu0.07Al2O4 phosphor with a blue light-emitting diode (440-470 nm). This study demonstrates that warm-white light-emitting diodes with high color rendition (i.e., color rendering index >80) can be achieved based on single-phosphor, single-emitting-center conversion. C1 [Li, Xufan; Liu, Feng; Pan, Zhengwei] Univ Georgia, Coll Engn, Athens, GA 30602 USA. [Li, Xufan; Liu, Feng; Meltzer, Richard S.; Pan, Zhengwei] Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. [Budai, John D.; Howe, Jane Y.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Zhang, Jiahua] Chinese Acad Sci, Changchun Inst Opt Fine Mech & Phys, State Key Lab Luminescence & Applicat, Changchun 130033, Peoples R China. [Wang, Xiao-Jun] Georgia So Univ, Dept Phys, Statesboro, GA 30460 USA. [Gu, Zhanjun] Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China. [Sun, Chengjun] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Pan, ZW (reprint author), Univ Georgia, Coll Engn, Athens, GA 30602 USA. EM panz@uga.edu RI Gu, Zhanjun/A-7592-2013; Li, Xufan/A-8292-2013; Budai, John/R-9276-2016; OI Gu, Zhanjun/0000-0003-3717-2423; Li, Xufan/0000-0001-9814-0383; Budai, John/0000-0002-7444-1306; Pan, Zhengwei/0000-0002-3854-958X FU US National Science Foundation [DMR-0955908]; National Basic Research Programs of China (973 program) [2012CB932504]; Materials Sciences and Engineering Division, Office of Basic Energy Sciences (BES); US Department of Energy (DOE) [DE-AC02-06CH11357]; Scientific User Facilities Division of BES; Argonne National Laboratory; Oak Ridge National Laboratory's Shared Research Equipment (ShaRE) User program; Division of Scientific User Facilities of BES FX ZWP acknowledges funding by the US National Science Foundation (CAREER DMR-0955908). ZJG acknowledges support by the National Basic Research Programs of China (973 program, No. 2012CB932504). JDB was supported by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences (BES), US Department of Energy (DOE). Use of the APS beamline 11-BM-B for synchrotron X-ray powder diffraction and beamline 34-ID-E for polychromatic Laue microdiffraction was supported by the Scientific User Facilities Division of BES, US DOE. Use of the APS beamline 20-BM-B for X-ray absorption near edge structure measurement by CJS was supported by US DOE under Contract no. DE-AC02-06CH11357 with Argonne National Laboratory. The TEM characterization was sponsored by Oak Ridge National Laboratory's Shared Research Equipment (ShaRE) User program, which is sponsored by the Division of Scientific User Facilities of BES, US DOE. NR 33 TC 191 Z9 192 U1 16 U2 111 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2047-7538 J9 LIGHT-SCI APPL JI Light-Sci. Appl. PD JAN PY 2013 VL 2 AR e50 DI 10.1038/lsa.2013.6 PG 8 WC Optics SC Optics GA 218XO UT WOS:000324466200004 ER PT J AU Rehmani, I Liu, FG Liu, AM AF Rehmani, Imran Liu, Fange Liu, Aimin BE Villamena, FA TI CELL SIGNALING AND TRANSCRIPTION SO MOLECULAR BASIS OF OXIDATIVE STRESS: CHEMISTRY, MECHANISMS, AND DISEASE PATHOGENESIS LA English DT Article; Book Chapter ID HYPOXIA-INDUCIBLE-FACTOR; NF-KAPPA-B; PROTEIN-KINASE-C; VASCULAR SMOOTH-MUSCLE; IRON-SULFUR CLUSTER; HYDROGEN-PEROXIDE; ESCHERICHIA-COLI; OXIDATIVE-STRESS; NADPH OXIDASE; SUPEROXIDE-DISMUTASE C1 [Rehmani, Imran] Ctr Dis Control & Prevent, ORISE, Atlanta, GA USA. [Liu, Fange] Georgia State Univ, Atlanta, GA 30303 USA. [Liu, Aimin] Georgia State Univ, Fac Chem, Atlanta, GA 30303 USA. RP Rehmani, I (reprint author), Ctr Dis Control & Prevent, ORISE, Atlanta, GA USA. NR 167 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER, W SUSSEX PO 19 8SQ, ENGLAND BN 978-0-470-57218-4 PY 2013 BP 177 EP 199 D2 10.1002/9781118355886 PG 23 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA BGS38 UT WOS:000323972400009 ER PT B AU Theis, MA Gallagher, HL McKinley, RL Bjorn, VS AF Theis, Melissa A. Gallagher, Hilary L. McKinley, Richard L. Bjorn, Valerie S. GP ASME TI HEARING PROTECTION WITH INTEGRATED IN-EAR DOSIMETRY: A NOISE DOSE STUDY SO PROCEEDINGS OF THE ASME NOISE CONTROL AND ACOUSTICS DIVISION CONFERENCE (NCAD 2012) LA English DT Proceedings Paper CT Internoise/ASME 2012 Noise Control and Acoustics Division Conference CY AUG 19-22, 2012 CL New York, NY SP ASME, Noise Control & Acoust Div ID TEMPORARY THRESHOLD SHIFT AB Military personnel working in high noise environments can be exposed to continuous noise levels up to 150 dB. United States (US) Department of Defense (DoD) Hearing Conservation Programs (HCPs) [1-3] set safe noise exposure limits to reduce the risk for noise induced hearing loss. These daily noise exposure limits were based on ambient noise levels and the duration of time spent in that noise environment. Current dosimeters, worn on the lapel of personnel and at least one system worn under a hearing protector, were designed to measure noise levels and calculate noise dose, but do not provide a validated measure of noise dose external to or under a hearing protector. Noise dose under hearing protectors can be estimated by subtracting the real ear attenuation (REAT) data, collected in accordance with the American National Standards Institute (ANSI) S12.6 [4], at each octave band from the ambient octave band noise. This procedure gives accurate results for group data, but does not account for individual variations in effective attenuation. To address this issue, the US Naval Air Systems Command (NAVAIR) led the development of ship suitable in-ear dosimetry integrated into a hearing protector, and co-sponsored an effort executed by the Air Force Research Laboratory (AFRL) to calibrate in-ear noise dose readings. This was accomplished by conducting human noise exposure experiments, with and without hearing protection, which calculated noise dose from temporary threshold shifts (ITS) in hearing. Ten subjects participated in the study. Noise levels were 91, 94, and 97 dB for up to 2 hrs, 1 hr, and 30 minutes respectively. These exposure levels were well within US DoD safe noise exposure guidelines (DoD HCP) [1-3]. Data will be presented describing the open and occluded (protected) ear TTS response to noise dose achieved by subjects in the experiment. Preliminary findings indicate that human subject data is extremely important in developing and validating calibration factors for any type of noise dosimeter but is especially important for in-ear dosimetry. Results from this study demonstrated that the REAT noise dose estimations and the in-ear dosimetry earplugs consistently overestimated the effective noise dose received by subjects. However, more than 10 subjects are required to improve the confidence level of the estimated calibration factor. C1 [Theis, Melissa A.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. RP Theis, MA (reprint author), Oak Ridge Inst Sci & Educ, POB 117, Oak Ridge, TN 37831 USA. NR 14 TC 0 Z9 0 U1 0 U2 3 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4532-5 PY 2013 BP 237 EP 241 PG 5 WC Acoustics; Engineering, Mechanical SC Acoustics; Engineering GA BGR71 UT WOS:000323912200025 ER PT B AU Chaudhuri, A Osterhoudt, CF Sinha, DN AF Chaudhuri, Anirban Osterhoudt, Curtis F. Sinha, Dipen N. GP ASME TI DETERMINATION OF VOLUME FRACTIONS IN TWO-PHASE FLOWS FROM SOUND SPEED MEASUREMENT SO PROCEEDINGS OF THE ASME NOISE CONTROL AND ACOUSTICS DIVISION CONFERENCE (NCAD 2012) LA English DT Proceedings Paper CT Internoise/ASME 2012 Noise Control and Acoustics Division Conference CY AUG 19-22, 2012 CL New York, NY SP ASME, Noise Control & Acoust Div ID ULTRASONIC TECHNIQUE; OIL; ATTENUATION; EMULSIONS; SUSPENSIONS; CAPACITANCE; SENSOR; PROBE AB Accurate measurement of the composition of oil-water emulsions within the process environment is a challenging problem in the oil industry. Ultrasonic techniques are promising because they are non-invasive and can penetrate optically opaque mixtures. This paper presents a method of determining the volume fractions of two immiscible fluids in a homogenized two-phase flow by measuring the speed of sound through the composite fluid along with the instantaneous temperature. A linear chirp signal is transmitted through the fluid and de-chirp method is applied to calculate the sound speed in the medium. Two separate algorithms are developed by representing the composite density as (i) a linear combination of the two densities, and (ii) a non-linear fractional formulation. Both methods lead to a quadratic equation with temperature dependent coefficients, the root of which yields the volume fraction. The densities and sound speeds are calibrated at various temperatures for each fluid component, and the fitted polynomial is used in the final algorithm. We present results when the new algorithm is applied to mixtures of crude oil and process water from two different oil fields, and a comparison of our results with a Coriolis meter; the difference between mean values is less than 1%. C1 [Chaudhuri, Anirban; Osterhoudt, Curtis F.; Sinha, Dipen N.] Los Alamos Natl Lab, Sensors & Electrochem Devices MPA 11, Los Alamos, NM 87545 USA. RP Chaudhuri, A (reprint author), Los Alamos Natl Lab, Sensors & Electrochem Devices MPA 11, POB 1663,MS D429, Los Alamos, NM 87545 USA. EM anirban@lanl.gov NR 26 TC 0 Z9 0 U1 1 U2 4 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4532-5 PY 2013 BP 559 EP 567 PG 9 WC Acoustics; Engineering, Mechanical SC Acoustics; Engineering GA BGR71 UT WOS:000323912200061 ER PT J AU Verhelst, S Demuynck, J Sierens, R Scarcelli, R Matthias, NS Wallner, T AF Verhelst, Sebastian Demuynck, Joachim Sierens, Roger Scarcelli, Riccardo Matthias, Nicholas S. Wallner, Thomas BE Gandia, LM Arzamendi, G Dieguez, PM TI Update on the Progress of Hydrogen-Fueled Internal Combustion Engines SO RENEWABLE HYDROGEN TECHNOLOGIES: PRODUCTION, PURIFICATION, STORAGE, APPLICATIONS AND SAFETY LA English DT Article; Book Chapter ID THERMAL EFFICIENCY; AIR MIXTURES C1 [Verhelst, Sebastian; Demuynck, Joachim; Sierens, Roger] Univ Ghent, Dept Flow Heat & Combust Mech, B-9000 Ghent, Belgium. [Scarcelli, Riccardo; Matthias, Nicholas S.; Wallner, Thomas] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Verhelst, S (reprint author), Univ Ghent, Dept Flow Heat & Combust Mech, Sint Pietersnieuwstr 41, B-9000 Ghent, Belgium. RI Demuynck, Joachim/N-8696-2015; OI Demuynck, Joachim/0000-0002-4204-3178; Verhelst, Sebastian/0000-0003-2421-580X NR 46 TC 4 Z9 4 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-444-56361-3 PY 2013 BP 381 EP 400 DI 10.1016/B978-0-444-56352-1.00016-7 PG 20 WC Energy & Fuels SC Energy & Fuels GA BGL54 UT WOS:000323420400017 ER PT S AU Palmer Jeremy, A Boerner, JJ Hughes, TP Bennett, GR AF Palmer, Jeremy A. Boerner, Jeremiah J. Hughes, Thomas P. Bennett, Guy R. BE Pham, KD Cox, JL Howard, RT Chen, G TI Engineered plasma interactions for geomagnetic propulsion of ultra small satellites SO SENSORS AND SYSTEMS FOR SPACE APPLICATIONS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Sensors and Systems for Space Applications VI CY APR 29-MAY 01, 2013 CL Baltimore, MD SP SPIE DE Charge; Lorentz force; propulsion; satellite ID SECONDARY-ELECTRON EMISSION; IMMERSION ION-IMPLANTATION; SPACECRAFT; SURFACES; MODEL; COEFFICIENT; IONOSPHERE; COLLECTION; SHEATHS; FILMS AB Previous astrophysical studies have explained the orbital dynamics of particles that acquire a high electrostatic charge. In low Earth orbit, the charge collected by a microscopic particle or an ultra-small, low-mass satellite interacts with the geomagnetic field to induce the Lorentz force which, in the ideal case, may be exploited as a form of propellantless propulsion. Efficient mechanisms for negative and positive electrostatic charging of a so-called attosatellite are proposed considering material, geometry, and emission interactions with the ionosphere's neutral plasma with characteristic Debye length. A novel model-based plasma physics study was undertaken to optimize the positive charge mechanism quantified by the system charge-to-mass ratio. In the context of the practical system design considered, a positive charge-to-mass ratio on the order of 1.9x10(-9) C/kg is possible with maximum spacecraft potential equal to the sum of the kinetic energy of electrons from active field emission (+43V) and less than +5V from passive elements. The maximum positive potential is less than what is possible with negative electrostatic charging due to differences in thermal velocity and number density of electronic and ionic species. These insights are the foundation of a practical system design. C1 [Palmer, Jeremy A.] Syst Planning Corp, 3601 Wilson Blvd, Arlington, VA 22201 USA. [Palmer, Jeremy A.; Boerner, Jeremiah J.; Hughes, Thomas P.; Bennett, Guy R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Palmer Jeremy, A (reprint author), Syst Planning Corp, 3601 Wilson Blvd, Arlington, VA 22201 USA. EM jpalmer@sysplan.com FU [DE-AC04-94AL85000] FX The authors acknowledge the Center for Integrated Nanotechnologies (CINT) and the Sandia National Laboratories Council of Senior Scientists for their generous support of this work. In addition, the authors thank Drs. Greg Hebner, Paul Miller, Ed Barnat, Dan Barton, Elshan Akhadov, Sean Hearne, and lastly Dr. Mason Peck and his research group in the Department of Mechanical and Aerospace Engineering at Cornell University for their guidance. 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 Energys National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 40 TC 0 Z9 0 U1 2 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9530-3 J9 PROC SPIE PY 2013 VL 8739 AR UNSP 87390X DI 10.1117/12.2010789 PG 10 WC Engineering, Aerospace; Remote Sensing; Optics SC Engineering; Remote Sensing; Optics GA BGN20 UT WOS:000323553200029 ER PT J AU Guthrie, MA AF Guthrie, Michael A. TI An energy-based limit state function for estimation of structural reliability in shock environments SO SHOCK AND VIBRATION LA English DT Article DE Shock; structural reliability; limit state function AB A limit state function is developed for the estimation of structural reliability in shock environments. This limit state function uses peak modal strain energies to characterize environmental severity and modal strain energies at failure to characterize the structural capacity. The Hasofer-Lind reliability index is briefly reviewed and its computation for the energy-based limit state function is discussed. Applications to two degree of freedom mass-spring systems and to a simple finite element model are considered. For these examples, computation of the reliability index requires little effort beyond a modal analysis, but still accounts for relevant uncertainties in both the structure and environment. For both examples, the reliability index is observed to agree well with the results of Monte Carlo analysis. In situations where fast, qualitative comparison of several candidate designs is required, the reliability index based on the proposed limit state function provides an attractive metric which can be used to compare and control reliability. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Guthrie, MA (reprint author), Sandia Natl Labs, Org 1523,MS 0346,POB 5800, Albuquerque, NM 87185 USA. EM maguthr@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] 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 U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The author would also like to acknowledge the important contributions of Tim Edwards to this work, both in developing the energy-based characterization of shock and vibration environments and in encouraging its extension to the prediction of structural reliability. NR 10 TC 0 Z9 0 U1 0 U2 1 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 1070-9622 J9 SHOCK VIB JI Shock Vib. PY 2013 VL 20 IS 5 BP 933 EP 950 DI 10.3233/SAV-130795 PG 18 WC Acoustics; Engineering, Mechanical; Mechanics SC Acoustics; Engineering; Mechanics GA 216ED UT WOS:000324263500008 ER PT J AU Solis, KJ Martin, JE AF Solis, Kyle J. Martin, James E. TI Multiaxial fields drive the thermal conductivity switching of a magneto-responsive platelet suspension SO SOFT MATTER LA English DT Article ID STRUCTURED COMPOSITES AB We demonstrate the ability to change the thermal conductivity of a magnetic platelet suspension from insulating to conducting by using either uniaxial or multiaxial ac magnetic fields to control the suspension structure and dynamics. The equivalent thermal conductivity of the suspension can be modified either by creating static particle structures that facilitate or block heat transfer, or by using multiaxial ac fields to drive emergent particle dynamics that create vigorous, organized, non-contact flow. The equivalent thermal conductivity of a single suspension can be varied over a 100-fold range, and an equivalent thermal conductivity as high as 18.3 W m(-1) K-1 has been achieved in an aqueous suspension containing only 2.0 vol% platelets. This value is more than twice the conductivity of liquid mercury. C1 [Solis, Kyle J.; Martin, James E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Martin, JE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM kjsolis@sandia.gov; jmartin@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Division of Materials Science, Office of Basic Energy Sciences, U.S. Department of Energy (DOE) 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 U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This work was supported by the Division of Materials Science, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). We thank Vladimir Raksha, Paul Coombs, Tom Markantes, Bill Kittler, and Kees-Jan Delst at JDSU and Matt Groo at Novamet for supplying the magnetic platelets. NR 24 TC 4 Z9 4 U1 1 U2 8 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 38 BP 9182 EP 9188 DI 10.1039/c3sm50820j PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 218HP UT WOS:000324423700017 ER PT S AU Taylor, SG Farinholt, KM Park, G Farrar, CR Todd, MD Lee, JR AF Taylor, Stuart G. Farinholt, Kevin M. Park, Gyuhae Farrar, Charles R. Todd, Michael D. Lee, Jung-Ryul BE Chiu, WK Galea, SC TI Structural health monitoring of research-scale wind turbine blades SO STRUCTURAL HEALTH MONITORING: RESEARCH AND APPLICATIONS SE Key Engineering Materials LA English DT Proceedings Paper CT 4th Asia-Pacific Workshop on Structural Health Monitoring CY DEC 05-07, 2012 CL Melbourne, AUSTRALIA SP Defence Sci & Technol Org, Dept Mech & Aerosp Engn, Monash Univ, USN Off Naval Res Global, USAF, Asian Off Aerosp Res & Dev, Embraer, Polytec & Warsash Sci, Cooperat Res Ctr Adv Composite Structures DE Structural Health Monitoring; wind energy; fatigue crack; embedded sensing; multi-scale sensing; composite structures; wind turbine blade AB This paper presents ongoing work by the authors to implement real-time structural health monitoring (SHIM) systems for operational research-scale wind turbine blades. The authors have been investigating and assessing the performance of several techniques for SHIM of wind turbine blades using piezoelectric active sensors. Following a series of laboratory vibration and fatigue tests, these techniques are being implemented using embedded systems developed by the authors. These embedded systems are being deployed on operating wind turbine platforms, including a 20-meter rotor diameter turbine, located in Bushland, TX, and a 4.5-meter rotor diameter turbine, located in Los Alamos, NM. The SHIM approach includes measurements over multiple frequency ranges, in which diffuse ultrasonic waves are excited and recorded using an active sensing system, and the blade's global ambient vibration response is recorded using a passive sensing system. These dual measurement types provide a means of correlating the effect of potential damage to changes in the global structural behavior of the blade. In order to provide a backdrop for the sensors and systems currently installed in the field, recent damage detection results for laboratory-based wind turbine blade experiments are reviewed. Our recent and ongoing experimental platforms for field tests are described, and experimental results from these field tests are presented. LA-UR-12-24691. C1 [Taylor, Stuart G.; Farrar, Charles R.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM USA. RP Taylor, SG (reprint author), Los Alamos Natl Lab, Engn Inst, Los Alamos, NM USA. EM sgtaylor@lanl.gov; kevin.farinholt@ccam-va.com; gpark@jnu.ac.kr; farrar@lanl.gov; mdt@ucsd.edu; leejrr@jbnu.ac.kr OI Farrar, Charles/0000-0001-6533-6996 NR 8 TC 2 Z9 2 U1 0 U2 9 PU TRANS TECH PUBLICATIONS LTD PI STAFA-ZURICH PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND SN 1013-9826 J9 KEY ENG MATER PY 2013 VL 558 BP 364 EP 373 DI 10.4028/www.scientific.net/KEM.558.364 PG 10 WC Engineering, Civil; Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BGL39 UT WOS:000323396400038 ER PT J AU Guimaraes, JC Liu, CC Arkin, AP AF Guimaraes, Joao C. Liu, Chang C. Arkin, Adam P. BE Zhao, H TI From Biological Parts to Circuit Design SO SYNTHETIC BIOLOGY: TOOLS AND APPLICATIONS LA English DT Article; Book Chapter ID SYNTHETIC BIOLOGY; GENE-EXPRESSION; TRANSCRIPTIONAL REGULATORS; DIRECTED EVOLUTION; PROGRAMMING CELLS; ESCHERICHIA-COLI; RNA DEVICES; CONSTRUCTION; SEQUENCE; SYSTEMS C1 [Guimaraes, Joao C.; Liu, Chang C.; Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Guimaraes, Joao C.] Univ Minho, Dept Informat CCTC, Braga, Portugal. [Liu, Chang C.] Miller Inst Basic Res Sci, Berkeley, CA USA. [Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Guimaraes, JC (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RI Guimaraes, Joao/A-8572-2012; Arkin, Adam/A-6751-2008 OI Guimaraes, Joao/0000-0002-1664-472X; Arkin, Adam/0000-0002-4999-2931 NR 59 TC 1 Z9 1 U1 0 U2 1 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA BN 978-0-12-397820-2 PY 2013 BP 63 EP 78 DI 10.1016/B978-0-12-394430-6.00004-2 PG 16 WC Biochemistry & Molecular Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Genetics & Heredity GA BGQ76 UT WOS:000323824500005 ER PT J AU Bokinsky, G Groff, D Keasling, J AF Bokinsky, Gregory Groff, Dan Keasling, Jay BE Zhao, H TI Synthetic Biology of Microbial Biofuel Production: From Enzymes to Pathways to Organisms SO SYNTHETIC BIOLOGY: TOOLS AND APPLICATIONS LA English DT Article; Book Chapter ID ENGINEERED ESCHERICHIA-COLI; SYSTEMS BIOLOGY; PROTEIN; EXPRESSION; ACID; PROMOTERS; CHEMICALS; MECHANISM; BIOMASS; DESIGN C1 [Bokinsky, Gregory; Groff, Dan; Keasling, Jay] Joint BioEnergy Inst, Emeryville, CA USA. [Keasling, Jay] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Bokinsky, G (reprint author), Joint BioEnergy Inst, Emeryville, CA USA. RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 NR 81 TC 0 Z9 0 U1 2 U2 17 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA BN 978-0-12-397820-2 PY 2013 BP 207 EP 223 DI 10.1016/B978-0-12-394430-6.00011-X PG 17 WC Biochemistry & Molecular Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Genetics & Heredity GA BGQ76 UT WOS:000323824500012 ER PT J AU Bengtsson, L Schwartz, SE AF Bengtsson, Lennart Schwartz, Stephen E. TI Determination of a lower bound on Earth's climate sensitivity SO TELLUS SERIES B-CHEMICAL AND PHYSICAL METEOROLOGY LA English DT Article DE climate sensitivity; forcing; temperature change; ocean heat uptake; greenhouse gases; aerosols ID MIXED GREENHOUSE GASES; LONG-TERM TRENDS; AEROSOL RETRIEVALS; OCEAN; MODELS; ENERGY; TEMPERATURE; BUDGET; WELL; SIMULATIONS AB Transient and equilibrium sensitivity of Earth's climate has been calculated using global temperature, forcing and heating rate data for the period 1970-2010. We have assumed increased long-wave radiative forcing in the period due to the increase of the long-lived greenhouse gases. By assuming the change in aerosol forcing in the period to be zero, we calculate what we consider to be lower bounds to these sensitivities, as the magnitude of the negative aerosol forcing is unlikely to have diminished in this period. The radiation imbalance necessary to calculate equilibrium sensitivity is estimated from the rate of ocean heat accumulation as 0.37 +/- 0.03W m(-2) (all uncertainty estimates are 1 - sigma). With these data, we obtain best estimates for transient climate sensitivity 0.39 +/- 0.07K (W m(-2))(-1) and equilibrium climate sensitivity 0.54 +/- 0.14K (W m(-2))(-1), equivalent to 1.5 +/- 0.3 and 2.0 +/- 0.5K (3.7W m(-2))(-1), respectively. The latter quantity is equal to the lower bound of the 'likely' range for this quantity given by the 2007 IPCC Assessment Report. The uncertainty attached to the lower-bound equilibrium sensitivity permits us to state, within the assumptions of this analysis, that the equilibrium sensitivity is greater than 0.31K (Wm(-2))(-1), equivalent to 1.16K(3.7Wm(-2))(-1), at the 95% confidence level. C1 [Bengtsson, Lennart] Univ Reading, Environm Syst Sci Ctr, Reading, West Berkshire, England. [Schwartz, Stephen E.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. RP Bengtsson, L (reprint author), Univ Reading, Environm Syst Sci Ctr, Reading, West Berkshire, England. EM lennart.bengtsson@zmaw.de RI Schwartz, Stephen/C-2729-2008 OI Schwartz, Stephen/0000-0001-6288-310X FU US Department of Energy's Atmospheric System Research Program (Office of Science, OBER) [DE-AC02-98CH10886] FX SES was supported by the US Department of Energy's Atmospheric System Research Program (Office of Science, OBER) under Contract No. DE-AC02-98CH10886. NR 73 TC 7 Z9 7 U1 2 U2 32 PU CO-ACTION PUBLISHING PI JARFALLA PA RIPVAGEN 7, JARFALLA, SE-175 64, SWEDEN SN 0280-6509 EI 1600-0889 J9 TELLUS B JI Tellus Ser. B-Chem. Phys. Meteorol. PY 2013 VL 65 AR 21533 DI 10.3402/tellusb.v65i0.21533 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 216RG UT WOS:000324301100001 ER PT S AU Walker, CA AF Walker, C. A. BE Sekulic, DP TI Metal-nonmetal brazing for electrical, packaging and structural applications SO ADVANCES IN BRAZING: SCIENCE, TECHNOLOGY AND APPLICATIONS SE Woodhead Publishing Series in Welding and Other Joining Technologies LA English DT Article; Book Chapter DE metal-nonmetal brazing; active brazing alloys; brazed tensile strength; metal-ceramic brazing; niobium-sapphire brazing ID ALUMINA AB Metal-nonmetal brazing is an established joining method used to fabricate products such as hermetic electronic packages, insulators for power generation and turbo-machinery components. Brazing presents opportunities for the materials engineer seeking to utilize recently engineered materials in advanced applications and extreme environments. Three commonly used brazing methods used for joining metals to nonmetals will be discussed: conventional brazing methods that use metallization coatings on the nonmetal surface to be brazed; active brazing methods that eliminate the need for metallization coatings; and direct brazing methods utilizing conventional brazing filler metals to join and seal packages without prior metallization. C1 Sandia Natl Labs, Met & Mat Joining Dept, Albuquerque, NM 87185 USA. RP Walker, CA (reprint author), Sandia Natl Labs, Met & Mat Joining Dept, POB 8500 MS-0959, Albuquerque, NM 87185 USA. EM cawalke@sandia.gov NR 33 TC 1 Z9 1 U1 2 U2 3 PU WOODHEAD PUBL LTD PI CAMBRIDGE PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND SN 2052-5532 BN 978-0-85709-650-0 J9 WOODH PUBL SER WELD PY 2013 IS 80 BP 498 EP 524 DI 10.1533/9780857096500.3.498 D2 10.1533/9780857096500 PG 27 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BGH69 UT WOS:000323033400017 ER PT J AU Vagnini, MT Mara, MW Harpham, MR Huang, J Shelby, ML Chen, LX Wasielewski, MR AF Vagnini, Michael T. Mara, Michael W. Harpham, Michael R. Huang, Jier Shelby, Megan L. Chen, Lin X. Wasielewski, Michael R. TI Interrogating the photogenerated Ir(IV) state of a water oxidation catalyst using ultrafast optical and X-ray absorption spectroscopy SO CHEMICAL SCIENCE LA English DT Article ID MONONUCLEAR RUTHENIUM COMPLEXES; PHOTOINDUCED ELECTRON-TRANSFER; TRANSIENT MOLECULAR-STRUCTURES; O BOND FORMATION; C-H ACTIVATION; ARTIFICIAL PHOTOSYNTHESIS; CHARGE SEPARATION; IRIDIUM COMPLEXES; FUNCTIONAL-MODEL; PHOTOSYSTEM-II AB Using sunlight to drive molecular water oxidation catalysts for fuel formation requires understanding the single electron transfer events involved in catalyst activation. In an effort to photogenerate and characterize the highly reactive Ir(IV) state of the Ir(III)-based water oxidation catalyst Cp*Ir(ppy)Cl (ppy = 2-phenylpyridine), we have incorporated the complex into a covalent electron acceptor-chromophore-Cp*Ir(ppy)Cl triad, in which naphthalene-1,8:4,5-bis(dicarboximide) (NDI) is the electron acceptor and perylene-3,4-dicarboximide (PMI) is the chromophore. Photoexcitation of the PMI chromophore in dichloromethane results in two competitive reactions: NDI-(1)*PMI-Ir(III) -> NDI-PMI center dot 1-Ir(IV) and NDI-(1)*PMI-Ir(III) -> NDI center dot--PMI center dot+-Ir(III) that each proceed with tau < 5 ps, as determined by femtosecond transient absorption spectroscopy. Both intermediate ion pairs undergo charge shift reactions to produce NDI center dot--PMI-Ir(IV). The fully charge-separated ion pair has a lifetime of 17.2 +/- 0.1 ns, and its photophysical behavior is similar in the more polar solvent benzonitrile. Time-resolved X-ray absorption measurements on the triad at 100 ps following PMI photoexcitation show a new absorption feature at the L-III-edge of Ir and a blue-shifted white-line peak, which provides direct evidence of a change in the Ir oxidation state from Ir(III) to Ir(IV), consistent with the photophysical measurements. Our work underscores the utility of ultrafast spectroscopy performed on covalent assemblies of electron donor-acceptor systems with solar fuels catalysts to generate and probe their higher valence states in ways that complement chemical or electrochemical oxidation and establish the nature of key intermediates implicated in their catalytic mechanisms. C1 [Vagnini, Michael T.; Mara, Michael W.; Shelby, Megan L.; Chen, Lin X.; Wasielewski, Michael R.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Vagnini, Michael T.; Mara, Michael W.; Shelby, Megan L.; Chen, Lin X.; Wasielewski, Michael R.] Northwestern Univ, Argonne Northwest Solar Energy Res ANSER Ctr, Evanston, IL 60208 USA. [Mara, Michael W.; Harpham, Michael R.; Huang, Jier; Shelby, Megan L.; Chen, Lin X.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Wasielewski, MR (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM m-wasielewski@northwestern.edu FU ANSER Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001059]; NSF Graduate Research Fellowship; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This material is based upon work supported as part of the ANSER Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001059. M.T.V. acknowledges support from an NSF Graduate Research Fellowship. We thank Dr Ryan Young for assistance with the femtosecond transient absorption measurements and Dr Xiaoyi Zhang for her assistance with the X-ray beamline operation. We also thank Profs Gary Brudvig and Robert Crabtree, Dr James Blakemore, and Ms Julianne Thomsen, all of Yale University, for stimulating discussions of this problem. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract no. DE-AC02-06CH11357. NR 66 TC 15 Z9 15 U1 7 U2 50 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 J9 CHEM SCI JI Chem. Sci. PY 2013 VL 4 IS 10 BP 3863 EP 3873 DI 10.1039/c3sc51511g PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 210ON UT WOS:000323843500011 ER PT J AU Nippe, M Khnayzer, RS Panetier, JA Zee, DZ Olaiya, BS Head-Gordon, M Chang, CJ Castellano, FN Long, JR AF Nippe, Michael Khnayzer, Rony S. Panetier, Julien A. Zee, David Z. Olaiya, Babatunde S. Head-Gordon, Martin Chang, Christopher J. Castellano, Felix N. Long, Jeffrey R. TI Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe SO CHEMICAL SCIENCE LA English DT Article ID ELECTROCATALYTIC HYDROGEN EVOLUTION; CONTINUOUS SYMMETRY MEASURES; COBALT-DITHIOLENE COMPLEXES; MOLYBDENUM-OXO CATALYST; VISIBLE-LIGHT; HOMOGENEOUS CATALYSIS; ELECTRON-TRANSFER; PHOTO-REDUCTION; WATER REDUCTION; H-2 EVOLUTION AB A new pentadentate, redox-active ligand bpy2PYMe has been synthesized and its corresponding transition metal complexes of Fe2+ (1), Co2+ (2), Ni2+ (3), Cu2+ (4), and Zn2+ (5) have been investigated for electro- and photo-catalytic proton reduction in acetonitrile and water, respectively. Under weak acid conditions, the Co complex displays catalytic onset at potentials similar to those of the ligand centered reductions in the absence of acid. Related Co complexes devoid of ligand redox activity catalyze H2 evolution under similar conditions at significantly higher overpotentials, showcasing the beneficial effect of combining ligand-centered redox activity with a redox-active Co center. Furthermore, turnover numbers as high as 1630 could be obtained under aqueous photocatalytic conditions using [Ru(bpy)(3)](2+) as a photosensitizer. Under those conditions catalytic hydrogen production was solely limited by photosensitizer stability. Introduction of an electron withdrawing CF3 group into the pyridine moiety of the ligand as in bpy2PYMe-CF3 renders its corresponding Co complex 6 less active for proton reduction in electro- and photocatalytic experiments. This surprising effect of ligand substitution was investigated by means of density functional theory calculations which suggest the importance of electronic communication between Co1+ and the redox-active ligand. Taken together, the results provide a path forward in the design of robust molecular catalysts in aqueous media with minimized overpotential by exploiting the synergy between redox-active metal and ligand components. C1 [Nippe, Michael; Panetier, Julien A.; Zee, David Z.; Head-Gordon, Martin; Chang, Christopher J.; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Nippe, Michael; Panetier, Julien A.; Zee, David Z.; Long, Jeffrey R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Nippe, Michael; Panetier, Julien A.; Zee, David Z.; Head-Gordon, Martin; Chang, Christopher J.; Long, Jeffrey R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Khnayzer, Rony S.; Olaiya, Babatunde S.; Castellano, Felix N.] Bowling Green State Univ, Dept Chem, Bowling Green, OH 43403 USA. [Khnayzer, Rony S.; Olaiya, Babatunde S.; Castellano, Felix N.] Bowling Green State Univ, Ctr Photochem Sci, Bowling Green, OH 43403 USA. [Chang, Christopher J.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Chang, Christopher J.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. RP Chang, CJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM chrischang@berkeley.edu; castell@bgsu.edu; jrlong@berkeley.edu RI Nippe, Michael/A-6222-2015; OI Nippe, Michael/0000-0003-1091-4677; Khnayzer, Rony/0000-0001-7775-0027; Panetier, Julien/0000-0003-4905-8396; Castellano, Felix/0000-0001-7546-8618 FU Office of Science of the U.S. Department of Energy [DE-SC0004993]; DOE/LBL grant [403801]; McMaster fellowship; National Science Foundation FX Catalyst development and characterization and DFT calculations are based upon work performed at the Joint Center for Artificial Photosynthesis, a DOE Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award Number DE-SC0004993. Photocatalytic experiments were carried out at BGSU under support from the National Science Foundation (CHE-1012487). Prof. Stefan Bernhard is acknowledged for his assistance with the combinatorial photoreactor design. C.J.C. is an Investigator with the Howard Hughes Medical Institute and his contributions were supported by DOE/LBL grant 403801. R.S.K. was funded by a McMaster fellowship. D.Z.Z. thanks the National Science Foundation for a predoctoral fellowship. NR 112 TC 64 Z9 64 U1 10 U2 123 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 EI 2041-6539 J9 CHEM SCI JI Chem. Sci. PY 2013 VL 4 IS 10 BP 3934 EP 3945 DI 10.1039/c3sc51660a PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 210ON UT WOS:000323843500021 ER PT J AU Kanady, JS Tran, R Stull, JA Lu, L Stich, TA Day, MW Yano, J Britt, RD Agapie, T AF Kanady, Jacob S. Rosalie Tran Stull, Jamie A. Lu, Luo Stich, Troy A. Day, Michael W. Yano, Junko Britt, R. David Agapie, Theodor TI Role of oxido incorporation and ligand lability in expanding redox accessibility of structurally related Mn-4 clusters SO CHEMICAL SCIENCE LA English DT Article ID PHOTOSYNTHETIC WATER OXIDATION; OXYGEN-EVOLVING COMPLEX; TETRANUCLEAR MANGANESE COMPLEXES; PHOTOSYSTEM-II MEMBRANES; 2-PYRIDYL KETONE OXIME; RAY CRYSTAL-STRUCTURE; OXIDIZING COMPLEX; D1 POLYPEPTIDE; CARBOXYLATE CHEMISTRY; EVOLUTION ACTIVITY AB Photosystem II supports four manganese centers through nine oxidation states from manganese(II) during assembly through to the most oxidized state before O-2 formation and release. The protein-based carboxylate and imidazole ligands allow for significant changes of the coordination environment during the incorporation of hydroxido and oxido ligands upon oxidation of the metal centers. We report the synthesis and characterization of a series of tetramanganese complexes in four of the six oxidation states from (Mn3MnIII)-Mn-II to (Mn2Mn2IV)-Mn-III with the same ligand framework (L) by incorporating four oxido ligands. A 1,3,5-triarylbenzene framework appended with six pyridyl and three alkoxy groups was utilized along with three acetate anions to access tetramanganese complexes, Mn4Ox, with x = 1, 2, 3, and 4. Alongside two previously reported complexes, four new clusters in various states were isolated and characterized by crystallography, and four were observed electrochemically, thus accessing the eight oxidation states from Mn-4(II) to (MnMn3IV)-Mn-III. This structurally related series of compounds was characterized by EXAFS, XANES, EPR, magnetism, and cyclic voltammetry. Similar to the ligands in the active site of the protein, the ancillary ligand (L) is preserved throughout the series and changes its binding mode between the low and high oxido-content clusters. Implications for the rational assembly and properties of high oxidation state metal-oxido clusters are presented. C1 [Kanady, Jacob S.; Day, Michael W.; Agapie, Theodor] CALTECH, Dept Chem & Chem Engn, Pasadena, CA 91125 USA. [Rosalie Tran; Yano, Junko] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Britt, R. David] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Yano, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM agapie@caltech.edu FU California Institute of Technology; Searle Scholars Program; NSF CAREER [CHE-1151918]; Rose Hill Foundation; NSF GRFP; NSF CRIF:MU - Caltech [CHE-0639094]; Molecular Observatory at Caltech; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-FG02-11ER16282]; Office of Biological and Environmental Research - Stanford University; NIH, NIGMS [P41GM103393]; NCRR [P41RR001209]; NIH [F32GM100595]; Office of Basic Energy Science, Division of Chemical Sciences, Geosciences, and Biosciences, DOE [DE-AC02-05CH11231] FX We are grateful to California Institute of Technology, the Searle Scholars Program, an NSF CAREER (CHE-1151918) award (TA), the Rose Hill Foundation, and the NSF GRFP (J.S.K.) for funding. We thank L. M. Henling for assistance with crystallography. The Bruker KAPPA APEXII X-ray diffractometer was purchased via an NSF CRIF:MU award to Caltech (CHE-0639094). We acknowledge the Gordon and Betty Moore Foundation, the Beckman Institute, and the Sanofi-Aventis BRP for their support of the Molecular Observatory at Caltech. The work carried out by RDB was funded by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U. S. Department of Energy (DE-FG02-11ER16282). SSRL is operated by Stanford University for the DOE and supported by its Office of Biological and Environmental Research, and by the NIH, NIGMS (including P41GM103393) and the NCRR (P41RR001209). X-ray spectroscopy studies were supported by the NIH (F32GM100595 to R.T.) and by the Director of the Office of Basic Energy Science, Division of Chemical Sciences, Geosciences, and Biosciences, DOE (DE-AC02-05CH11231 to J.Y.). NR 82 TC 17 Z9 17 U1 2 U2 44 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2041-6520 EI 2041-6539 J9 CHEM SCI JI Chem. Sci. PY 2013 VL 4 IS 10 BP 3986 EP 3996 DI 10.1039/c3sc51406d PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 210ON UT WOS:000323843500027 PM 24163730 ER PT J AU Lucas, DD Klein, R Tannahill, J Ivanova, D Brandon, S Domyancic, D Zhang, Y AF Lucas, D. D. Klein, R. Tannahill, J. Ivanova, D. Brandon, S. Domyancic, D. Zhang, Y. TI Failure analysis of parameter-induced simulation crashes in climate models SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID ANISOTROPIC HORIZONTAL VISCOSITY; SENSITIVITY-ANALYSIS; UNCERTAINTY ANALYSIS; POLYNOMIAL CHAOS; BOUNDARY-LAYER; CIRCULATION; ENSEMBLE; VERIFICATION; SYSTEMS AB Simulations using IPCC (Intergovernmental Panel on Climate Change)-class climate models are subject to fail or crash for a variety of reasons. Quantitative analysis of the failures can yield useful insights to better understand and improve the models. During the course of uncertainty quantification (UQ) ensemble simulations to assess the effects of ocean model parameter uncertainties on climate simulations, we experienced a series of simulation crashes within the Parallel Ocean Program (POP2) component of the Community Climate System Model (CCSM4). About 8.5% of our CCSM4 simulations failed for numerical reasons at combinations of POP2 parameter values. We applied support vector machine (SVM) classification from machine learning to quantify and predict the probability of failure as a function of the values of 18 POP2 parameters. A committee of SVM classifiers readily predicted model failures in an independent validation ensemble, as assessed by the area under the receiver operating characteristic (ROC) curve metric (AUC > 0.96). The causes of the simulation failures were determined through a global sensitivity analysis. Combinations of 8 parameters related to ocean mixing and viscosity from three different POP2 parameterizations were the major sources of the failures. This information can be used to improve POP2 and CCSM4 by incorporating correlations across the relevant parameters. Our method can also be used to quantify, predict, and understand simulation crashes in other complex geoscientific models. C1 [Lucas, D. D.; Klein, R.; Tannahill, J.; Ivanova, D.; Brandon, S.; Domyancic, D.; Zhang, Y.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Klein, R.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. RP Lucas, DD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM ddlucas@alum.mit.edu RI Zhang, Yuying/H-5011-2012 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; LLNL's Uncertainty Quantification Strategic Initiative Laboratory Directed Research and Development Project [10-SI-013]; UCRL [LLNL-JRNL-608873]; DOE Office of Science FX Computing support for this work came from the Lawrence Livermore National Laboratory (LLNL) Institutional Computing Grand Challenge program. We thank G. Danabasoglu, M. Jochum, and R. Tokmakian for recommending the ocean model parameters and their uncertainty ranges. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, was funded by LLNL's Uncertainty Quantification Strategic Initiative Laboratory Directed Research and Development Project under tracking code 10-SI-013, and is released under UCRL number LLNL-JRNL-608873. D. D. L. also received support from the DOE Office of Science through the Scientific Discovery Through Advanced Computing (SciDAC) project on Multiscale Methods for Accurate, Efficient, and Scale-Aware Models of the Earth System. NR 65 TC 9 Z9 9 U1 1 U2 11 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2013 VL 6 IS 4 BP 1157 EP 1171 DI 10.5194/gmd-6-1157-2013 PG 15 WC Geosciences, Multidisciplinary SC Geology GA 212KE UT WOS:000323981100016 ER PT J AU Stepanenko, VM Martynov, A Johnk, KD Subin, ZM Perroud, M Fang, X Beyrich, F Mironov, D Goyette, S AF Stepanenko, V. M. Martynov, A. Joehnk, K. D. Subin, Z. M. Perroud, M. Fang, X. Beyrich, F. Mironov, D. Goyette, S. TI A one-dimensional model intercomparison study of thermal regime of a shallow, turbid midlatitude lake SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID REGIONAL CLIMATE MODEL; SURFACE-TEMPERATURE; GREAT-LAKES; PARAMETERIZATION; SIMULATION; IMPLEMENTATION; EVAPORATION; BALANCE; SCHEME AB Results of a lake model intercomparison study conducted within the framework of Lake Model Intercomparison Project are presented. The investigated lake was Grosser Kossenblatter See (Germany) as a representative of shallow, (2 m mean depth) turbid midlatitude lakes. Meteorological measurements, including turbulent fluxes and water temperature, were carried out by the Lindenberg Meteorological Observatory of the German Meteorological Service (Deutscher Wetterdienst, DWD). Eight lake models of different complexity were run, forced by identical meteorological variables and model parameters unified as far as possible given different formulations of processes. All models generally captured diurnal and seasonal variability of lake surface temperature reasonably well. However, some models were incapable of realistically reproducing temperature stratification in summer. Total heat turbulent fluxes, computed by the surface flux schemes of the compared lake models, deviated on average from those measured by eddy covariance by 17-28 W m(-2). There are a number of possible reasons for these deviations, and the conclusion is drawn that underestimation of real fluxes by the eddy covariance technique is the most probable reason. It is supported by the fact that the eddy covariance fluxes do not allow to close the heat balance of the water column, the residual for the whole period considered being approximate to -28 W m(-2). The effect of heat flux to bottom sediments can become significant for bottom temperatures. It also has profound influence on the surface temperatures in autumn due to convective mixing but not in summer when the lake stratification is stable. Thus, neglecting sediments shifts the summer-autumn temperature difference in models lacking explicit treatment of sediments considerably. As a practical recommendation based on results of the present study, we also infer that in order to realistically represent lakes in numerical weather prediction and climate models, it is advisable to use depth-resolving turbulence models (or equivalent) in favor of models with a completely mixed temperature profile. C1 [Stepanenko, V. M.] Moscow MV Lomonosov State Univ, Ctr Res Comp, Moscow 119234, Russia. [Martynov, A.] Univ Quebec, Ctr ESCER, Montreal, PQ H3C 3P8, Canada. [Joehnk, K. D.] CSIRO Land & Water, Canberra, ACT 2601, Australia. [Subin, Z. M.] Princeton Environm Inst, Princeton, NJ 08544 USA. [Perroud, M.] Univ Michigan, Cooperat Inst Limnol & Ecosyst Res, Sch Nat Resources & Environm, Ann Arbor, MI 48109 USA. [Fang, X.] Auburn Univ, Dept Civil Engn, Auburn, AL 36849 USA. [Beyrich, F.] Deutsch Wetterdienst DWD, MOL, Lindenberg, Germany. [Mironov, D.] Deutsch Wetterdienst, Forsch & Entwicklung, Offenbach, Germany. [Goyette, S.] Univ Geneva, Inst Sci Environm Climat Change & Climate Impacts, Geneva, Switzerland. [Subin, Z. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Stepanenko, VM (reprint author), Moscow MV Lomonosov State Univ, Ctr Res Comp, GSP-1 Leninskie Gory 1,Bld 4, Moscow 119234, Russia. EM stepanen@srcc.msu.ru RI Stepanenko, Victor/N-8467-2013; Johnk, Klaus/B-3382-2008; Subin, Zachary/K-5168-2012 OI Stepanenko, Victor/0000-0003-3033-6712; Johnk, Klaus/0000-0002-5972-4201; Subin, Zachary/0000-0002-9257-9288 FU Russian Foundation for Basic Research (RFBR) [12-05-01068-a]; Council of President of Russian Federation [MK-6767.2012.5]; Russian Ministry for Education and Science [2012-1.2.2-12-000-1008-0301]; Canadian Foundation for Climate and Atmospheric Sciences (CFCAS); Ministere du Developpement economique, Innovation et Exportation (MDEIE); Ouranos Consortium on Regional Climatology and Adaptation to Climate Change; Natural Sciences and Engineering Research Council of Canada (NSERC); Mathematics of Information Technology and Complex systems (MITACS) FX Victor Stepanenko was supported by a grant from the Russian Foundation for Basic Research (RFBR) 12-05-01068-a, by a grant from the Council of President of Russian Federation for support of young Russian scientists and leading research schools MK-6767.2012.5, and by a grant from the Russian Ministry for Education and Science No.2012-1.2.2-12-000-1008-0301.; Andrey Martynov was supported by Canadian Foundation for Climate and Atmospheric Sciences (CFCAS), the Ministere du Developpement economique, Innovation et Exportation (MDEIE), the Ouranos Consortium on Regional Climatology and Adaptation to Climate Change, the Natural Sciences and Engineering Research Council of Canada (NSERC), and Mathematics of Information Technology and Complex systems (MITACS). Authors are grateful to Annika Nordbo from University of Helsinki for useful discussions on interactions of small lakes with atmosphere in midlatitudes. NR 38 TC 12 Z9 12 U1 1 U2 22 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2013 VL 6 IS 4 BP 1337 EP 1352 DI 10.5194/gmd-6-1337-2013 PG 16 WC Geosciences, Multidisciplinary SC Geology GA 212KE UT WOS:000323981100026 ER PT J AU Jacobsen, DW Gunzburger, M Ringler, T Burkardt, J Peterson, J AF Jacobsen, D. W. Gunzburger, M. Ringler, T. Burkardt, J. Peterson, J. TI Parallel algorithms for planar and spherical Delaunay construction with an application to centroidal Voronoi tessellations SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID SHALLOW-WATER EQUATIONS; TRIANGULATION; GENERATION AB A new algorithm, featuring overlapping domain decompositions, for the parallel construction of Delaunay and Voronoi tessellations is developed. Overlapping allows for the seamless stitching of the partial pieces of the global Delaunay tessellations constructed by individual processors. The algorithm is then modified, by the addition of stereographic projections, to handle the parallel construction of spherical Delaunay and Voronoi tessellations. The algorithms are then embedded into algorithms for the parallel construction of planar and spherical centroidal Voronoi tessellations that require multiple constructions of Delaunay tessellations. This combination of overlapping domain decompositions with stereographic projections provides a unique algorithm for the construction of spherical meshes that can be used in climate simulations. Computational tests are used to demonstrate the efficiency and scalability of the algorithms for spherical Delaunay and centroidal Voronoi tessellations. Compared to serial versions of the algorithm and to STRIPACK-based approaches, the new parallel algorithm results in speedups for the construction of spherical centroidal Voronoi tessellations and spherical Delaunay triangulations. C1 [Jacobsen, D. W.; Gunzburger, M.; Burkardt, J.; Peterson, J.] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. [Jacobsen, D. W.; Ringler, T.] Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA. RP Jacobsen, DW (reprint author), Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. EM jacobsen.douglas@gmail.com FU US Department of Energy [DE-SC0002624, DE-FG02-07ER64432] FX We would like to thank Geoff Womeldorff and Michael Duda for many useful discussions. The work of Doug Jacobsen, Max Gunzburger, John Burkardt, and Janet Peterson was supported by the US Department of Energy under grants number DE-SC0002624 and DE-FG02-07ER64432. NR 28 TC 3 Z9 5 U1 2 U2 12 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2013 VL 6 IS 4 BP 1353 EP 1365 DI 10.5194/gmd-6-1353-2013 PG 13 WC Geosciences, Multidisciplinary SC Geology GA 212KE UT WOS:000323981100027 ER PT J AU Li, J Duan, QY Gong, W Ye, A Dai, Y Miao, C Di, Z Tong, C Sun, Y AF Li, J. Duan, Q. Y. Gong, W. Ye, A. Dai, Y. Miao, C. Di, Z. Tong, C. Sun, Y. TI Assessing parameter importance of the Common Land Model based on qualitative and quantitative sensitivity analysis SO HYDROLOGY AND EARTH SYSTEM SCIENCES LA English DT Article ID SOIL-MOISTURE; SURFACE; UNCERTAINTY; OUTPUT AB Proper specification of model parameters is critical to the performance of land surface models (LSMs). Due to high dimensionality and parameter interaction, estimating parameters of an LSM is a challenging task. Sensitivity analysis (SA) is a tool that can screen out the most influential parameters on model outputs. In this study, we conducted parameter screening for six output fluxes for the Common Land Model: sensible heat, latent heat, upward longwave radiation, net radiation, soil temperature and soil moisture. A total of 40 adjustable parameters were considered. Five qualitative SA methods, including local, sum-of-trees, multivariate adaptive regression splines, delta test and Morris methods, were compared. The proper sampling design and sufficient sample size necessary to effectively screen out the sensitive parameters were examined. We found that there are 2-8 sensitive parameters, depending on the output type, and about 400 samples are adequate to reliably identify the most sensitive parameters. We also employed a revised Sobol' sensitivity method to quantify the importance of all parameters. The total effects of the parameters were used to assess the contribution of each parameter to the total variances of the model outputs. The results confirmed that global SA methods can generally identify the most sensitive parameters effectively, while local SA methods result in type I errors (i.e., sensitive parameters labeled as insensitive) or type II errors (i.e., insensitive parameters labeled as sensitive). Finally, we evaluated and confirmed the screening results for their consistency with the physical interpretation of the model parameters. C1 [Li, J.; Duan, Q. Y.; Gong, W.; Ye, A.; Dai, Y.; Miao, C.; Di, Z.] Beijing Normal Univ, Coll Global Change & Earth Syst Sci GCESS, Beijing 100875, Peoples R China. [Tong, C.; Sun, Y.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Duan, QY (reprint author), Beijing Normal Univ, Coll Global Change & Earth Syst Sci GCESS, Beijing 100875, Peoples R China. EM lijianduo@mail.bnu.edu.cn; qyduan@bnu.edu.cn RI Miao, chiyuan/E-6036-2011; Duan, Qingyun/C-7652-2011; Dai, Yongjiu/D-6261-2014; ye, aizhong/G-6739-2014; rslab, water/O-7043-2015; OI Miao, chiyuan/0000-0001-6413-7020; Duan, Qingyun/0000-0001-9955-1512; Dai, Yongjiu/0000-0002-3588-6644; ye, aizhong/0000-0002-5272-134X FU Natural Science Foundation of China [41075075]; Chinese Ministry of Science and Technology 973 Research Program [2010CB428402] FX The authors want to acknowledge the support provided by Natural Science Foundation of China (grant no. 41075075) and Chinese Ministry of Science and Technology 973 Research Program (grant no. 2010CB428402). Special thanks are due to the Environmental & Ecological Science Data Center for West China, National Natural Science Foundation of China (http://westdc.westgis.ac.cn) for providing the meteorological forcing data, and to the group of Prof. Shaomin Liu at State Key Laboratory of Remote Sensing Science, School of Geography and Remote Sensing Science of Beijing Normal University, for providing the surface flux validation data. NR 68 TC 17 Z9 18 U1 2 U2 40 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1027-5606 J9 HYDROL EARTH SYST SC JI Hydrol. Earth Syst. Sci. PY 2013 VL 17 IS 8 BP 3279 EP 3293 DI 10.5194/hess-17-3279-2013 PG 15 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA 212KL UT WOS:000323981900018 ER PT J AU Kenway, S McMahon, J Elmer, V Conrad, S Rosenblum, J AF Kenway, S. McMahon, J. Elmer, V. Conrad, S. Rosenblum, J. TI Managing water-related energy in future cities - a research and policy roadmap SO JOURNAL OF WATER AND CLIMATE CHANGE LA English DT Article DE energy; future cities; greenhouse gas emissions; urban metabolism; water ID METABOLISM AB Water-related energy accounts for around one-quarter of California's energy use. Most of the influence is within cities. This project aimed to identify research and policy needs associated with managing energy related to urban water. A workshop was convened with diverse representation from water and energy sectors in federal (US), state (California) and municipal governments, research and regulatory agencies, universities, utilities, not-for profit and private sectors. The workshop established a vision of future cities, including elements of success, research needs and barriers. A subsequent on-line survey was used to estimate the potential, effort and 'potential-to-effort' ratio of each suggested element. First suggested steps in the roadmap include: development of educational programmes, combined standards, guidelines, funding and planning for water and energy efficiency, improved understanding and management of factors motivating consumers, and improved methods to quantify and track targets of 'water-related energy and related greenhouse gas emissions'. The 'roadmap' could help streamline future effort and sequencing action. The authors note and reflect on the importance of representation at such a workshop, and an effort is made to understand sources of variability in viewpoints. The semi-quantitative method used could have relevance to wider resource management issues and complex problem resolution. C1 [Kenway, S.] Univ Queensland, Adv Water Management Ctr, Brisbane, Qld, Australia. [McMahon, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Elmer, V.] Univ Oregon, Eugene, OR 97403 USA. [Conrad, S.] Simon Fraser Univ, REM, Burnaby, BC V5A 1S6, Canada. [Rosenblum, J.] Rosenblum Environm Engn, Sebastopol, CA USA. RP Kenway, S (reprint author), Univ Queensland, Adv Water Management Ctr, Gehrmann Bldg,Res Rd, Brisbane, Qld, Australia. EM s.kenway@uq.edu.au RI Kenway, Steven/J-8031-2013 OI Kenway, Steven/0000-0002-2095-9388 FU Australian-American Fulbright Commission; Lawrence Berkeley National Laboratory; University of California Berkeley; Swiss Federal Institute of Aquatic Science and Technology (Eawag); Queensland Government; University of Queensland; CSIRO; Griffith University FX Sincere appreciation is given to all participants of the workshop, and those who made it possible. In particular, Doug Davenport, Richard Harris, Gary Wolff and Mikhail Haramati for good ideas and encouragement. The support of the SEQ Urban Water Security Research Alliance (including the Queensland Government, University of Queensland, CSIRO and Griffith University), the Australian-American Fulbright Commission, the Lawrence Berkeley National Laboratory, the University of California Berkeley and the Swiss Federal Institute of Aquatic Science and Technology (Eawag) is greatly appreciated. NR 22 TC 5 Z9 5 U1 3 U2 17 PU IWA PUBLISHING PI LONDON PA ALLIANCE HOUSE, 12 CAXTON ST, LONDON SW1H0QS, ENGLAND SN 2040-2244 J9 J WATER CLIM CHANGE JI J. Water Clim. Chang. PY 2013 VL 4 IS 3 BP 161 EP 175 DI 10.2166/wcc.2013.063 PG 15 WC Water Resources SC Water Resources GA 205DK UT WOS:000323421500001 ER PT S AU Seifert, A Aalseth, CE Bonicalzi, RM Bowyer, TW Day, AR Fuller, ES Haas, DA Hayes, JC Hoppe, EW Humble, PH Keillor, ME LaFerriere, BD Mace, EK McIntyre, JI Merriman, JH Miley, HS Myers, AW Orrell, JL Overman, CT Panisko, ME Williams, RM AF Seifert, A. Aalseth, C. E. Bonicalzi, R. M. Bowyer, T. W. Day, A. R. Fuller, E. S. Haas, D. A. Hayes, J. C. Hoppe, E. W. Humble, P. H. Keillor, M. E. LaFerriere, B. D. Mace, E. K. McIntyre, J. I. Merriman, J. H. Miley, H. S. Myers, A. W. Orrell, J. L. Overman, C. T. Panisko, M. E. Williams, R. M. BE Miramonti, L Pandola, L TI Calibration of an Ultra-Low-Background Proportional Counter for Measuring Ar-37 SO LOW RADIOACTIVITY TECHNIQUES 2013 (LRT 2013) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 4th International Workshop on Low Radioactivity Techniques (LRT) CY APR 10-12, 2013 CL INFN, Laboratori Nazionali Gran Sasso, Assergi, ITALY SP Natl Inst Nucl Phys (INFN), Univ Milano, Wiener Plein & Baus GmbH HO INFN, Laboratori Nazionali Gran Sasso DE ultra-low-background; proportional counter; Ar-37 ID ARGON AB An ultra-low-background proportional counter design has been developed at Pacific Northwest National Laboratory (PNNL) using clean materials, primarily electrochemically-purified copper. This detector, along with an ultra-low-background counting system (ULBCS), was developed to complement a new shallow underground laboratory (30 meters water-equivalent) at PNNL. The ULBCS design includes passive neutron and gamma shielding, along with an active cosmic-veto system. This system provides a capability for making ultra-sensitive measurements to support applications like age-dating soil hydrocarbons with C-14/H-3, age-dating of groundwater with Ar-39, and soil-gas assay for Ar-37 to support On-Site Inspection (OSI). On-Site Inspection is a key component of the verification regime for the Comprehensive Nuclear-Test-Ban Treaty (CTBT). Measurements of radionuclides created by an underground nuclear explosion are valuable signatures of a Treaty violation. For OSI, the 35-day half-life of Ar-37, produced from neutron interactions with calcium in soil, provides both high specific activity and sufficient time for inspection before decay limits sensitivity. This work describes the calibration techniques and analysis methods developed to enable quantitative measurements of Ar-37 samples over a broad range of proportional counter operating pressures. These efforts, along with parallel work in progress on gas chemistry separation, are expected to provide a significant new capability for Ar-37 soil gas background studies. C1 [Seifert, A.; Aalseth, C. E.; Bonicalzi, R. M.; Bowyer, T. W.; Day, A. R.; Fuller, E. S.; Haas, D. A.; Hayes, J. C.; Hoppe, E. W.; Humble, P. H.; Keillor, M. E.; LaFerriere, B. D.; Mace, E. K.; McIntyre, J. I.; Merriman, J. H.; Miley, H. S.; Myers, A. W.; Orrell, J. L.; Overman, C. T.; Panisko, M. E.; Williams, R. M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Seifert, A (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. RI Humble, Paul/K-1961-2012; McIntyre, Justin/P-1346-2014; Humble, Paul/E-4766-2015; OI Humble, Paul/0000-0002-2632-6557; McIntyre, Justin/0000-0002-3706-4310; Keillor, Martin/0000-0001-7828-5868; Day, Anthony/0000-0002-1217-1822 NR 11 TC 1 Z9 1 U1 1 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1174-6 J9 AIP CONF PROC PY 2013 VL 1549 BP 26 EP 29 DI 10.1063/1.4818068 PG 4 WC Physics, Applied; Physics, Nuclear SC Physics GA BGQ50 UT WOS:000323787100006 ER PT S AU Mace, EK Aalseth, CE Bonicalzi, R Day, AR Fuller, ES Hayes, JC Hoppe, EW LaFerriere, BD Merriman, JH Overman, CT Seifert, A Williams, RM AF Mace, E. K. Aalseth, C. E. Bonicalzi, R. Day, A. R. Fuller, E. S. Hayes, J. C. Hoppe, E. W. LaFerriere, B. D. Merriman, J. H. Overman, C. T. Seifert, A. Williams, R. M. BE Miramonti, L Pandola, L TI Initial Characterization of Unequal-Length, Low-Background Proportional Counters for Absolute Gas-Counting Applications SO LOW RADIOACTIVITY TECHNIQUES 2013 (LRT 2013) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 4th International Workshop on Low Radioactivity Techniques (LRT) CY APR 10-12, 2013 CL INFN, Laboratori Nazionali Gran Sasso, Assergi, ITALY SP Natl Inst Nucl Phys (INFN), Univ Milano, Wiener Plein & Baus GmbH HO INFN, Laboratori Nazionali Gran Sasso DE absolute gas activity; ultra-low-background; proportional counters; unequal length; characterization AB Characterization of two sets of custom unequal length proportional counters is underway at Pacific Northwest National Laboratory (PNNL). These detectors will be used in measurements to determine the absolute activity concentration of gaseous radionuclides (e.g., Ar-37). A set of three detectors has been fabricated based on previous PNNL ultra-low-background proportional counter designs and now operate in PNNL's shallow underground counting laboratory. A second set of four counters has also been fabricated using clean assembly of Oxygen-Free High-Conductivity copper components for use in a shielded above-ground counting laboratory. Characterization of both sets of detectors is underway with measurements of background rates, gas gain, and energy resolution. These results will be presented along with a shielding study for the above-ground cave. C1 [Mace, E. K.; Aalseth, C. E.; Bonicalzi, R.; Day, A. R.; Fuller, E. S.; Hayes, J. C.; Hoppe, E. W.; LaFerriere, B. D.; Merriman, J. H.; Overman, C. T.; Seifert, A.; Williams, R. M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Mace, EK (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,MSIN J4-80, Richland, WA 99352 USA. OI Day, Anthony/0000-0002-1217-1822 NR 5 TC 2 Z9 2 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1174-6 J9 AIP CONF PROC PY 2013 VL 1549 BP 30 EP 33 DI 10.1063/1.4818069 PG 4 WC Physics, Applied; Physics, Nuclear SC Physics GA BGQ50 UT WOS:000323787100007 ER PT S AU Hoppe, EW Overman, NR LaFerriere, BD AF Hoppe, E. W. Overman, N. R. LaFerriere, B. D. BE Miramonti, L Pandola, L TI Evaluation of Ultra-Low Background Materials for Uranium and Thorium Using ICP-MS SO LOW RADIOACTIVITY TECHNIQUES 2013 (LRT 2013) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 4th International Workshop on Low Radioactivity Techniques (LRT) CY APR 10-12, 2013 CL INFN, Laboratori Nazionali Gran Sasso, Assergi, ITALY SP Natl Inst Nucl Phys (INFN), Univ Milano, Wiener Plein & Baus GmbH HO INFN, Laboratori Nazionali Gran Sasso DE ICP-MS; Uranium; Thorium; Ultra-Trace; Radionuclides ID ANION EXCHANGE SEPARATION; PLASMA-MASS SPECTROMETRY AB An increasing number of physics experiments require low background materials for their construction. The presence of Uranium and Thorium and their progeny in these materials present a variety of unwanted background sources for these experiments. The sensitivity of the experiments continues to drive the necessary levels of detection ever lower as well. This requirement for greater sensitivity has rendered direct radioassay impractical in many cases requiring large quantities of material, frequently many kilograms, and prolonged counting times, often months. Other assay techniques have been employed such as Neutron Activation Analysis but this requires access to expensive facilities and instrumentation and can be further complicated and delayed by the formation of unwanted radionuclides. Inductively Coupled Plasma Mass Spectrometry (ICP-MS) is a useful tool and recent advancements have increased the sensitivity particularly in the elemental high mass range of U and Th. Unlike direct radioassay, ICP-MS is a destructive technique since it requires the sample to be in liquid form which is aspirated into a high temperature plasma. But it benefits in that it usually requires a very small sample, typically about a gram. This paper discusses how a variety of low background materials such as copper, polymers, and fused silica are made amenable to ICP-MS assay and how the arduous task of maintaining low backgrounds of U and Th is achieved. C1 [Hoppe, E. W.; Overman, N. R.; LaFerriere, B. D.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Hoppe, EW (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. NR 18 TC 1 Z9 1 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1174-6 J9 AIP CONF PROC PY 2013 VL 1549 BP 58 EP 65 DI 10.1063/1.4818076 PG 8 WC Physics, Applied; Physics, Nuclear SC Physics GA BGQ50 UT WOS:000323787100014 ER PT S AU Kulshreshtha, PK Maruyama, K Kiani, S Ziegler, D Blackwell, J Olynick, D Ashby, PD AF Kulshreshtha, Prashant K. Maruyama, Ken Kiani, Sara Ziegler, Dominik Blackwell, James Olynick, Deirdre Ashby, Paul D. BE Starikov, A Cain, JP TI Nanoscale modulus and surface chemistry characterization for collapse free resists SO METROLOGY, INSPECTION, AND PROCESS CONTROL FOR MICROLITHOGRAPHY XXVII SE Proceedings of SPIE LA English DT Proceedings Paper CT 27th Conference on Metrology, Inspection, and Process Control for Microlithography CY FEB 25-28, 2013 CL San Jose, CA SP SPIE, Nova Measuring Instruments Inc DE Peak Force; Modulus; QNM; cross-linker; pattern collapse; Fluid-cell; chemically amplified; Surface Chemistry; kinetics ID PATTERN COLLAPSE; CALIBRATION AB On of the key challenges to high resolution resist pattern is pattern collapse. Using a new scanning probe microscopy (SPM), Peak Force (TM) tapping, we map nano-mechanical properties- modulus, adhesion, and dissipation- of the exposed/developed resist strucutres with sub-10 nm resolution. Properties are compared across a carbon based negative resist with and without cross-linking. The SPM technique reveals that cross-linking significantly enhanced the mechanical properties to give a champion resolution of sub 20 nm half-pitch in a chemically amplified negative resist system. Beyond mechanical properties, surface morphology and redistribution kinetics were examined using complementary techniques and reveal additional benefits with cross-lining. C1 [Kulshreshtha, Prashant K.; Ziegler, Dominik; Olynick, Deirdre; Ashby, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Maruyama, Ken] JSR Micro INC, Sunnyvale, CA 94089 USA. [Kiani, Sara] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Blackwell, James] Intel Corp, Components Res, Hillsboro, OR 97124 USA. RP Kulshreshtha, PK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pkkulshreshtha@lbl.gov RI Foundry, Molecular/G-9968-2014 FU Kanagawa University (Japan); Columbia Hill Technical Consulting (USA); Intel Corporation (PK, PA, DO and JB); U.S. Department of Energy [DE-AC02-05CH11231]; JSR Micro (KM); Bruker Icon AFM; CXRO; EUV Beamline FX The authors are greatly indebted to Prof. Tadatomi Nishikubo, Kanagawa University (Japan) for discussion about Noria and Dr. Bill Hinsberg, Columbia Hill Technical Consulting (USA) for helpful discussions and suggestions related to this work. This work was supported by the Intel Corporation (PK, PA, DO and JB). U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and JSR Micro (KM). We would like to thank Miquel Salmeron for the use of his Bruker Icon AFM. We would also like to thank Polina Babina, Parera, Scott Dhuey, Erin Wood, Ed Wong (Molecular Foundry), Weilum Chao (CXRO), and EUV Beamline staff (Advanced Light source) for their help and discussions. NR 19 TC 0 Z9 0 U1 1 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9463-4 J9 PROC SPIE PY 2013 VL 8681 AR UNSP 86810O DI 10.1117/12.2011657 PG 11 WC Instruments & Instrumentation; Optics; Imaging Science & Photographic Technology SC Instruments & Instrumentation; Optics; Imaging Science & Photographic Technology GA BGI87 UT WOS:000323182500024 ER PT J AU Sattayasamitsathit, S Gu, YE Kaufmann, K Minteer, S Polsky, R Wang, J AF Sattayasamitsathit, Sirilak Gu, Yonge Kaufmann, Kevin Minteer, Shelley Polsky, Ronen Wang, Joseph TI Tunable hierarchical macro/mesoporous gold microwires fabricated by dual-templating and dealloying processes SO NANOSCALE LA English DT Article ID ORDERED MACROPOROUS GOLD; NANOPOROUS GOLD; ELECTROCHEMICAL DEPOSITION; ALLOYS; FILMS; NANOWIRES; EVOLUTION; POROSITY; PALLADIUM; PLATINUM AB Tailor-made highly ordered macro/mesoporous hierarchical metal architectures have been created by combining sphere lithography, membrane template electrodeposition and alloy-etching processes. The new double-template preparation route involves the electrodeposition of Au/Ag alloy within the interstitial (void) spaces of polystyrene (PS) microspheres which are closely packed within the micropores of a polycarbonate membrane (PC), followed by dealloying of the Ag component and dissolution of the microsphere and membrane templates. The net results of combining such sphere lithography and silver etching is the creation of highly regular three-dimensional macro/mesoporous gold architecture with well-controlled sizes and shapes. The morphology and porosity of the new hierarchical porous structures can be tailored by controlling the preparation conditions, such as the composition of the metal mixture plating solution, the size of the microspheres template, or the dealloying time. Such tunable macro/mesoporous hierarchical structures offer control of the electrochemical reactivity and of the fuel mass transport, as illustrated for the enhanced oxygen reduction reaction (ORR) and hydrogen-peroxide detection. The new double templated electrodeposition method provides an attractive route for preparing highly controllable multiscale porous materials and diverse morphologies based on different materials and hence holds considerable promise for designing electrocatalytic or bioelectrocatalytic surfaces for a variety sensing and energy applications. C1 [Sattayasamitsathit, Sirilak; Gu, Yonge; Kaufmann, Kevin; Wang, Joseph] Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA. [Minteer, Shelley] Univ Utah, Dept Chem & Mat Sci & Engn, Salt Lake City, UT 84112 USA. [Polsky, Ronen] Sandia Natl Labs, Dept Biosensors & Nanomat, Albuquerque, NM 87185 USA. RP Wang, J (reprint author), Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA. EM josephwang@ucsd.edu RI Sattayasamitsathit, Sirilak/A-6883-2010; Wang, Joseph/C-6175-2011; Minteer, Shelley/C-4751-2014 OI Sattayasamitsathit, Sirilak/0000-0003-0349-3333; Minteer, Shelley/0000-0002-5788-2249 FU National Science Foundation [CHE-1057562]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DOE-BES DE-SC0004937]; Laboratory Directed Research and Development program at Sandia National Laboratories; China Scholarship Council (CSC) FX This research was supported by the National Science Foundation under award no. CHE-1057562 (electrodes fabrication and SEM characterization), by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under award no. DOE-BES DE-SC0004937 (electrochemical characterization), and by the Laboratory Directed Research and Development program at Sandia National Laboratories (materials and chemicals). Y. G. acknowledges the China Scholarship Council (CSC) for the financial support. The authors thank W. Gao and P. Xu for their help. NR 32 TC 15 Z9 15 U1 4 U2 84 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 17 BP 7849 EP 7854 DI 10.1039/c3nr02940a PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 198YA UT WOS:000322958800024 PM 23846732 ER PT J AU Schafer, C Gollmer, DA Horrer, A Fulmes, J Weber-Bargioni, A Cabrini, S Schuck, PJ Kern, DP Fleischer, M AF Schaefer, Christian Gollmer, Dominik A. Horrer, Andreas Fulmes, Julia Weber-Bargioni, Alexander Cabrini, Stefano Schuck, P. James Kern, Dieter P. Fleischer, Monika TI A single particle plasmon resonance study of 3D conical nanoantennas SO NANOSCALE LA English DT Article ID ENHANCED RAMAN-SPECTROSCOPY; NANOSPHERE LITHOGRAPHY; SILVER NANOPARTICLES; GOLD NANOPARTICLES; SIZE; SCATTERING; FLUORESCENCE; ABSORPTION; MICROSCOPY; RESOLUTION AB Metallic nanocones are well-suited optical antennas for near-field microscopy and spectroscopy, exhibiting a number of different plasmonic modes. A major challenge in using nanocones for many applications is maximizing the signal at the tip while minimizing the background from the base. It is shown that nanocone plasmon resonance properties can be shifted over a wide range of wavelengths by variation of the substrate, material, size and shape, enabling potential control over specific modes and field distributions. The individual resonances are identified and studied by correlated single particle dark field scattering and scanning electron microscopy in combination with numerical simulations. C1 [Schaefer, Christian; Gollmer, Dominik A.; Horrer, Andreas; Fulmes, Julia; Kern, Dieter P.; Fleischer, Monika] Univ Tubingen, Inst Appl Phys, D-72076 Tubingen, Germany. [Schaefer, Christian; Gollmer, Dominik A.; Horrer, Andreas; Fulmes, Julia; Kern, Dieter P.; Fleischer, Monika] Univ Tubingen, Ctr LISA, D-72076 Tubingen, Germany. [Weber-Bargioni, Alexander; Cabrini, Stefano; Schuck, P. James] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Schafer, C (reprint author), Univ Tubingen, Inst Appl Phys, Morgenstelle 10, D-72076 Tubingen, Germany. EM Christian.schaefer@uni-tuebingen.de; monika.fleischer@uni-tuebingen.de RI Foundry, Molecular/G-9968-2014 FU European Social Fund; Ministry Of Science, Research and the Arts Baden-Wuerttemberg; Wilhelm Schuler Foundation; Baden-Wurttemberg Foundation; German-Israeli Foundation for Scientific Research and Development; Carl-Zeiss-Foundation; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors thank A. Taber, A. McLeod, D. Gargas, P. Reichenbach, L. Eng, A. Horneber, D. Zhang, A. J. Meixner, and P. M. Adam for valuable discussions. This project is supported by the European Social Fund, by the Ministry Of Science, Research and the Arts Baden-Wuerttemberg and the Wilhelm Schuler Foundation. Financial support by Baden-Wurttemberg Foundation is gratefully acknowledged. M. F. and J.F. gratefully acknowledge financial support by the German-Israeli Foundation for Scientific Research and Development and J.F. gratefully acknowledges financial support by the Carl-Zeiss-Foundation. Work at the Molecular Foundry was performed under User Proposals no. 550 and no. 917 and supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 38 TC 13 Z9 13 U1 2 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 17 BP 7861 EP 7866 DI 10.1039/c3nr01292a PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 198YA UT WOS:000322958800026 PM 23846476 ER PT J AU Kaur, M Dai, QL Bowden, M Engelhard, MH Wu, YQ Tang, JK Qiang, Y AF Kaur, Maninder Dai, Qilin Bowden, Mark Engelhard, Mark H. Wu, Yaqiao Tang, Jinke Qiang, You TI Watermelon-like iron nanoparticles: Cr doping effect on magnetism and magnetization interaction reversal SO NANOSCALE LA English DT Article ID CORE-SHELL NANOCLUSTERS; EXCHANGE-ANISOTROPY; BIOMEDICAL APPLICATIONS; ROOM-TEMPERATURE; CHROMIUM ALLOYS; BEHAVIOR; SYSTEM; MAGNETORESISTANCE; FERROMAGNETISM; OXIDATION AB Cr-doped core-shell iron/iron-oxide nanoparticles (NPs) containing 0, 2, 5, and 8 at.% of Cr dopant were synthesized via a nanocluster deposition system and their structural and magnetic properties were investigated. We observed the formation of a sigma-FeCr phase in 2 at.% of Cr doping in core-shell NPs. This is unique since it was reported in the past that the sigma-phase forms above 20 at.% of Cr. The large coercive field and exchange bias are ascribed to the antiferromagnetic Cr2O3 layer formed with the Fe-oxide shell, which also acts as a passivation layer to decrease the Fe-oxide shell thickness. The additional s-phase in the core and/or Cr2O3 in the shell cause the hysteresis loop to appear tight waisted near the zero-field axis. The exchange interaction competes with the dipolar interaction with the increase of sigma-FeCr grains in the Fe-core. The interaction reversal has been observed in 8 at.% of Cr. The observed reversal mechanism is confirmed from the Henkel plot and delta M value, and is supported by a theoretical watermelon model based on the core-shell nanostructure system. C1 [Kaur, Maninder; Qiang, You] Univ Idaho, Dept Phys, Moscow, ID 83844 USA. [Dai, Qilin; Tang, Jinke] Univ Wyoming, Dept Phys, Laramie, WY 82071 USA. [Bowden, Mark; Engelhard, Mark H.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wu, Yaqiao] Ctr Adv Energy Studies, Idaho Falls, ID 83401 USA. RP Qiang, Y (reprint author), Univ Idaho, Dept Phys, Moscow, ID 83844 USA. EM youqiang@uidaho.edu RI Dai, Qilin/K-1437-2013; OI Engelhard, Mark/0000-0002-5543-0812 FU U.S. Department of Energy (DOE) [DE-FC07-08ID14926]; INL-LDRD under the DOE [DE-AC07-05ID14517]; DOE by Battelle [DE-AC05-76RL01830] FX This study was supported by U.S. Department of Energy (DOE) under Contract DE-FC07-08ID14926 and by the INL-LDRD administered by the Center for Advanced Energy Studies under the DOE Contract DE-AC07-05ID14517. Parts of the work were conducted in the William R. Wiley Environmental Molecular Sciences Laboratory, a DOE User Facility operated by Battelle for the DOE Office of Biological and Environmental Research. The Pacific Northwest National Laboratory is operated for the DOE by Battelle under Contract DE-AC05-76RL01830. NR 53 TC 9 Z9 9 U1 1 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 17 BP 7872 EP 7881 DI 10.1039/c3nr02247a PG 10 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 198YA UT WOS:000322958800028 PM 23852446 ER PT S AU Rakich, PT Shin, H Qiu, WJ Jarecki, R Cox, JA Olsson, RH Starbuck, A Wang, Z AF Rakich, Peter T. Shin, Heedeuk Qiu, Wenjun Jarecki, Robert Cox, Jonathan A. Olsson, Roy H., III Starbuck, Andrew Wang, Zheng BE Vodopyanov, KL TI Tailorable stimulated Brillouin scattering in silicon nanophotonics SO NONLINEAR FREQUENCY GENERATION AND CONVERSION: MATERIALS, DEVICES, AND APPLICATIONS XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Nonlinear Frequency Generation and Conversion - Materials, Devices, and Applications XII CY FEB 05-07, 2013 CL San Francisco, CA SP SPIE DE Stimulated Brillouin Scattering; Optical Forces; Optomechanics ID PHOTONIC CRYSTAL FIBERS; OPTICAL FORCES; WAVE-GUIDES; RADIATION PRESSURE; ACOUSTIC PHONONS; SLOW LIGHT; SYSTEMS; CAVITY; OPTOMECHANICS; POTENTIALS AB We examine the physics of traveling-wave photon-phonon coupling within nanoscale silicon waveguides and explore a host of new Brillouin-based signal processing technologies enabled by tailorable stimulated Brillouin processes in silicon photonics. Theoretical analysis of Brillouin coupling at sub-wavelength scales is presented, revealing that strong light-boundary interactions produce large radiation pressures mediated Brillouin nonlinearities. Experimental results demonstrating stimulated Brillouin scattering in silicon waveguides for the first time are also presented, revealing 1000 times larger forward stimulated Brillouin gain coeffcients than any prior system. C1 [Rakich, Peter T.; Shin, Heedeuk] Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA. [Jarecki, Robert; Cox, Jonathan A.; Olsson, Roy H., III; Starbuck, Andrew] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Qiu, Wenjun] MIT, Dept Phys, Cambridge, MA 02139 USA. [Wang, Zheng] Univ Texas Austin, Microelectron Res Ctr, Dept Elect & Comp Engn, Austin, TX 78712 USA. RP Rakich, PT (reprint author), Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA. EM peter.rakich@yale.edu FU US Department of Energy's NNSA [DE-AC04-94AL85000]; DDRE under Air Force [FA8721-05-C-000]; DARPA; Sandia's Laboratory Directed Research and Developmen FX Sandia Laboratory is operated by Sandia Co., a Lockheed Martin Company, for the US Department of Energy's NNSA under contract DE-AC04-94AL85000. This work was supported by the DDRE under Air Force contract FA8721-05-C-000, by a DARPA MESODynamics program under Dr. J. Rogers of DARPA's MTO and This work was supported by Sandia's Laboratory Directed Research and Development program. We thank R. Olsson,I. El-Kady, M. Echified byfor helpful technical discussion. NR 48 TC 0 Z9 0 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9373-6 J9 PROC SPIE PY 2013 VL 8604 AR UNSP 860410 DI 10.1117/12.2007918 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA BGE28 UT WOS:000322536300025 ER PT J AU Byelyayev, AA Fedorchenko, DV Khazhmuradov, MA Lukhanin, OA Lukhanin, OA Martynov, SO Rudychev, YV Sporov, EO Rohatgi, US AF Byelyayev, Andrey A. Fedorchenko, Dmitrij V. Khazhmuradov, Manap A. Lukhanin, Oleksandr A. Lukhanin, Oleksiy A. Martynov, Sergey O. Rudychev, Yegor V. Sporov, Eugen O. Rohatgi, Upendra S. TI MEASUREMENT OF AIR COOLING CHARACTERISTICS FOR THE SEVERAL SURFACE TYPES OF Li-ION BATTERY SO PROBLEMS OF ATOMIC SCIENCE AND TECHNOLOGY LA English DT Article AB The system of air cooling for Li-Ion batteries is considered. Experimental setup included thermal chamber and Li-Ion battery cell simulators with temperature sensors. We investigated static and dynamic cooling regimes for several types of cooling surfaces, for different gaps between the simulators and flow rates. Experimental results are compared to the data of computer modelling using Solid Works Flow Simulation software. The cooling efficiencies of the various surfaces for static and transient heat emission modes are compared. C1 [Byelyayev, Andrey A.; Fedorchenko, Dmitrij V.; Khazhmuradov, Manap A.; Lukhanin, Oleksandr A.; Lukhanin, Oleksiy A.; Martynov, Sergey O.; Rudychev, Yegor V.; Sporov, Eugen O.] Kharkov Phys & Technol Inst, Ctr Nat Sci, UA-61108 Kharkov, Ukraine. [Rohatgi, Upendra S.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Khazhmuradov, MA (reprint author), Kharkov Phys & Technol Inst, Ctr Nat Sci, UA-61108 Kharkov, Ukraine. EM khazm@kipt.kharkov.ua FU [BNL-T2-371-UA] FX We would like to thanks Bahram Khalighi, Taeyoung Han, Erik Yen (General Motors Global R&D, Vesicle Department Research Lab, USA), and Alexey Ushakov(Chief Scientist for Eastern Europe GM R&D Office) for their help and guidance in this research. This research was supported by BNL-T2-371-UA grant. NR 3 TC 0 Z9 0 U1 0 U2 3 PU KHARKOV INST PHYSICS & TECHNOLOGY PI KHARKOV PA NATL SCIENCE CTR, 1 AKADEMICHESKAYA ST, KHARKOV, 61108, UKRAINE SN 1562-6016 J9 PROBL ATOM SCI TECH JI Probl. At. Sci. Tech. PY 2013 IS 3 BP 247 EP 252 PG 6 WC Nuclear Science & Technology; Physics, Fluids & Plasmas; Physics, Nuclear; Physics, Particles & Fields SC Nuclear Science & Technology; Physics GA 173FY UT WOS:000321064900034 ER PT B AU Demas, NG Timofeeva, EV Routbort, JL Fenske, GR AF Demas, Nicholaos G. Timofeeva, Elena V. Routbort, Jules L. Fenske, George R. GP ASME TI TRIBOLOGICAL EFFECTS OF BN AND MOS2 NANOPARTICLES ADDED TO POLYALPHAOLEFIN OIL IN PISTON SKIRT/CYLINDER LINER TESTS SO PROCEEDINGS OF THE ASME/STLE INTERNATIONAL JOINT TRIBOLOGY CONFERENCE, IJTC 2012 LA English DT Proceedings Paper CT ASME/STLE International Joint Tribology Conference (IJTC 2012) CY OCT 07-10, 2012 CL Denver, CO SP Amer Soc Mech Engineers, Tribol Div, Soc Tribologists & Lubricat Engineers AB In this work, the friction and wear of poly-alpha-olefin (PAO10) base oil with 3 wt. % boron nitride (BN), and molybdenum disulfide (MOS2) nanoparticles were studied. The formulations were tested using cast iron cylinder-liner segments reciprocating against aluminum alloy piston-skirt segments at 20, 40, and 100 degrees C. The results showed that at a load of 250 N and reciprocating frequency of 2 Hz BN did not lower friction, whereas MoS2 nanoparticles were very effective at reducing both friction and wear, compared to the base oil. Raman spectroscopy showed the formation of an aligned MoS2 layer on the cast iron liner surface, which functioned as a tribofilm. In the case of the cast iron liner tested with BN nanolubricant there were no traces of BN that could be related to tribofilm formation. The effect of surfactant was also studied and it was found that not only it was beneficial in dispersing the nanoparticles in oil, but also produced some reduction in friction and wear even as stand-alone additive in PAO10. C1 [Demas, Nicholaos G.; Timofeeva, Elena V.; Routbort, Jules L.; Fenske, George R.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Demas, NG (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Timofeeva, Elena/E-6391-2010 NR 5 TC 0 Z9 0 U1 1 U2 8 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4508-0 PY 2013 BP 5 EP 7 PG 3 WC Engineering, Mechanical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Engineering; Science & Technology - Other Topics; Materials Science GA BGO44 UT WOS:000323628000002 ER PT B AU Martin, CL Ajayi, OO Torrel, S Demas, N Erdemir, A Wei, R AF Martin, C. Lorenzo Ajayi, O. O. Torrel, S. Demas, N. Erdemir, A. Wei, R. GP ASME TI EFFECT OF COATING THICKNESS ON TRIBOLOGICAL PERFORMANCE OF CrN IN DRY SLIDING CONTACT SO PROCEEDINGS OF THE ASME/STLE INTERNATIONAL JOINT TRIBOLOGY CONFERENCE, IJTC 2012 LA English DT Proceedings Paper CT ASME/STLE International Joint Tribology Conference (IJTC 2012) CY OCT 07-10, 2012 CL Denver, CO SP Amer Soc Mech Engineers, Tribol Div, Soc Tribologists & Lubricat Engineers AB One of the most commonly used tribological thin-film coatings is Chromium Nitride (CrN), typically deposited by PVD process. Examples of current applications of this coating include cutting and forming tools: ICE piston ring, hydrodynamic pumps, etc. In selecting coating for tribological applications, one of the critical parameter is the coating thickness. In the present work, we experimentally studied the effect of coating thickness on friction and wear performance of CrN coatings under unidirectional sliding. Test were conducted with similar to 1, 5 and 10 microns thick coatings deposited on a hardened H-13 steel substrate by plasma enhanced magnetron sputtering (PEMS) process. The friction behavior was strongly dependent on coating thickness, especially at relatively low loads. At higher load however, the thinner coating (1 mu m) was quickly worn through while the thicker ones (5 and 10 mu m) remained intact. Wear in both, the counterface WC material and the coating was also observed to depend on coating thickness. The observed effect on coating thickness on tribological behavior is attributed to differences in the microstructure and mechanical behaviors of coatings as function of thickness. C1 [Martin, C. Lorenzo; Ajayi, O. O.; Torrel, S.; Demas, N.; Erdemir, A.] ANL, Argonne, IL 60439 USA. RP Martin, CL (reprint author), ANL, Argonne, IL 60439 USA. EM lorenzo-martin@anl.gov; ndemas@anl.gov; erdemir@anl.gov NR 5 TC 0 Z9 0 U1 2 U2 3 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4508-0 PY 2013 BP 75 EP 77 PG 3 WC Engineering, Mechanical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Engineering; Science & Technology - Other Topics; Materials Science GA BGO44 UT WOS:000323628000021 ER PT B AU Erck, R Ajayi, OO Lorenzo-Martin, C Fenske, GR AF Erck, Robert Ajayi, Oyelayo O. Lorenzo-Martin, Cinta Fenske, George R. GP ASME TI INFLUENCE OF SURFACE TEXTURE ON MICRO EHL IN BOUNDARY REGIME SLIDING SO PROCEEDINGS OF THE ASME/STLE INTERNATIONAL JOINT TRIBOLOGY CONFERENCE, IJTC 2012 LA English DT Proceedings Paper CT ASME/STLE International Joint Tribology Conference (IJTC 2012) CY OCT 07-10, 2012 CL Denver, CO SP Amer Soc Mech Engineers, Tribol Div, Soc Tribologists & Lubricat Engineers ID FRICTION AB A hard steel ball was slid against textured coated and uncoated steel disks that had strongly directionally ground surfaces. The friction coefficient during ball-on-disk rotating low-speed lubricated sliding was continuously measured. The coefficient of friction rose from approximate to 1 0.12, which is typical for boundary lubrication regime, to as high as 0.45 whenever the ball was sliding parallel to the grinding ridges on the disc surface. The persistence of this "spike" in the friction was observed to be correlated with the hardness of the disc surface and the nature of the coating. We propose that the frictional spike is due to loss of micro-elastohydrodynamic lubrication, combined with side leakage, leading to intimate asperity-asperity contact. As a result, the coefficient of friction is close to that which is obtained there is no or minimal lubrication. This conclusion is supported by enhanced and persistent frictional spikes in tests conducted with discs coated with a very hard nitride thin film, and constant friction for a disk coated with hydrogenated amorphous carbon, which has low coefficient of friction when there is no/minimal lubrication. C1 [Erck, Robert; Ajayi, Oyelayo O.; Lorenzo-Martin, Cinta; Fenske, George R.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Erck, R (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM erck@anl.gov; lorenzo-martin@anl.gov NR 8 TC 0 Z9 0 U1 2 U2 3 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4508-0 PY 2013 BP 97 EP 99 PG 3 WC Engineering, Mechanical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Engineering; Science & Technology - Other Topics; Materials Science GA BGO44 UT WOS:000323628000027 ER PT B AU Martin, CL Ajayi, OO Torrel, S Fenske, GR Erck, RA AF Martin, C. Lorenzo Ajayi, O. O. Torrel, S. Fenske, G. R. Erck, R. A. GP ASME TI EXPERIMENTAL INVESTIGATION OF TRANSITION IN LUBRICATION REGIME FOR THIN-FILM COATED SURFACES SO PROCEEDINGS OF THE ASME/STLE INTERNATIONAL JOINT TRIBOLOGY CONFERENCE, IJTC 2012 LA English DT Proceedings Paper CT ASME/STLE International Joint Tribology Conference (IJTC 2012) CY OCT 07-10, 2012 CL Denver, CO SP Amer Soc Mech Engineers, Tribol Div, Soc Tribologists & Lubricat Engineers ID FRICTION; WEAR AB Friction and wear behavior of lubricated sliding contact is determined by the operating lubrication regime. A useful approach to determining the operating lubrication regime is the calculation of the lambda ratio, which is defined as the ratio of lubricant fluid film thickness (h), and the composite surface roughness (o') of contacting surfaces (lambda=h/o'). Thin-film tribological coatings are increasingly being used for application in lubricated machine elements such as gears and bearings. It is usually assumed by design engineers that application of thin-film coatings has no effect on fluid-film lubrication. This paper presents our experimental investigation of the impact of several (5) commercially available coatings on lubrication regime during a unidirectional sliding contact. Using a ball-on-flat contact configuration and lubricated with PAO basestock oil, tests were conducted in which the lambda ratio was varied as a function of time, for both uncoated and coated flat specimen. In test with uncoated flat, the various distinctive lubrication regime of hydrodynamic, mixed and boundary were observed as indicated by the measured friction coefficient (Stribeck Curve). In tests with some of the coatings, especially the carbon based DLCs, there was no obvious distinctive transition in lubrication regime. In other coatings (ex. TiCN), various lubrication regime were also observed; although the rate of transition from one regime to the other was different. The effects of coatings are attributed to their inherent mechanical and tribological properties as well as their impact on the run-in process. C1 [Martin, C. Lorenzo; Ajayi, O. O.; Torrel, S.; Erck, R. A.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Martin, CL (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. NR 4 TC 0 Z9 0 U1 1 U2 5 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4508-0 PY 2013 BP 251 EP 253 PG 3 WC Engineering, Mechanical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Engineering; Science & Technology - Other Topics; Materials Science GA BGO44 UT WOS:000323628000065 ER PT J AU Wang, CM Luo, XY Zhu, X Cui, GK Jiang, DE Deng, DS Li, HR Dai, S AF Wang, Congmin Luo, Xiaoyan Zhu, Xiang Cui, Guokai Jiang, De-en Deng, Dongshun Li, Haoran Dai, Sheng TI The strategies for improving carbon dioxide chemisorption by functionalized ionic liquids SO RSC ADVANCES LA English DT Review ID METAL-ORGANIC FRAMEWORKS; MOLECULAR-DYNAMICS SIMULATIONS; EQUIMOLAR CO2 CAPTURE; ZEOLITIC IMIDAZOLATE FRAMEWORKS; GAS SEPARATION MEMBRANES; ROOM-TEMPERATURE; HIGH-CAPACITY; FLUE-GAS; MESOPOROUS SILICA; ABSORPTION AB CO2 capture and storage (CCS) has attracted worldwide interest because CO2 makes a significant contribution to global warming and climate change as a major greenhouse gas. Ionic liquids are promising absorbents for carbon capture due to their negligible vapour pressures, wide liquid range, high thermal stabilities and tunable properties. This perspective review focuses on the recent advances in chemical absorption of CO2 using functionalized ionic liquids, including amino acid-based ionic liquids, azole-based ionic liquids, phenol-based ionic liquids, and so on. Strategies for how to enhance CO2 absorption capacity, reduce CO2 absorption enthalpy, and improve CO2 absorption kinetics are presented. The absorption mechanisms of these functionalized ionic liquids are explained at the molecular level through a combination of theoretical calculation and spectroscopic investigation. Particular attention is paid to the latest developments in carbon capture by non-amino anion-functionalized ionic liquids. In the last section, future directions and prospects for CO2 capture by functionalized ionic liquids are outlined. C1 [Wang, Congmin; Luo, Xiaoyan; Cui, Guokai; Li, Haoran] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China. [Zhu, Xiang; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Zhu, Xiang] East Chinese Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China. [Jiang, De-en; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Deng, Dongshun] Zhejiang Univ, Coll Chem Engn & Mat Sci, Hangzhou 310014, Zhejiang, Peoples R China. RP Wang, CM (reprint author), Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China. EM chewcm@zju.edu.cn; dais@ornl.gov RI Jiang, De-en/D-9529-2011; Zhu, Xiang/P-6867-2014; Cui, Guokai/A-2393-2015; Dai, Sheng/K-8411-2015 OI Jiang, De-en/0000-0001-5167-0731; Zhu, Xiang/0000-0002-3973-4998; Cui, Guokai/0000-0002-7223-2869; Dai, Sheng/0000-0002-8046-3931 FU National Natural Science Foundation of China [20976151, 21176205]; Zhejiang Provincial Natural Science Foundation of China [LR12B06002, Y4100699]; Fundamental Research Funds of the Central Universities; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U. S. Department of Energy FX CMW, XYL, GKC, and HRL were supported by the National Natural Science Foundation of China (no. 20976151, no. 21176205), the Zhejiang Provincial Natural Science Foundation of China (LR12B06002, Y4100699) and the Fundamental Research Funds of the Central Universities. XZ, DJ and SD gratefully acknowledge the support of the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U. S. Department of Energy. NR 123 TC 47 Z9 49 U1 12 U2 263 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 36 BP 15518 EP 15527 DI 10.1039/c3ra42366b PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 203DW UT WOS:000323271700001 ER PT J AU He, QP Joy, DC Keffer, DJ AF He, Qianping Joy, David C. Keffer, David J. TI Impact of oxidation on nanoparticle adhesion to carbon substrates SO RSC ADVANCES LA English DT Article ID MEMBRANE FUEL-CELLS; MOLECULAR-DYNAMICS SIMULATIONS; POLYMER ELECTROLYTE MEMBRANE; SUPPORTED PLATINUM CATALYST; METAL PRECURSOR; GRAPHITE OXIDE; CO OXIDATION; CORROSION; EXCHANGE; NAFION AB Carbon supported platinum (Pt/C) catalysts are of vital importance to today's fine chemical industry. However, both Pt and its carbon support surface undergo oxidation during operation. There is a lack of information on how surface oxidation affects the durability of Pt/C catalysts. In this study, we report the impact of oxidation of Pt/C on the binding energy and nanoparticle adhesion force. Classic molecular dynamics simulations are performed on systems containing PtO nanoparticles of 4 nm and graphite surfaces oxidized with either epoxy or hydroxyl groups at several oxidation extents (10%, 25% and 50%). Appropriate for service in polymer electrolyte membrane fuel cells (PEMFC), the effect of a thin Nafion film (1 nm thick) at different hydration levels (lambda = 3, 6, 9 and 15) is also included in the system to study the impact of oxidation on the interface structure of the electrolyte and the electrode. This study shows that the adhesion of both the Nafion film and the PtO nanoparticle is drastically affected by the type and degree of oxidation on the carbon surface. The oxidation with hydroxyl groups on the graphite surface enhanced the binding energy between the polymer electrolyte and the carbon electrode, while oxidation with the epoxy group beyond a certain amount caused delamination of the film. The adhesion of the PtO nanoparticle was similarly enhanced by the hydroxylated surface and diminished by the epoxidized surface. The binding energies and adhesive forces are reported for all systems studied. C1 [He, Qianping] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Joy, David C.; Keffer, David J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Joy, David C.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. RP Keffer, DJ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM dkeffer@utk.edu RI Keffer, David/C-5133-2014 OI Keffer, David/0000-0002-6246-0286 FU National Science Foundation [DGE-0801470, OCI 07-11134.5] FX This research was supported by a grant from the National Science Foundation (DGE-0801470). This research project used resources of the National Institute for Computational Sciences (NICS) supported by NSF under agreement number: OCI 07-11134.5. NR 73 TC 5 Z9 5 U1 6 U2 40 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 36 BP 15792 EP 15804 DI 10.1039/c3ra42767f PG 13 WC Chemistry, Multidisciplinary SC Chemistry GA 203DW UT WOS:000323271700039 ER PT J AU Wang, ZG Niu, XY Xiao, J Wang, CM Liu, J Gao, F AF Wang, Zhiguo Niu, Xinyue Xiao, Jie Wang, Chongmin Liu, Jun Gao, Fei TI First principles prediction of nitrogen-doped carbon nanotubes as a high-performance cathode for Li-S batteries SO RSC ADVANCES LA English DT Article ID LITHIUM-SULFUR BATTERIES; ION BATTERIES; HIGH-CAPACITY; GRAPHENE; ENERGY; COMPOSITE; DIFFUSION; STORAGE AB The insulating nature of sulfur and the solubility of polysulfide in an organic electrolyte are two main factors that limit the application of lithium sulfur (Li-S) battery systems. Enhancement of Li conductivity, identification of a strong adsorption agent for polysulfides and the improvement of the whole sulfur-based electrode are of great technological importance. The diffusion of Li atoms in the outer-wall, inner-wall and inter-wall spaces in nitrogen-doped double-walled carbon nanotubes (CNTs) and penetrations of Li and S atoms through the walls are studied using density functional theory. We find that N-doping does not alter the diffusion behavior of Li atoms throughout the CNTs, but the energy barrier for Li atoms to penetrate the wall is greatly decreased by N-doping (from similar to 9.0 eV to similar to 1.0 eV). On the other hand, the energy barrier for S atoms to penetrate the wall remains very high, which is caused by the formation of chemical bonds between S and nearby N atoms. The results indicate that Li atoms are able to diffuse freely, whereas S atoms can be encapsulated inside the N-doped CNTs, suggesting that the N-doped CNTs can be potentially used in high performance Li-S batteries. C1 [Wang, Zhiguo; Niu, Xinyue] Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. [Xiao, Jie; Wang, Chongmin; Liu, Jun; Gao, Fei] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wang, ZG (reprint author), Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. EM zgwang@uestc.edu.cn; fei.gao@pnnl.gov RI Wang, Zhiguo/B-7132-2009 FU Young Scientists Foundation of Sichuan [09ZQ026-029]; Laboratory Directed Research and Development (LDRD) program; Chemical Imaging Initiative of the Pacific Northwest National Laboratory (PNNL); U.S. Department of Energy's Office of Biological and Environmental Research FX Z. Wang was financially supported by the Young Scientists Foundation of Sichuan (09ZQ026-029). Chongmin Wang was supported by Laboratory Directed Research and Development (LDRD) program funded by the Chemical Imaging Initiative of the Pacific Northwest National Laboratory (PNNL). A portion of this research was performed using the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research, located at Pacific Northwest National Laboratory and operated for DOE by Battelle. NR 41 TC 28 Z9 28 U1 17 U2 165 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2013 VL 3 IS 37 BP 16775 EP 16780 DI 10.1039/c3ra41333k PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 210OJ UT WOS:000323842900076 ER PT J AU Kouri, DP Heinkenschloss, M Ridzal, D Waanders, BGV AF Kouri, D. P. Heinkenschloss, M. Ridzal, D. Waanders, B. G. van Bloemen TI A TRUST-REGION ALGORITHM WITH ADAPTIVE STOCHASTIC COLLOCATION FOR PDE OPTIMIZATION UNDER UNCERTAINTY SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE PDE optimization; uncertainty; stochastic collocation; trust regions; sparse grids; adaptivity ID PARTIAL-DIFFERENTIAL-EQUATIONS; RANDOM INPUT DATA; FINITE-ELEMENT-METHOD; HELMHOLTZ-EQUATION; SPARSE GRIDS; INTERFACE PROBLEMS; SMOLYAK CUBATURE; BOUNDARY-CONTROL; COEFFICIENTS; INTEGRATION AB The numerical solution of optimization problems governed by partial differential equations (PDEs) with random coefficients is computationally challenging because of the large number of deterministic PDE solves required at each optimization iteration. This paper introduces an efficient algorithm for solving such problems based on a combination of adaptive sparse-grid collocation for the discretization of the PDE in the stochastic space and a trust-region framework for optimization and fidelity management of the stochastic discretization. The overall algorithm adapts the collocation points based on the progress of the optimization algorithm and the impact of the random variables on the solution of the optimization problem. It frequently uses few collocation points initially and increases the number of collocation points only as necessary, thereby keeping the number of deterministic PDE solves low while guaranteeing convergence. Currently an error indicator is used to estimate gradient errors due to adaptive stochastic collocation. The algorithm is applied to three examples, and the numerical results demonstrate a significant reduction in the total number of PDE solves required to obtain an optimal solution when compared with a Newton conjugate gradient algorithm applied to a fixed high-fidelity discretization of the optimization problem. C1 [Kouri, D. P.] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Heinkenschloss, M.] Rice Univ, Dept Computat & Appl Math, Houston, TX 77005 USA. [Ridzal, D.; Waanders, B. G. van Bloemen] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kouri, DP (reprint author), Argonne Natl Lab, Math & Comp Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dpkouri@mcs.anl.gov; heinken@rice.edu; dridzal@sandia.gov; bartv@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] 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 U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 72 TC 3 Z9 3 U1 0 U2 6 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 4 BP A1847 EP A1879 DI 10.1137/120892362 PG 33 WC Mathematics, Applied SC Mathematics GA 211FY UT WOS:000323892500004 ER PT J AU Pisciuneri, PH Yilmaz, SL Strakey, PA Givi, P AF Pisciuneri, P. H. Yilmaz, S. L. Strakey, P. A. Givi, P. TI AN IRREGULARLY PORTIONED FDF SIMULATOR SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE large eddy simulation; Lagrangian/Eulerian simulation; turbulent combustion; filtered density function; domain decomposition; massive parallelization ID LARGE-EDDY SIMULATION; FILTERED DENSITY-FUNCTION; SITU ADAPTIVE TABULATION; TURBULENT REACTIVE FLOWS; COMPUTATIONALLY-EFFICIENT; COMBUSTION; CHEMISTRY; ISAT; IMPLEMENTATION; FLAMES AB A new computational methodology, termed "irregularly portioned Lagrangian Monte Carlo-finite difference" (IPLMCFD), is developed for large eddy simulation (LES) of turbulent combustion via the filtered density function (FDF). This is a hybrid methodology which couples a Monte Carlo FDF simulator with a structured Eulerian finite difference LES solver. The IPLMCFD is scalable to thousands of processors; thus it is suited for simulation of complex reactive flows. The scalability and consistency of the hybrid solver and the realizability and reliability of the generated results are demonstrated via LES of several turbulent flames under both nonpremixed and premixed conditions. C1 [Pisciuneri, P. H.; Givi, P.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Yilmaz, S. L.] Univ Pittsburgh, Ctr Simulat & Modeling, Pittsburgh, PA 15260 USA. [Strakey, P. A.] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Pisciuneri, PH (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. EM php8@pitt.edu; slyilmaz@pitt.edu; peter.strakey@netl.doe.gov; peg10@pitt.edu FU DOE-RES [DE-FE0004000]; AFOSR [FA9550-12-1-0057]; NASA [FA9550-09-1-0611]; NSF [CBET-1250171]; NSF Extreme Science and Engineering Discovery Environment (XSEDE) [TG-CTS070055N, TG-CTS120015]; University of Pittsburgh Center for Simulation and Modeling; Department of Energy, National Energy Technology Laboratory, an agency of the United States Government; URS Energy & Construction, Inc. FX As part of the National Energy Technology Laboratory's Regional University Alliance (NETL-RUA), a collaborative initiative of the NETL, this technical effort was performed under the DOE-RES Contract DE-FE0004000. Additional support for the work at the University of Pittsburgh is provided by AFOSR and NASA under Grant FA9550-09-1-0611, by AFOSR under Grant FA9550-12-1-0057, by NSF under Grant CBET-1250171, by the NSF Extreme Science and Engineering Discovery Environment (XSEDE) under Grants TG-CTS070055N & TG-CTS120015; and by the University of Pittsburgh Center for Simulation and Modeling. This project was partially funded by the Department of Energy, National Energy Technology Laboratory, an agency of the United States Government, through a support contract with URS Energy & Construction, Inc. Neither the United States Government nor any agency thereof, nor any of their employees, nor URS Energy & Construction, Inc., nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 43 TC 3 Z9 3 U1 1 U2 5 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 4 BP C438 EP C452 DI 10.1137/130911512 PG 15 WC Mathematics, Applied SC Mathematics GA 211FY UT WOS:000323892500027 ER PT J AU Robey, RN Nicholaeff, D Robey, RW AF Robey, Rachel N. Nicholaeff, David Robey, Robert W. TI HASH-BASED ALGORITHMS FOR DISCRETIZED DATA SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE hash-based algorithms; sorting; neighbor calculation; remap; general purpose graphics processing units; mesh algorithms ID PARALLEL ALGORITHMS; GPU AB We explore the idea that all mesh operations in numerical methods can be implemented with efficient hash-based algorithms. The hash-based methods are presented with a view toward highly parallel implementations on both the CPU and GPU. A general set of applications, including sorting, neighbor calculation, remapping, and table look-up, demonstrate the practical value and several orders of magnitude speed-up of hash-based implementations. C1 [Robey, Rachel N.] Univ Colorado, Boulder, CO 80310 USA. [Robey, Rachel N.] Los Alamos Natl Lab, EES Computat Earth Sci 16, Los Alamos, NM 87545 USA. [Nicholaeff, David; Robey, Robert W.] Los Alamos Natl Lab, XCP Eulerian Codes 2, Los Alamos, NM 87545 USA. RP Robey, RN (reprint author), Univ Colorado, Boulder, CO 80310 USA. EM rnrobey@gmail.com; dnic@lanl.gov; brobey@lanl.gov FU U.S. Department of Energy [DE-AC52-06NA25396] FX Thanks go for the use of the Darwin compute cluster in LANL CCS-7 and to Marcus Daniels for debugging beyond the call of caffeine and his declaration of truth that solves the most obscure of bugs. Los Alamos National Laboratory is operated by Los Alamos National Security for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 33 TC 1 Z9 1 U1 0 U2 4 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2013 VL 35 IS 4 BP C346 EP C368 DI 10.1137/120873686 PG 23 WC Mathematics, Applied SC Mathematics GA 211FY UT WOS:000323892500023 ER PT J AU Hua, FJ Yuan, WZ Britt, PF Mays, JW Hong, KL AF Hua, Fengjun Yuan, Weizhong Britt, Phillip F. Mays, Jimmy W. Hong, Kunlun TI Temperature-induced phase-transitions of methoxyoligo(oxyethylene) styrene-based block copolymers in aqueous solution SO SOFT MATTER LA English DT Article ID MEDIATED RADICAL POLYMERIZATION; DIBLOCK COPOLYMERS; DRUG-DELIVERY; RESPONSIVE POLYMERS; GRAFT-COPOLYMERS; SELF-ASSOCIATION; PH; ARCHITECTURE; LCST; POLYSTYRENICS AB Novel well-defined diblock copolymers based upon styrene substituted with pendant methoxyoligo(oxyethylene) groups (4-CH3O(EO)(4)St, TrEGS) were prepared by sequential atom transfer radical polymerization. Polystyrene (PS) was synthesized as the first block in the copolymer using (1-bromoethyl)benzene as the initiator. This was followed by growth of a second block composed of PTrEGS. Each copolymer exhibits a lower critical solution temperature (LCST) in aqueous solution, and the LCST depends on the length of the PTrEGS block and the copolymer composition. Longer PTrEGS chains result in higher LCST values in aqueous solutions. The cloud points (T(c)s) of PS-b-PTrEGS copolymers are lower than that of PTrEGS homopolymer as determined by UV-visible spectroscopy. Variable-temperature NMR spectra show that the intensity of proton signals from oxyethylene groups dramatically decreases at temperatures above the cloud point, indicating phase transition due to hydrogen bonding changes. Dynamic light scattering (DLS) measurements indicate that micelles are formed, where the PS backbone serves as the core at 25 degrees C. Each of these block copolymer solutions transformed from transparent bluish solutions to white gels above certain concentrations (>= 10 wt%) and temperatures (lower critical gelation temperature, LCGT). The gelation process is thermally reversible, implying physical crosslinking through hydrophobic interactions. C1 [Hua, Fengjun; Yuan, Weizhong; Hong, Kunlun] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Yuan, Weizhong] Tongji Univ, Sch Mat Sci & Engn, Inst Nano & Biopolymer Mat, Shanghai 201804, Peoples R China. [Yuan, Weizhong] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Britt, Phillip F.; Mays, Jimmy W.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Mays, Jimmy W.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Hong, KL (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM yuanwz@tongji.edu.cn; hongkq@ornl.gov RI Hong, Kunlun/E-9787-2015 OI Hong, Kunlun/0000-0002-2852-5111 FU ORNL by the Division of Scientific User Facilities, U.S. Department of Energy; Department of Energy [NA-22] FX This research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at ORNL by the Division of Scientific User Facilities, U.S. Department of Energy. We also acknowledge the partial funding of this work through the support of Department of Energy NA-22 program. NR 41 TC 6 Z9 6 U1 0 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 37 BP 8897 EP 8903 DI 10.1039/c3sm51208h PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 210OW UT WOS:000323844600013 ER PT J AU Singh, S Junghans, A Tian, JH Dubey, M Gnanakaran, S Chlistunoff, J Majewski, J AF Singh, Saurabh Junghans, Ann Tian, Jianhui Dubey, Manish Gnanakaran, S. Chlistunoff, Jerzy Majewski, Jaroslaw TI Polyelectrolyte multilayers as a platform for pH-responsive lipid bilayers SO SOFT MATTER LA English DT Article ID MOLECULAR-DYNAMICS METHOD; NEUTRON REFLECTOMETRY; FORCE-FIELD; MEMBRANES; PROTEIN; SIMULATIONS; ADSORPTION; POLYMER; NANOTECHNOLOGY; SPECTROSCOPY AB A robust and simple method for the preparation of pH-responsive lipid membranes is reported. Polymeric cushions to support a lipid bilayer were obtained by performing layer-by-layer deposition of a polycation (polyethylene imine [PEI]) and a polyanion (polystyrene sulfonate [PSS]) on quartz, with PEI as a capping layer. Subsequently, a model membrane was obtained by depositing a DPPE bilayer using Langmuir-Blodgett and Langmuir-Schafer technique. Structural characterization using Neutron Reflectivity revealed that the separation distance between the polymeric cushion and the DPPE bilayer can be reversibly adjusted by varying the pH of the aqueous environment. These observations were further supported by Electrochemical Impedance Spectroscopy measurements. Molecular dynamics simulations suggest that coulombic forces play a key role in affecting the separation distances between the polymeric support and the lipid bilayer. Similar pH-dependent behavior was also recorded for a DPPC bilayer. We believe that this novel system offers great potential for fundamental biophysical studies of membrane properties decoupled from the underlying solid support. C1 [Singh, Saurabh; Junghans, Ann; Dubey, Manish; Majewski, Jaroslaw] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Tian, Jianhui; Gnanakaran, S.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. [Chlistunoff, Jerzy] Los Alamos Natl Lab, MPA 11, Los Alamos, NM 87545 USA. RP Singh, S (reprint author), Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, POB 1663, Los Alamos, NM 87545 USA. EM saurabh@lanl.gov; jarek@lanl.gov RI singh, saurabh/A-6119-2010; Tian, Jianhui/F-7477-2014; Junghans, Ann/A-4257-2011; OI Junghans, Ann/0000-0001-7061-4663; Gnanakaran, S/0000-0002-9368-3044 FU DOE Office of Basic Energy Sciences; Los Alamos National Laboratory under DOE Contract [DE-AC52-06NA25396] FX We would like to extend our gratitude to Dr Jose-Maria Sansinena from LANL for fruitful discussions on EIS. This work benefited from the use of the Lujan Neutron Scattering Center at Los Alamos Neutron Science Center funded by the DOE Office of Basic Energy Sciences and Los Alamos National Laboratory under DOE Contract DE-AC52-06NA25396. NR 58 TC 10 Z9 10 U1 4 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X J9 SOFT MATTER JI Soft Matter PY 2013 VL 9 IS 37 BP 8938 EP 8948 DI 10.1039/c3sm51651b PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 210OW UT WOS:000323844600018 ER PT J AU Saeki, T Maksyutov, S Saito, M Valsala, V Oda, T Andres, RJ Belikov, D Tans, P Dlugokencky, E Yoshida, Y Morino, I Uchino, O Yokota, T AF Saeki, T. Maksyutov, S. Saito, M. Valsala, V. Oda, T. Andres, R. J. Belikov, D. Tans, P. Dlugokencky, E. Yoshida, Y. Morino, I. Uchino, O. Yokota, T. TI Inverse Modeling of CO2 Fluxes Using GOSAT Data and Multi-Year Ground-Based Observations SO SOLA LA English DT Article ID GASES OBSERVING SATELLITE; CARBON-DIOXIDE; RETRIEVAL ALGORITHM; VALIDATION; SPECTROMETER; ASSIMILATION; ECOSYSTEMS; METHANE; BUDGET; SINKS AB We present surface CO2 flux estimates obtained by an inverse modeling analysis from column-averaged dry air mole fractions of CO2 (XCO2) observed by the Greenhouse gases Observing SATellite (GOSAT) and ground-based data. Two inversion cases were examined: 1) a decadal inversion using ground-based CO2 observations by NOAA from 1999 to 2010 to derive CO2 flux interannual variability, and 2) an inversion using NOAA plus NIES GOSAT XCO2 data from June 2009 to October 2010. We used single-shot GOSAT data and individual NOAA flask data for the inversions. Our results show differences in estimated fluxes between the NOAA data inversion and the NOAA plus GOSAT data inversion, especially in Northern Eurasia and in Equatorial Africa and America where the ground-based observational sites were sparse. Uncertainty reduction rates of 40%-70% were achieved by inclusion of GOSAT data, compared to the case using just the NOAA data. The inclusion of GOSAT data in the inversion resulted in larger summer sinks in northwest Boreal Eurasia and a smaller summer sink in southeast Boreal Eurasia, with a clear uncertainty reduction in both regions. Adding GOSAT data also led to increase in Tropical African fluxes in boreal winter beyond interannual variability from NOAA data inversions. C1 [Saeki, T.; Maksyutov, S.; Belikov, D.; Yoshida, Y.; Morino, I.; Uchino, O.; Yokota, T.] Natl Inst Environm Studies, Tsukuba, Ibaraki 3058506, Japan. [Saito, M.] Lab Sci Climat & Environm, Gif Sur Yvette, France. [Valsala, V.] Indian Inst Trop Meteorol, Pune, Maharashtra, India. [Oda, T.] Colorado State Univ, Ft Collins, CO 80523 USA. [Oda, T.; Tans, P.; Dlugokencky, E.] NOAA, Global Monitoring Div, Earth Syst Res Lab, Boulder, CO USA. [Andres, R. J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Belikov, D.] Natl Inst Polar Res, Tokyo, Japan. RP Saeki, T (reprint author), Natl Inst Environm Studies, Ctr Global Environm Res, 16-2 Onogawa, Tsukuba, Ibaraki 3058506, Japan. EM saeki.tazu@nies.go.jp RI Morino, Isamu/K-1033-2014; Maksyutov, Shamil/G-6494-2011; Belikov, Dmitry/I-9877-2016; OI Morino, Isamu/0000-0003-2720-1569; Maksyutov, Shamil/0000-0002-1200-9577; ANDRES, ROBERT/0000-0001-8781-4979 FU Japan Aerospace Exploration Agency; National Institute for Environmental Studies; Japanese Ministry of the Environment; U.S. Department of Energy, Office of Science, Biological and Environmental Research (BER) programs; U.S. Department of Energy [DE-AC05-00OR22725] FX The GOSAT Project is a joint undertaking of three organizations: the Japan Aerospace Exploration Agency, the National Institute for Environmental Studies, and the Japanese Ministry of the Environment. The authors would like to thank T. Takagi at NIES and Advance Soft Corp., and the members of the GOSAT Project for their contribution to this work. The model simulations were performed with the GOSAT Research Computation Facility (GOSAT RCF). We thank K. Hiraki, the administrator of the RCF, for his support. RJA was sponsored by U.S. Department of Energy, Office of Science, Biological and Environmental Research (BER) programs and performed at Oak Ridge National Laboratory (ORNL) under U.S. Department of Energy contract DE-AC05-00OR22725. NR 35 TC 11 Z9 11 U1 1 U2 15 PU METEOROLOGICAL SOC JPN PI TOKYO PA C/O JPN METEOROL AGENCY 1-3-4 OTE-MACHI, CHIYODA-KU, TOKYO, 100-0004, JAPAN SN 1349-6476 J9 SOLA JI SOLA PY 2013 VL 9 BP 45 EP 50 DI 10.2151/sola.2013-011 PG 6 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 203TT UT WOS:000323317100011 ER PT J AU Liolos, K Abt, B Scheuner, C Teshima, H Held, B Lapidus, A Nolan, M Lucas, S Deshpande, S Cheng, JF Tapia, R Goodwin, LA Pitluck, S Pagani, I Ivanova, N Mavromatis, K Mikhailova, N Huntemann, M Pati, A Chen, A Palaniappan, K Land, M Rohde, M Tindall, BJ Detter, JC Goker, M Bristow, J Eisen, JA Markowitz, V Hugenholtz, P Woyke, T Klenk, HP Kyrpides, NC AF Liolos, Konstantinos Abt, Birte Scheuner, Carmen Teshima, Hazuki Held, Brittany Lapidus, Alla Nolan, Matt Lucas, Susan Deshpande, Shweta Cheng, Jan-Fang Tapia, Roxanne Goodwin, Lynne A. Pitluck, Sam Pagani, Ioanna Ivanova, Natalia Mavromatis, Konstantinos Mikhailova, Natalia Huntemann, Marcel Pati, Amrita Chen, Amy Palaniappan, Krishna Land, Miriam Rohde, Manfred Tindall, Brian J. Detter, John C. Goeker, Markus Bristow, James Eisen, Jonathan A. Markowitz, Victor Hugenholtz, Philip Woyke, Tanja Klenk, Hans-Peter Kyrpides, Nikos C. TI Complete genome sequence of the halophilic bacterium Spirochaeta africana type strain (Z-7692(T)) from the alkaline Lake Magadi in the East African Rift SO STANDARDS IN GENOMIC SCIENCES LA English DT Article DE anaerobic; aerotolerant; mesophilic; halophilic; spiral-shaped; motile; periplasmic flagella; Gram-negative; chemoorganotrophic; Spirochaetaceae; GEBA ID STANDARD OPERATING PROCEDURE; ARCHAEA; CLASSIFICATION; NOMENCLATURE; ALGORITHM; DATABASE; SYSTEM; GRAPHS; NAMES; TOOL AB Spirochaeta africana Zhilina et al. 1996 is an anaerobic, aerotolerant, spiral-shaped bacterium that is motile via periplasmic flagella. The type strain of the species, Z-7692(T), was isolated in 1993 or earlier from a bacterial bloom in the brine under the trona layer in a shallow lagoon of the alkaline equatorial Lake Magadi in Kenya. Here we describe the features of this organism, together with the complete genome sequence, and annotation. Considering the pending reclassification of S. caldaria to the genus Treponema, S. africana is only the second 'true' member of the genus Spirochaeta with a genome-sequenced type strain to be published. The 3,285,855 bp long genome of strain Z-7692(T) with its 2,817 protein-coding and 57 RNA genes is a part of the Genomic Encyclopedia of Bacteria and Archaea project. C1 [Liolos, Konstantinos; Lapidus, Alla; Nolan, Matt; Lucas, Susan; Deshpande, Shweta; Cheng, Jan-Fang; Tapia, Roxanne; Goodwin, Lynne A.; Pitluck, Sam; Pagani, Ioanna; Ivanova, Natalia; Mavromatis, Konstantinos; Mikhailova, Natalia; Huntemann, Marcel; Pati, Amrita; Land, Miriam; Bristow, James; Eisen, Jonathan A.; Hugenholtz, Philip; Woyke, Tanja; Kyrpides, Nikos C.] DOE Joint Genome Inst, Walnut Creek, CA USA. [Abt, Birte; Scheuner, Carmen; Tindall, Brian J.; Goeker, Markus; Klenk, Hans-Peter] Leibniz Inst DSMZ, German Collect Microorganisms & Cell Cultures, Braunschweig, Germany. [Teshima, Hazuki; Held, Brittany; Tapia, Roxanne; Goodwin, Lynne A.; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. [Chen, Amy; Palaniappan, Krishna; Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA. [Land, Miriam] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany. [Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA. [Hugenholtz, Philip] Univ Queensland, Sch Chem & Mol Biosci, Australian Ctr Ecogen, Brisbane, Qld, Australia. RP Klenk, HP (reprint author), Leibniz Inst DSMZ, German Collect Microorganisms & Cell Cultures, Braunschweig, Germany. RI Land, Miriam/A-6200-2011; Kyrpides, Nikos/A-6305-2014; Lapidus, Alla/I-4348-2013; OI Land, Miriam/0000-0001-7102-0031; Kyrpides, Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731; Eisen, Jonathan A./0000-0002-0159-2197 FU US Department of Energy's Office of Science, Biological and Environmental Research Program; University of California, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396]; UT-Battelle and Oak Ridge National Laboratory [DE-AC05-00OR22725]; German Research Foundation (DFG) [INST 599/1-2] FX We would like to gratefully acknowledge the help of Helga Pomrenke for growing S. africana cultures and Evelyne-Marie Brambilla for DNA extraction and quality control (both at DSMZ). This work was performed under the auspices of the US Department of Energy's Office of Science, Biological and Environmental Research Program, and by the University of California, Lawrence Berkeley National Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract No. DE-AC02-06NA25396, UT-Battelle and Oak Ridge National Laboratory under contract DE-AC05-00OR22725, as well as German Research Foundation (DFG) INST 599/1-2. NR 46 TC 2 Z9 2 U1 0 U2 3 PU GENOMIC STAND CONSORT PI EAST LANSING PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS SCI BLDG, EAST LANSING, MI 48824 USA SN 1944-3277 J9 STAND GENOMIC SCI JI Stand. Genomic Sci. PY 2013 VL 8 IS 2 BP 165 EP 176 DI 10.4056/sigs.3607108 PG 12 WC Genetics & Heredity; Microbiology SC Genetics & Heredity; Microbiology GA 203XC UT WOS:000323326900001 PM 23991249 ER PT J AU Huntemann, M Stackebrandt, E Held, B Nolan, M Lucas, S Hammon, N Deshpande, S Cheng, JF Tapia, R Goodwin, LA Pitluck, S Liolios, K Pagani, I Ivanova, N Mavromatis, K Mikhailova, N Pati, A Chen, A Palaniappan, K Land, M Rohde, M Gronow, S Goker, M Detter, JC Bristow, J Eisen, JA Markowitz, V Woyke, T Hugenholtz, P Kyrpides, NC Klenk, HP Lapidus, A AF Huntemann, Marcel Stackebrandt, Erko Held, Brittany Nolan, Matt Lucas, Susan Hammon, Nancy Deshpande, Shweta Cheng, Jan-Fang Tapia, Roxanne Goodwin, Lynne A. Pitluck, Sam Liolios, Konstantinos Pagani, Ioanna Ivanova, Natalia Mavromatis, Konstantinos Mikhailova, Natalia Pati, Amrita Chen, Amy Palaniappan, Krishna Land, Miriam Rohde, Manfred Gronow, Sabine Goeker, Markus Detter, John C. Bristow, James Eisen, Jonathan A. Markowitz, Victor Woyke, Tanja Hugenholtz, Philip Kyrpides, Nikos C. Klenk, Hans-Peter Lapidus, Alla TI Genome sequence of the phylogenetically isolated spirochete Leptonema illini type strain (3055(T)) SO STANDARDS IN GENOMIC SCIENCES LA English DT Article DE Gram-negative; flexible; motile; cytoplasmatic tubules; non-sporulating; axial flagella; aerobic; chemoorganotrophic; Leptospiraceae; GEBA ID LEPTOSPIRA-ILLINI; BACTERIA; RECLASSIFICATION; TREPONEMA; ARCHAEA; FAMILY; NOV; CLASSIFICATION; IDENTIFICATION; HYBRIDIZATION AB Leptonema illini Hovind-Hougen 1979 is the type species of the genus Leptonema, family Leptospiraceae, phylum Spirochaetes. Organisms of this family have a Gram-negative-like cell envelope consisting of a cytoplasmic membrane and an outer membrane. The peptidoglycan layer is associated with the cytoplasmic rather than the outer membrane. The two flagella of members of Leptospiraceae extend from the cytoplasmic membrane at the ends of the bacteria into the periplasmic space and are necessary for their motility. Here we describe the features of the L. illini type strain, together with the complete genome sequence, and annotation. This is the first genome sequence (finished at the level of Improved High Quality Draft) to be reported from of a member of the genus Leptonema and a representative of the third genus of the family Leptospiraceae for which complete or draft genome sequences are now available. The three scaffolds of the 4,522,760 bp draft genome sequence reported here, and its 4,230 protein-coding and 47 RNA genes are part of the Genomic Encyclopedia of Bacteria and Archaea project. C1 [Huntemann, Marcel; Held, Brittany; Nolan, Matt; Lucas, Susan; Hammon, Nancy; Deshpande, Shweta; Cheng, Jan-Fang; Tapia, Roxanne; Goodwin, Lynne A.; Pitluck, Sam; Liolios, Konstantinos; Pagani, Ioanna; Ivanova, Natalia; Mavromatis, Konstantinos; Mikhailova, Natalia; Pati, Amrita; Land, Miriam; Bristow, James; Eisen, Jonathan A.; Woyke, Tanja; Hugenholtz, Philip; Kyrpides, Nikos C.; Lapidus, Alla] DOE Joint Genome Inst, Walnut Creek, CA USA. [Stackebrandt, Erko; Gronow, Sabine; Goeker, Markus; Klenk, Hans-Peter] Leibniz Inst DSMZ, German Collect Microorganisms & Cell Cultures, Braunschweig, Germany. [Held, Brittany; Tapia, Roxanne; Goodwin, Lynne A.; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. [Chen, Amy; Palaniappan, Krishna; Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol, Berkeley, CA 94720 USA. [Land, Miriam] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany. [Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA. [Hugenholtz, Philip] Univ Queensland, Sch Chem & Mol Biosci, Australian Ctr Ecogen, Brisbane, Qld, Australia. RP Klenk, HP (reprint author), Leibniz Inst DSMZ, German Collect Microorganisms & Cell Cultures, Braunschweig, Germany. RI Land, Miriam/A-6200-2011; Kyrpides, Nikos/A-6305-2014; Lapidus, Alla/I-4348-2013; OI Land, Miriam/0000-0001-7102-0031; Kyrpides, Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731; Eisen, Jonathan A./0000-0002-0159-2197 FU US Department of Energy Office of Science, Biological and Environmental Research Program; University of California, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396]; UT-Battelle; Oak Ridge National Laboratory [DE-AC05-00OR22725] FX We would like to gratefully acknowledge the help of Sabine Welnitz for growing L. illini cultures, and Evelyne-Marie Brambilla for DNA extraction and quality control (both at DSMZ). This work was performed under the auspices of the US Department of Energy Office of Science, Biological and Environmental Research Program, and by the University of California, Lawrence Berkeley National Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract No. DE-AC02-06NA25396, UT-Battelle and Oak Ridge National Laboratory under contract DE-AC05-00OR22725. NR 58 TC 1 Z9 1 U1 0 U2 9 PU GENOMIC STAND CONSORT PI EAST LANSING PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS SCI BLDG, EAST LANSING, MI 48824 USA SN 1944-3277 J9 STAND GENOMIC SCI JI Stand. Genomic Sci. PY 2013 VL 8 IS 2 BP 177 EP 187 DI 10.4056/sigs.3637201 PG 11 WC Genetics & Heredity; Microbiology SC Genetics & Heredity; Microbiology GA 203XC UT WOS:000323326900002 PM 23991250 ER PT J AU Challacombe, JF Majid, S Deole, R Brettin, TS Bruce, D Delano, SF Detter, JC Gleasner, CD Han, CS Misra, M Reitenga, KG Mikhailova, N Woyke, T Pitluck, S Nolan, M Land, ML Saunders, E Tapia, R Lapidus, A Ivanova, N Hoff, WD AF Challacombe, Jean F. Majid, Sophia Deole, Ratnakar Brettin, Thomas S. Bruce, David Delano, Susana F. Detter, John C. Gleasner, Cheryl D. Han, Cliff S. Misra, Monica Reitenga, Krista G. Mikhailova, Natalia Woyke, Tanja Pitluck, Sam Nolan, Matt Land, Miriam L. Saunders, Elizabeth Tapia, Roxanne Lapidus, Alla Ivanova, Natalia Hoff, Wouter D. TI Complete genome sequence of Halorhodospira halophila SL1 SO STANDARDS IN GENOMIC SCIENCES LA English DT Article DE halophile; saturated salt; sulfur metabolism; purple sulfur bacterium; phototrophic ID PHOTOACTIVE YELLOW PROTEIN; ECTOTHIORHODOSPIRA-HALOPHILA; GENUS ECTOTHIORHODOSPIRA; PHOTOTROPHIC BACTERIUM; PHOTORECEPTOR; ARCHAEON; SYSTEM; FAMILY; NRC-1; NOV AB Halorhodospira halophila is among the most halophilic organisms known. It is an obligately photosynthetic and anaerobic purple sulfur bacterium that exhibits autotrophic growth up to saturated NaCl concentrations. The type strain H. halophila SL1 was isolated from a hypersaline lake in Oregon. Here we report the determination of its entire genome in a single contig. This is the first genome of a phototrophic extreme halophile. The genome consists of 2,678,452 bp, encoding 2,493 predicted genes as determined by automated genome annotation. Of the 2,407 predicted proteins, 1,905 were assigned to a putative function. Future detailed analysis of this genome promises to yield insights into the halophilic adaptations of this organism, its ability for photoautotrophic growth under extreme conditions, and its characteristic sulfur metabolism. C1 [Challacombe, Jean F.; Brettin, Thomas S.; Bruce, David; Delano, Susana F.; Detter, John C.; Gleasner, Cheryl D.; Han, Cliff S.; Misra, Monica; Reitenga, Krista G.; Saunders, Elizabeth; Tapia, Roxanne] Los Alamos Natl Lab, Los Alamos, NM USA. [Challacombe, Jean F.; Brettin, Thomas S.; Bruce, David; Delano, Susana F.; Detter, John C.; Gleasner, Cheryl D.; Han, Cliff S.; Misra, Monica; Reitenga, Krista G.; Saunders, Elizabeth; Tapia, Roxanne] DOE Joint Genome Inst, Biosci Div, Los Alamos, NM USA. [Majid, Sophia] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. [Deole, Ratnakar; Hoff, Wouter D.] Oklahoma State Univ, Dept Microbiol & Mol Genet, Stillwater, OK 74078 USA. [Mikhailova, Natalia; Woyke, Tanja; Pitluck, Sam; Nolan, Matt; Lapidus, Alla; Ivanova, Natalia] DOE Joint Genome Inst, Walnut Creek, CA USA. [Land, Miriam L.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Mikhailova, Natalia] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Brettin, Thomas S.] Argonne Natl Lab, Argonne, IL 60439 USA. [Delano, Susana F.] Natl Secur & Intelligence, Noblis, Falls Church, VA USA. [Lapidus, Alla] Fox Chase Canc Ctr, Philadelphia, PA 19111 USA. [Deole, Ratnakar] Northeastern State Univ, Broken Arrow, OK USA. RP Hoff, WD (reprint author), Oklahoma State Univ, Dept Microbiol & Mol Genet, Stillwater, OK 74078 USA. EM jchalla@lanl.gov; wouter.hoff@okstate.edu RI Land, Miriam/A-6200-2011; Lapidus, Alla/I-4348-2013 OI Land, Miriam/0000-0001-7102-0031; Lapidus, Alla/0000-0003-0427-8731 FU US Department of Energy Office of Science, Biological and Environmental Research Program; University of California; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396]; UT-Battelle; Oak Ridge National Laboratory [DE-AC05-00OR22725] FX This work was performed under the auspices of the US Department of Energy Office of Science, Biological and Environmental Research Program, and by the University of California, Lawrence Berkeley National Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract No. DE-AC02-06NA25396, UT-Battelle, and Oak Ridge National Laboratory under contract DE-AC05-00OR22725. NR 39 TC 4 Z9 4 U1 0 U2 11 PU GENOMIC STAND CONSORT PI EAST LANSING PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS SCI BLDG, EAST LANSING, MI 48824 USA SN 1944-3277 J9 STAND GENOMIC SCI JI Stand. Genomic Sci. PY 2013 VL 8 IS 2 BP 206 EP 214 DI 10.4056/sigs.3677284 PG 9 WC Genetics & Heredity; Microbiology SC Genetics & Heredity; Microbiology GA 203XC UT WOS:000323326900005 PM 23991253 ER PT J AU Stackebrandt, E Chertkov, O Lapidus, A Nolan, M Lucas, S Hammon, N Deshpande, S Cheng, JF Tapia, R Goodwin, LA Pitluck, S Liolios, K Pagani, I Ivanova, N Mavromatis, K Mikhailova, N Huntemann, M Pati, A Chen, A Palaniappan, K Land, M Pan, CL Rohde, M Gronow, S Goker, M Detter, JC Bristow, J Eisen, JA Markowitz, V Hugenholtz, P Woyke, T Kyrpides, NC Klenk, HP AF Stackebrandt, Erko Chertkov, Olga Lapidus, Alla Nolan, Matt Lucas, Susan Hammon, Nancy Deshpande, Shweta Cheng, Jan-Fang Tapia, Roxanne Goodwin, Lynne A. Pitluck, Sam Liolios, Konstantinos Pagani, Ioanna Ivanova, Natalia Mavromatis, Konstantinos Mikhailova, Natalia Huntemann, Marcel Pati, Amrita Chen, Amy Palaniappan, Krishna Land, Miriam Pan, Chongle Rohde, Manfred Gronow, Sabine Goeker, Markus Detter, John C. Bristow, James Eisen, Jonathan A. Markowitz, Victor Hugenholtz, Philip Woyke, Tanja Kyrpides, Nikos C. Klenk, Hans-Peter TI Genome sequence of the free-living aerobic spirochete Turneriella parva type strain (H-T), and emendation of the species Turneriella parva SO STANDARDS IN GENOMIC SCIENCES LA English DT Article DE Gram-negative; motile; axial filaments; helical; flexible; non-sporulating; aerobic; mesophile; Leptospiraceae; GEBA ID FAMILY LEPTOSPIRACEAE; BACTERIA; NOV; RECLASSIFICATION; ARCHAEA; SYSTEM; CLASSIFICATION; PHYLOGENY; ALGORITHM; TREPONEMA AB Turneriella parva Levett et al. 2005 is the only species of the genus Turneriella which was established as a result of the reclassification of Leptospira parva Hovind-Hougen et al. 1982. Together with Leptonema and Leptospira, Turneriella constitutes the family Leptospiraceae, within the order Spirochaetales. Here we describe the features of this free-living aerobic spirochete together with the complete genome sequence and annotation. This is the first complete genome sequence of a member of the genus Turneriella and the 13th member of the family Leptospiraceae for which a complete or draft genome sequence is now available. The 4,409,302 bp long genome with its 4,169 protein-coding and 45 RNA genes is part of the Genomic Encyclopedia of Bacteria and Archaea project. C1 [Stackebrandt, Erko; Gronow, Sabine; Goeker, Markus; Klenk, Hans-Peter] Leibniz Inst DSMZ, German Collect Microorganisms & Cell Cultures, Braunschweig, Germany. [Chertkov, Olga; Tapia, Roxanne; Goodwin, Lynne A.; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. [Chertkov, Olga; Lapidus, Alla; Nolan, Matt; Lucas, Susan; Hammon, Nancy; Deshpande, Shweta; Cheng, Jan-Fang; Tapia, Roxanne; Goodwin, Lynne A.; Pitluck, Sam; Liolios, Konstantinos; Pagani, Ioanna; Ivanova, Natalia; Mavromatis, Konstantinos; Mikhailova, Natalia; Huntemann, Marcel; Pati, Amrita; Land, Miriam; Pan, Chongle; Bristow, James; Hugenholtz, Philip; Woyke, Tanja; Kyrpides, Nikos C.] DOE Joint Genome Inst, Walnut Creek, CA USA. [Chen, Amy; Palaniappan, Krishna; Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA. [Land, Miriam; Pan, Chongle] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany. [Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA. [Hugenholtz, Philip] Univ Queensland, Sch Chem & Mol Biosci, Australian Ctr Ecogen, Brisbane, Qld, Australia. RP Klenk, HP (reprint author), Leibniz Inst DSMZ, German Collect Microorganisms & Cell Cultures, Braunschweig, Germany. RI Land, Miriam/A-6200-2011; Kyrpides, Nikos/A-6305-2014; Lapidus, Alla/I-4348-2013; OI Land, Miriam/0000-0001-7102-0031; Kyrpides, Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731; Eisen, Jonathan A./0000-0002-0159-2197 FU US Department of Energy Office of Science, Biological and Environmental Research Program; University of California, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396]; UT-Battelle; Oak Ridge National Laboratory [DE-AC05-00OR22725] FX We would like to gratefully acknowledge the help of Sabine Welnitz for growing T. parva cultures, and Evelyne-Marie Brambilla for DNA extraction and quality control (both at DSMZ). This work was performed under the auspices of the US Department of Energy Office of Science, Biological and Environmental Research Program, and by the University of California, Lawrence Berkeley National Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract No. DE-AC02-06NA25396, UT-Battelle and Oak Ridge National Laboratory under contract DE-AC05-00OR22725. NR 49 TC 3 Z9 3 U1 0 U2 5 PU GENOMIC STAND CONSORT PI EAST LANSING PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS SCI BLDG, EAST LANSING, MI 48824 USA SN 1944-3277 J9 STAND GENOMIC SCI JI Stand. Genomic Sci. PY 2013 VL 8 IS 2 BP 228 EP 238 DI 10.4056/sigs.3617113 PG 11 WC Genetics & Heredity; Microbiology SC Genetics & Heredity; Microbiology GA 203XC UT WOS:000323326900007 PM 23991255 ER PT J AU Weiss, M Kesberg, AI LaButti, KM Pitluck, S Bruce, D Hauser, L Copeland, A Woyke, T Lowry, S Lucas, S Land, M Goodwin, L Kjelleberg, S Cook, AM Buhmann, M Thomas, T Schleheck, D AF Weiss, Michael Kesberg, Anna I. LaButti, Kurt M. Pitluck, Sam Bruce, David Hauser, Loren Copeland, Alex Woyke, Tanja Lowry, Stephen Lucas, Susan Land, Miriam Goodwin, Lynne Kjelleberg, Staffan Cook, Alasdair M. Buhmann, Matthias Thomas, Torsten Schleheck, David TI Permanent draft genome sequence of Comamonas testosteroni KF-1 SO STANDARDS IN GENOMIC SCIENCES LA English DT Article DE Comamonas testosteroni KF-1; aerobic; Gram-negative; Comamonadaceae; xenobiotic surfactant biodegradation ID 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE/CARBONYL REDUCTASE; SP STRAIN E6; LINEAR ALKYLBENZENESULFONATE; PSEUDOMONAS-TESTOSTERONI; P-TOLUENESULFONATE; DEGRADATION GENES; GENUS COMAMONAS; PSEUDOALTEROMONAS-TUNICATA; MOLECULAR CHARACTERIZATION; TEREPHTHALATE DEGRADATION AB Comamonas testosteroni KF-1 is a model organism for the elucidation of the novel biochemical degradation pathways for xenobiotic 4-sulfophenylcarboxylates (SPC) formed during biodegradation of synthetic 4-sulfophenylalkane surfactants (linear alkylbenzenesulfonates, LAS) by bacterial communities. Here we describe the features of this organism, together with the complete genome sequence and annotation. The 6,026,527 bp long chromosome (one sequencing gap) exhibits an average G+C content of 61.79% and is predicted to encode 5,492 protein-coding genes and 114 RNA genes. C1 [Weiss, Michael; Kesberg, Anna I.; Cook, Alasdair M.; Buhmann, Matthias; Schleheck, David] Univ Konstanz, Dept Biol Sci, Constance, Germany. [Weiss, Michael; Cook, Alasdair M.; Schleheck, David] Univ Konstanz, Konstanz Res Sch Chem Biol, Constance, Germany. [LaButti, Kurt M.; Pitluck, Sam; Copeland, Alex; Woyke, Tanja; Lowry, Stephen; Lucas, Susan; Goodwin, Lynne] DOE Joint Genome Inst, Walnut Creek, CA USA. [Bruce, David; Goodwin, Lynne] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. [Hauser, Loren; Land, Miriam] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Kjelleberg, Staffan; Thomas, Torsten] Univ New S Wales, Ctr Marine Bioinnovat, Sydney, NSW, Australia. [Kjelleberg, Staffan; Thomas, Torsten] Univ New S Wales, Sch Biotechnol & Biomol Sci, Sydney, NSW, Australia. RP Schleheck, D (reprint author), Univ Konstanz, Dept Biol Sci, Constance, Germany. EM david.schleheck@uni-konstanz.de RI Land, Miriam/A-6200-2011; Kjelleberg, Staffan/C-9229-2015 OI Land, Miriam/0000-0001-7102-0031; Kjelleberg, Staffan/0000-0003-4271-6413 FU University of Konstanz; Konstanz Research School Chemical Biology; University of New South Wales; Centre for Marine Bio-Innovation; Deutsche Forschungsgemeinschaft (DFG) [SCHL 1936/1-1]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; University of California, Lawrence Berkeley National Laboratory [W-7405-Eng-48]; Lawrence Berkeley National Laboratory [DE-AC03-76SF00098]; Los Alamos National Laboratory [W-7405-ENG-36] FX We thank Joachim Hentschel for SEM operation, and several students of our practical classes for testing growth substrates. The work was financially supported by the University of Konstanz and the Konstanz Research School Chemical Biology, the University of New South Wales and the Centre for Marine Bio-Innovation, and by the Deutsche Forschungsgemeinschaft (DFG grant SCHL 1936/1-1 to D. S.). The work conducted by the U. S. Department of Energy Joint Genome Institute was supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and by the University of California, Lawrence Berkeley National Laboratory under contract No. W-7405-Eng-48, Lawrence Berkeley National Laboratory under contract No. DE-AC03-76SF00098 and Los Alamos National Laboratory under contract No. W-7405-ENG-36. NR 106 TC 2 Z9 2 U1 2 U2 16 PU GENOMIC STAND CONSORT PI EAST LANSING PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS SCI BLDG, EAST LANSING, MI 48824 USA SN 1944-3277 J9 STAND GENOMIC SCI JI Stand. Genomic Sci. PY 2013 VL 8 IS 2 BP 239 EP 254 DI 10.4056/sigs.3847890 PG 16 WC Genetics & Heredity; Microbiology SC Genetics & Heredity; Microbiology GA 203XC UT WOS:000323326900008 PM 23991256 ER PT S AU Mueller, CW Weber, PK Kilburn, MR Hoeschen, C Kleber, M Pett-Ridge, J AF Mueller, Carsten W. Weber, Peter K. Kilburn, Matt R. Hoeschen, Carmen Kleber, Markus Pett-Ridge, Jennifer BE Sparks, DL TI Advances in the Analysis of Biogeochemical Interfaces: NanoSIMS to Investigate Soil Microenvironments SO ADVANCES IN AGRONOMY, VOL 121 SE Advances in Agronomy LA English DT Review; Book Chapter ID ION MASS-SPECTROMETRY; ATOMIC-FORCE MICROSCOPY; ORGANIC-MATTER DYNAMICS; PREFERENTIAL FLOW PATHS; PARTICLE-SIZE FRACTIONS; X-RAY-FLUORESCENCE; INTERPLANETARY DUST; NITROGEN-FIXATION; ENVIRONMENTAL MICROBIOLOGY; ELECTRON MICROSCOPY AB Since a NanoSIMS high-resolution secondary ion mass spectrometry (SIMS) instrument was first used for cosmochemistry investigations over a decade ago, both interest in NanoSIMS and the number of instruments available have significantly increased. However, SIMS comes with a set of challenges that are of both technical and conceptual nature, particularly for complex samples such as soils. Here, we synthesize existing research and provide conceptual and technical guidance to those who wish to investigate soil processes at the submicron scale using SIMS, specifically with NanoSIMS. Our review not only offers advice resulting from our own operational experience but also intends to promote synergistic research on yet unresolved methodological issues. We identify and describe the basic setup of a NanoSIMS instrument, and important issues that may arise as a soil sample specimen are prepared for NanoSIMS analysis. This is complemented by discussions of experimental design, data analysis, and data representation. Next to experimental design, sample preparation is the most crucial prerequisite for successful NanoSIMS analyses. We discuss the requirements and limitations for sample preparation over the size range from individual soil particles to intact soil structures such as macroaggregates or intact soil cores. For robust interpretation of data obtained by NanoSIMS, parallel spatial, textural (scanning electron microscopy, atomic force microscopy), or compositional analyses (scanning transmission X-ray microscopy) are often necessary to provide necessary context. We suggest that NanoSIMS analysis is most valuable when applied in concert with other analytical procedures and can provide powerful inference about small-scale processes that can be traced via isotopic labeling or elemental mapping. C1 [Mueller, Carsten W.; Hoeschen, Carmen] Tech Univ Munich, Lehrstuhl Bodenkunde, Freising Weihenstephan, Germany. [Weber, Peter K.; Pett-Ridge, Jennifer] Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA USA. [Kilburn, Matt R.] Univ Western Australia, Ctr Microscopy Characterisat & Anal, Crawley, Australia. [Kleber, Markus] Oregon State Univ, Dept Crop & Soil Sci, Corvallis, OR 97331 USA. RP Mueller, CW (reprint author), Tech Univ Munich, Lehrstuhl Bodenkunde, Freising Weihenstephan, Germany. EM carsten.mueller@wzw.tum.de RI Mueller, Carsten W./C-2679-2012; Kilburn, Matthew/C-4515-2011 OI Mueller, Carsten W./0000-0003-4119-0544; Kilburn, Matthew/0000-0002-1858-8485 NR 142 TC 18 Z9 18 U1 10 U2 122 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0065-2113 BN 978-0-12-407685-3 J9 ADV AGRON JI Adv. Agron. PY 2013 VL 121 BP 1 EP 46 DI 10.1016/B978-0-12-407685-3.00001-3 PG 46 WC Agronomy SC Agriculture GA BGG60 UT WOS:000322846500001 ER PT J AU Lamarque, JF Dentener, F McConnell, J Ro, CU Shaw, M Vet, R Bergmann, D Cameron-Smith, P Dalsoren, S Doherty, R Faluvegi, G Ghan, SJ Josse, B Lee, YH MacKenzie, IA Plummer, D Shindell, DT Skeie, RB Stevenson, DS Strode, S Zeng, G Curran, M Dahl-Jensen, D Das, S Fritzsche, D Nolan, M AF Lamarque, J-F Dentener, F. McConnell, J. Ro, C. -U. Shaw, M. Vet, R. Bergmann, D. Cameron-Smith, P. Dalsoren, S. Doherty, R. Faluvegi, G. Ghan, S. J. Josse, B. Lee, Y. H. MacKenzie, I. A. Plummer, D. Shindell, D. T. Skeie, R. B. Stevenson, D. S. Strode, S. Zeng, G. Curran, M. Dahl-Jensen, D. Das, S. Fritzsche, D. Nolan, M. TI Multi-model mean nitrogen and sulfur deposition from the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP): evaluation of historical and projected future changes SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID EMISSIONS; PRECIPITATION; CARBON; PREINDUSTRIAL; SIMULATIONS; AEROSOLS; ACIDITY; RECORD; ALBEDO; OZONE AB We present multi-model global datasets of nitrogen and sulfate deposition covering time periods from 1850 to 2100, calculated within the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP). The computed deposition fluxes are compared to surface wet deposition and ice core measurements. We use a new dataset of wet deposition for 2000-2002 based on critical assessment of the quality of existing regional network data. We show that for present day (year 2000 ACCMIP time slice), the ACCMIP results perform similarly to previously published multi-model assessments. For this time slice, we find a multi-model mean deposition of approximately 50 Tg(N) yr(-1) from nitrogen oxide emissions, 60 Tg(N) yr(-1) from ammonia emissions, and 83 Tg(S) yr(-1) from sulfur emissions. The analysis of changes between 1980 and 2000 indicates significant differences between model and measurements over the United States but less so over Europe. This difference points towards a potential misrepresentation of 1980 NH3 emissions over North America. Based on ice core records, the 1850 deposition fluxes agree well with Greenland ice cores, but the change between 1850 and 2000 seems to be overestimated in the Northern Hemisphere for both nitrogen and sulfur species. Using the Representative Concentration Pathways (RCPs) to define the projected climate and atmospheric chemistry related emissions and concentrations, we find large regional nitrogen deposition increases in 2100 in Latin America, Africa and parts of Asia under some of the scenarios considered. Increases in South Asia are especially large, and are seen in all scenarios, with 2100 values more than double their 2000 counterpart in some scenarios and reaching > 1300 mg(N) m(-2) yr(-1) averaged over regional to continental-scale regions in RCP 2.6 and 8.5, similar to 30-50% larger than the values in any region currently (circa 2000). However, sulfur deposition rates in 2100 are in all regions lower than in 2000 in all the RCPs. The new ACCMIP multi-model deposition dataset provides state-of-the-science, consistent and evaluated time slice (spanning 1850-2100) global gridded deposition fields for use in a wide range of climate and ecological studies. C1 [Lamarque, J-F] Natl Ctr Atmospher Res, NCAR Earth Syst Lab, Boulder, CO 80307 USA. [Dentener, F.] Commiss European Communities, Joint Res Ctr, I-21020 Ispra, Italy. [McConnell, J.] Univ Nevada, Desert Res Inst, Reno, NV 89506 USA. [Ro, C. -U.; Shaw, M.; Vet, R.] Environm Canada, Toronto, ON, Canada. [Bergmann, D.; Cameron-Smith, P.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Dalsoren, S.; Skeie, R. B.] CICERO, Oslo, Norway. [Doherty, R.; MacKenzie, I. A.; Stevenson, D. S.] Univ Edinburgh, Sch Geosci, Edinburgh, Midlothian, Scotland. [Faluvegi, G.; Lee, Y. H.; Shindell, D. T.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. [Faluvegi, G.; Lee, Y. H.; Shindell, D. T.] Columbia Earth Inst, New York, NY USA. [Ghan, S. J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Josse, B.] Meteo France, GAME CNRM, CNRS Ctr Natl Rech Meteorol, Toulouse, France. [Plummer, D.] Environm Canada, Canadian Ctr Climate Modeling & Anal, Victoria, BC, Canada. [Strode, S.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Strode, S.] Univ Space Res Assoc, Columbia, MD USA. [Zeng, G.] Natl Inst Water & Atmospher Res, Lauder, New Zealand. [Curran, M.] Australian Antarctic Div, Hobart, Tas, Australia. [Curran, M.] Antarctic Climate & Ecosyst CRC, Hobart, Tas, Australia. [Dahl-Jensen, D.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Das, S.] Woods Hole Oceanog Inst, Woods Hole, MA 02543 USA. [Fritzsche, D.] Helmholtz Ctr Polar & Marine Res, Alfred Wegener Inst, Res Unit Potsdam, Potsdam, Germany. [Nolan, M.] Univ Alaska Fairbanks, Fairbanks, AK USA. RP Lamarque, JF (reprint author), Natl Ctr Atmospher Res, NCAR Earth Syst Lab, POB 3000, Boulder, CO 80307 USA. EM lamar@ucar.edu RI Bergmann, Daniel/F-9801-2011; Stevenson, David/C-8089-2012; Lamarque, Jean-Francois/L-2313-2014; Skeie, Ragnhild/K-1173-2015; Strode, Sarah/H-2248-2012; Ghan, Steven/H-4301-2011; Dahl-Jensen, Dorthe/N-4401-2016; Lee, Yunha/Q-7222-2016; Cameron-Smith, Philip/E-2468-2011; Shindell, Drew/D-4636-2012; OI Bergmann, Daniel/0000-0003-4357-6301; Stevenson, David/0000-0002-4745-5673; Lamarque, Jean-Francois/0000-0002-4225-5074; Skeie, Ragnhild/0000-0003-1246-4446; Strode, Sarah/0000-0002-8103-1663; Ghan, Steven/0000-0001-8355-8699; Dahl-Jensen, Dorthe/0000-0002-1474-1948; Lee, Yunha/0000-0001-7478-2672; Cameron-Smith, Philip/0000-0002-8802-8627; Fritzsche, Diedrich/0000-0002-0018-8993 FU Atmospheric Chemistry and Climate (AC&C), a project of International Global Atmospheric Chemistry (IGAC); Stratospheric Processes And their Role in Climate (SPARC) under the International Geosphere-Biosphere Programme (IGBP); World Climate Research Program (WCRP); NASA MAP program; NASA ACMAP program; US Department of Energy Office of Science Decadal and Regional Climate Prediction using Earth System Models (EaSM) program; DOE by Battelle Memorial Institute [DE-AC06-76RLO 1830]; US Dept. of Energy (BER); LLNL [DE-AC52-07NA27344]; NERSC [DE-AC02-05CH11231]; New Zealand Ministry of Science and Innovation; NASA; Office of Science and Technology through EPSRC High End Computing Programme; Norwegian Research Council; European Union; Meteo-France; CNRS; National Science Foundation; Office of Science (BER) of the US Department of Energy FX ACCMIP is organized under the auspices of Atmospheric Chemistry and Climate (AC&C), a project of International Global Atmospheric Chemistry (IGAC) and Stratospheric Processes And their Role in Climate (SPARC) under the International Geosphere-Biosphere Programme (IGBP) and World Climate Research Program (WCRP). The authors are grateful to the British Atmospheric Data Centre (BADC), which is part of the NERC National Centre for Atmospheric Science (NCAS), for collecting and archiving the ACCMIP data. D. Shindell, G. Faluvegi and Y. Lee acknowledge support from the NASA MAP and ACMAP programs. D. Plummer would like to thank the Canadian Foundation for Climate and Atmospheric Sciences for their long-running support of CMAM development. S. Ghan was supported by the US Department of Energy Office of Science Decadal and Regional Climate Prediction using Earth System Models (EaSM) program. The Pacific Northwest National Laboratory (PNNL) is operated for the DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830. The work of D. Bergmann and P. Cameron-Smith was funded by the US Dept. of Energy (BER), performed under the auspices of LLNL under contract DE-AC52-07NA27344, and used the supercomputing resources of NERSC under contract No. DE-AC02-05CH11231. G. Zeng acknowledges NIWA HPCF facility and funding from New Zealand Ministry of Science and Innovation. The GEOSCCM work was supported by the NASA Modeling, Analysis and Prediction program, with computing resources provided by NASA's High-End Computing Program through the NASA Advanced Supercomputing Division. The STOC-HadAM3 work made use of the facilities of HECToR, the UK national high-performance computing service which is funded by the Office of Science and Technology through EPSRC High End Computing Programme. The CICERO-OsloCTM2 simulations were done within the projects SLAC (Short Lived Atmospheric Components) and EarthClim funded by the Norwegian Research Council and ECLIPSE (Evaluating the Climate and Air Quality Impacts of Short-Lived Pollutants) funded by the European Union. The MOCAGE simulations were supported by Meteo-France and CNRS. Supercomputing time was provided by Meteo-France/DSI supercomputing center. The CESM project (which includes CESM-CAM-Superfast, NCAR-CAM3.5 and NCAR-CAM5.1) is supported by the National Science Foundation and the Office of Science (BER) of the US Department of Energy. The National Center for Atmospheric Research is operated by the University Corporation for Atmospheric Research under sponsorship of the National Science Foundation. CMAP precipitation data are provided by the NOAA/OAR/ESRL PSD, Boulder, Colorado, USA, from their website at http://www.esrl.noaa.gov/psd/. We thank Robert Vet and his precipitation chemistry assessment team for making the WMO deposition dataset available prior to publication. We acknowledge the substantial efforts of the field and logistics personnel involved in collecting the ice cores including those from WAIS Divide, the Norwegian-United States Scientific Traverse of East Antarctica, and NEEM. We also thank Dan Pasteris and the other students and staff of the DRI ultra-trace ice core chemistry laboratory for help in analyzing the ice cores and the Office of Polar Programs at the National Science Foundation for supporting collection and analysis of the cores. NR 51 TC 48 Z9 52 U1 2 U2 71 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2013 VL 13 IS 16 BP 7997 EP 8018 DI 10.5194/acp-13-7997-2013 PG 22 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 207TJ UT WOS:000323626500005 ER PT B AU Bozin, ES Juhas, P Billinge, SJL AF Bozin, Emil S. Juhas, Pavol Billinge, Simon J. L. BE Lamberti, C Agostini, G TI Local Structure of Bulk and Nanocrystalline Semiconductors Using Total Scattering Methods SO CHARACTERIZATION OF SEMICONDUCTOR HETEROSTRUCTURES AND NANOSTRUCTURES, 2ND EDITION LA English DT Article; Book Chapter ID PAIR DISTRIBUTION FUNCTION; X-RAY-DIFFRACTION; ABSORPTION FINE-STRUCTURE; THERMOELECTRIC-MATERIALS; AMORPHOUS MATERIALS; POWDER DIFFRACTION; SOLID-SOLUTIONS; QUANTUM DOTS; NANOPARTICLES; NANOSTRUCTURE C1 [Bozin, Emil S.; Juhas, Pavol; Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. RP Bozin, ES (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. OI Juhas, Pavol/0000-0001-8751-4458 NR 77 TC 8 Z9 8 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-44-459549-2; 978-0-44-459551-5 PY 2013 BP 229 EP 257 DI 10.1016/B978-0-444-59551-5.00006-6 PG 29 WC Materials Science, Multidisciplinary; Materials Science, Characterization & Testing; Physics, Condensed Matter SC Materials Science; Physics GA BGD17 UT WOS:000322372000007 ER PT J AU Tian, CC Bao, CH Binder, A Zhu, ZQ Hu, B Guo, YL Zhao, B Dai, S AF Tian, Chengcheng Bao, Chunhui Binder, Andrew Zhu, Zhenqian Hu, Bin Guo, Yanglong Zhao, Bin Dai, Sheng TI An efficient and reusable "hairy" particle acid catalyst for the synthesis of 5-hydroxymethylfurfural from dehydration of fructose in water SO CHEMICAL COMMUNICATIONS LA English DT Article ID MIXED HOMOPOLYMER BRUSHES; RADICAL POLYMERIZATION; SILICA; BIOMASS; DESIGN AB Poly(4-styrenesulfonic acid) brush-grafted silica particles, synthesized by surface-initiated atom transfer radical polymerization, were employed as a reusable acid catalyst for dehydration of fructose to 5-hydroxymethylfurfural (HMF) in water. The particles exhibited a high activity with the HMF yield of up to 31%, in contrast to 26% from the corresponding free homopolymer catalyst. C1 [Tian, Chengcheng; Guo, Yanglong] E China Univ Sci & Technol, Res Inst Ind Catalysis, Key Lab Adv Mat, Shanghai 200237, Peoples R China. [Tian, Chengcheng; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Tian, Chengcheng; Bao, Chunhui; Binder, Andrew; Zhu, Zhenqian; Hu, Bin; Zhao, Bin; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Guo, YL (reprint author), E China Univ Sci & Technol, Res Inst Ind Catalysis, Key Lab Adv Mat, Shanghai 200237, Peoples R China. EM ylguo@ecust.edu.cn; zhao@ion.chem.utk.edu; dais@ornl.gov RI Dai, Sheng/K-8411-2015 OI Dai, Sheng/0000-0002-8046-3931 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy; NSF [DMR-1007986]; National Basic Research Program of China [2010CB732300]; Shu Guang Project [10SG30]; 111 Project [B08021] FX The research was supported financially by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy, and NSF (DMR-1007986, B.Z.). CCT and YLG are also thankful for the National Basic Research Program of China (2010CB732300), Shu Guang Project (10SG30) and 111 Project (B08021). NR 19 TC 17 Z9 17 U1 4 U2 80 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2013 VL 49 IS 77 BP 8668 EP 8670 DI 10.1039/c3cc43127d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 209LQ UT WOS:000323758900027 PM 23948765 ER PT S AU Santos-Villalobos, HJ Bingham, PR Gregor, J AF Santos-Villalobos, Hector J. Bingham, Philip R. Gregor, Jens BE Bouman, CA Pollak, I Wolfe, PJ TI Neutron Imaging with Coded Sources: Design Pitfalls and the Implementation of a Simultaneous Iterative Reconstruction Technique SO COMPUTATIONAL IMAGING XI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Computational Imaging XI CY FEB 05-07, 2013 CL Burlingame, CA SP Soc Imaging Sci & Technol (IS&T), SPIE, Qualcomm Inc DE coded source imaging; neutron imaging; inverse problems; SIRT; iterative reconstructions; coded apertures AB The limitations in neutron flux and resolution (L/D) of current neutron imaging systems can be addressed with a Coded Source Imaging system with magnification (xCSI). More precisely, the multiple sources in an xCSI system can exceed the flux of a single pinhole system for several orders of magnitude, while maintaining a higher L/D with the small sources. Moreover, designing for an xCSI system reduces noise from neutron scattering, because the object is placed away from the detector to achieve magnification. However, xCSI systems are adversely affected by correlated noise such as non-uniform illumination of the neutron source, incorrect sampling of the coded radiograph, misalignment of the coded masks, mask transparency, and the imperfection of the system Point Spread Function (PSF). We argue that a model-based reconstruction algorithm can overcome these problems and describe the implementation of a Simultaneous Iterative Reconstruction Technique algorithm for coded sources. Design pitfalls that preclude a satisfactory reconstruction are documented. C1 [Santos-Villalobos, Hector J.; Bingham, Philip R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Santos-Villalobos, HJ (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM hsantos@ornl.gov; binghampr@ornl.gov; jgregor@eecs.utk.edu OI Bingham, Philip/0000-0003-4616-6084 NR 15 TC 0 Z9 0 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9430-6 J9 PROC SPIE PY 2013 VL 8657 AR 865708 DI 10.1117/12.2008687 PG 12 WC Robotics; Optics; Imaging Science & Photographic Technology SC Robotics; Optics; Imaging Science & Photographic Technology GA BGG46 UT WOS:000322833500007 ER PT S AU Olama, MM Nutaro, J AF Olama, Mohammed M. Nutaro, James BE Ternovskiy, IV Chin, P TI Secure It Now or Secure It Later: The Benefits of Addressing Cyber-Security from the Outset SO CYBER SENSING 2013 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Cyber Sensing CY APR 30-MAY 01, 2013 CL Baltimore, MD SP SPIE DE Cyber-security; cyber-attack; software lifecycle; software total cost AB The majority of funding for research and development (R&D) in cyber-security is focused on the end of the software lifecycle where systems have been deployed or are nearing deployment. Recruiting of cyber-security personnel is similarly focused on end-of-life expertise. By emphasizing cyber-security at these late stages, security problems are found and corrected when it is most expensive to do so, thus increasing the cost of owning and operating complex software systems. Worse, expenditures on expensive security measures often mean less money for innovative developments. These unwanted increases in cost and potential slowing of innovation are unavoidable consequences of an approach to security that finds and remediate faults after software has been implemented. We argue that software security can be improved and the total cost of a software system can be substantially reduced by an appropriate allocation of resources to the early stages of a software project. By adopting a similar allocation of R&D funds to the early stages of the software lifecycle, we propose that the costs of cyber-security can be better controlled and, consequently, the positive effects of this R&D on industry will be much more pronounced. C1 [Olama, Mohammed M.; Nutaro, James] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Olama, MM (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, POB 2008,MS 6085, Oak Ridge, TN 37831 USA. OI Nutaro, James/0000-0001-7360-2836 NR 15 TC 1 Z9 1 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9548-8 J9 PROC SPIE PY 2013 VL 8757 AR UNSP 87570L DI 10.1117/12.2015465 PG 6 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BGN55 UT WOS:000323571700014 ER PT J AU Levine, M Zhou, N Fridley, D Price, L Zheng, N AF Levine, Mark Zhou, Nan Fridley, David Price, Lynn Zheng, Nina BE Sioshansi, FP TI China: Energy Efficiency Where it Really Matters SO ENERGY EFFICIENCY: TOWARDS THE END OF DEMAND GROWTH LA English DT Article; Book Chapter C1 [Levine, Mark; Zhou, Nan; Zheng, Nina] Lawrence Berkeley Natl Lab, China Energy Grp, Berkeley, CA 94720 USA. [Fridley, David; Price, Lynn] Lawrence Berkeley Natl Lab, China Energy Grp, Environm Energy Technol Div, Berkeley, CA USA. RP Levine, M (reprint author), Lawrence Berkeley Natl Lab, China Energy Grp, Berkeley, CA 94720 USA. NR 4 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA BN 978-0-12-397887-5 PY 2013 BP 201 EP 225 DI 10.1016/B978-0-12-397879-0.00008-6 PG 25 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BGD96 UT WOS:000322510900011 ER PT J AU Rajkovich, NB Miller, WC Risser, RJ AF Rajkovich, Nicholas B. Miller, William C. Risser, Roland J. BE Sioshansi, FP TI The Prospect of Zero Net Energy Buildings in the United States SO ENERGY EFFICIENCY: TOWARDS THE END OF DEMAND GROWTH LA English DT Article; Book Chapter ID EMERGING RESEARCH AGENDAS; SUSTAINABLE ARCHITECTURE; CITIES; HOT C1 [Rajkovich, Nicholas B.] Univ Michigan, Urban & Reg Planning Program, Ann Arbor, MI 48109 USA. [Miller, William C.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. [Risser, Roland J.] US DOE, Bldg Technol Off, Washington, DC 20585 USA. RP Rajkovich, NB (reprint author), Univ Michigan, Urban & Reg Planning Program, Ann Arbor, MI 48109 USA. NR 47 TC 1 Z9 1 U1 0 U2 1 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA BN 978-0-12-397887-5 PY 2013 BP 253 EP 274 DI 10.1016/B978-0-12-397879-0.00010-4 PG 22 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BGD96 UT WOS:000322510900013 ER PT J AU Anderson, R Mooney, D Hauser, S AF Anderson, Ren Mooney, Dave Hauser, Steven BE Sioshansi, FP TI Energy Convergence: Integrating Increased Efficiency with Increased Penetration of Renewable Generation SO ENERGY EFFICIENCY: TOWARDS THE END OF DEMAND GROWTH LA English DT Article; Book Chapter C1 [Anderson, Ren] Natl Renewable Energy Lab, Residential Syst R&D Grp, Golden, CO 80401 USA. [Mooney, Dave] Natl Renewable Energy Lab, Elect Resources & Bldg Syst Integrat Ctr, Golden, CO USA. RP Anderson, R (reprint author), Natl Renewable Energy Lab, Residential Syst R&D Grp, Golden, CO 80401 USA. NR 11 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA BN 978-0-12-397887-5 PY 2013 BP 495 EP 517 DI 10.1016/B978-0-12-397879-0.00019-0 PG 23 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BGD96 UT WOS:000322510900022 ER PT S AU Xu, R Belharouak, I Zhang, XF Polzin, B Li, JCM AF Xu, Rui Belharouak, Ilias Zhang, Xiaofeng Polzin, Bryant Li, James C. M. BE Dhar, NK Balaya, P Dutta, AK TI New Developments in Lithium Sulfur Batteries SO ENERGY HARVESTING AND STORAGE: MATERIALS, DEVICES, AND APPLICATIONS IV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Energy Harvesting and Storage - Materials, Devices, and Applications IV CY APR 29-MAY 01, 2013 CL Baltimore, MD SP SPIE DE lithium-sulfur (Li-S) batteries; energy density; coulombic efficiency; lithium polysulfide; shuttle effect ID IONIC LIQUID ELECTROLYTE; ELECTROCHEMICAL PROPERTIES; RECHARGEABLE BATTERIES; POLYMER ELECTROLYTES; CATHODE MATERIALS; PERFORMANCE; CELLS; POLYSULFIDES; TEMPERATURE; COMPOSITES AB In this work, efforts were conducted in order to mitigate the issue of polysulfides dissolution and hence to improve the capacity and efficiency of Li-sulfur cells. The first approach was achieved by optimizing the amount of sulfur that can be contained in the sulfur/carbon electrode. Five sulfur/carbon ratios were prepared- (1) 50/50, (2) 60/40, (3) 70/30, (4) 80/20, and (5) 90/10- to study the effect of carbon contents on electrochemical cycling. The second approach was by adding nano-sized TiO2 particles having a large specific surface area as the polysulfide adsorbing agent in the electrodes. The impact of nano-sized TiO2 particles in improving the electrochemical properties of sulfur electrodes was investigated using CV measurements and charge/discharge tests. To further enhance the efficiency and cycling stability of Li-S batteries, a novel polysulfide electrolyte was developed. This new electrolyte mainly consisted of pre-dissolved lithium polysulfides (Li2Sx) as an alternative electrolyte salt to replace the lithium bis(trifluoromethanesulfone) imide (LiTFSI). We also used LiNO3 to mitigate the shuttle mechanism that occurs in Li-S cells during the charge and discharge. By creating a dynamic equilibrium at the interface of the cathode and electrolyte, the dissolution of lithium polysulfides, and thus the loss of active materials from the cathode during the discharge and charge of the cell, was greatly prevented. C1 [Xu, Rui; Belharouak, Ilias; Zhang, Xiaofeng; Polzin, Bryant] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Belharouak, I (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM belharouak@anl.gov OI Belharouak, Ilias/0000-0002-3985-0278 NR 45 TC 0 Z9 0 U1 4 U2 67 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9519-8 J9 PROC SPIE PY 2013 VL 8728 AR UNSP 872804 DI 10.1117/12.2016110 PG 10 WC Energy & Fuels; Optics SC Energy & Fuels; Optics GA BGM37 UT WOS:000323496900001 ER PT J AU Risbud, AS Bartl, MH AF Risbud, Aditi S. Bartl, Michael H. BE Lakhtakia, A MartinPalma, RJ TI Solution-Based Techniques for Biomimetics and Bioreplication SO ENGINEERED BIOMIMICRY LA English DT Article; Book Chapter DE Band gap; Band structure; Beetle; Bioinspiration; Biomaterials; Bioreplication; Biotemplated; Butterfly; Colloids; Electrochemistry; Functional materials; Gecko; Lotus leaf; Nanoparticle; Optical properties; Photonic crystal; Polymer; Replica; Scaffold; Soft chemistry; Sol-gel; Solution-based synthesis; Structural color; Structure engineering; Templating; Three-dimensional structure; Weevil ID PHOTONIC CRYSTALS; BUTTERFLIES; FABRICATION; DEPOSITION; SURFACES; TITANIA; BIOLOGY; BANDGAP; OPTICS; BIRDS AB Nature generates structurally complex architectures with feature sizes covering several length scales under rather simple environmental conditions and with limited resources. Today, researchers understand how many of these structures look and behave, but, in many instances, we still lack nature's ability to marry elegant structures with complex functionality. By unraveling the wonders of nature's design, scientists have developed biomimetic and biotemplated materials with entirely new functions and behaviors. In particular, solution-based methods provide simple, inexpensive routes to generating bioreplicated structures. In this chapter, we survey solution-based bioreplication methods and provide an example for generating three-dimensional photonic crystal structures based on colored weevil scales. This example illustrates how structural engineering in biology can be replicated using sol-gel chemistry and results in an entirely new optical material with fascinating properties. C1 [Risbud, Aditi S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bartl, Michael H.] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. [Bartl, Michael H.] HRL Labs LLC, Sensors & Mat Lab, Malibu, CA 90265 USA. RP Risbud, AS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, MS 67R3110, Berkeley, CA 94720 USA. NR 58 TC 4 Z9 4 U1 3 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-12-391432-3 PY 2013 BP 359 EP 382 DI 10.1016/B978-0-12-415995-2.00014-3 PG 24 WC Engineering, Biomedical SC Engineering GA BGC26 UT WOS:000322241100017 ER PT J AU Kocman, D Brooks, SC Miller, CL Yin, XPL AF Kocman, David Brooks, Scott C. Miller, Carrie L. Yin, Xiangping L. TI Evaluation of centrifugal ultrafilters for size fractionation of total mercury and methylmercury in freshwaters SO ENVIRONMENTAL CHEMISTRY LA English DT Article ID DISSOLVED ORGANIC-MATTER; FRANCISCO BAY ESTUARY; MOLECULAR-WEIGHT; OAK-RIDGE; SULFIDE NANOPARTICLES; FLOW ULTRAFILTRATION; MONOMETHYL MERCURY; AMERICAN OYSTERS; SPECIATION; SYSTEMS AB Amicon Ultra-15 centrifugal filters with nominal molecular weight cut-offs of 100, 30 and 3 kDa, were tested for separating Hg complexes in freshwaters. Experiments used Hg-contaminated water from East Fork Poplar Creek (EFPC) and laboratory-prepared Hg solutions containing Suwannee River natural organic matter (SR-NOM). Investigations focussed on Hg and dissolved organic carbon blank levels, Hg sorption and leaching, Hg mass balance closure and spike recoveries of inorganic and methylmercury (MeHg). Hg spike recoveries for EFPC samples were low (57 +/- 16 %, n = 30) due to sorption. MeHg recovery averaged 87 +/- 9% (n = 15) suggesting it was less affected by sorptive losses. SR-NOM samples yielded similar dissolved organic matter (DOM) and MeHg size fractionation patterns with similar to 20% of the MeHg found in the less than 3-kDa fraction. Overall, the distribution of MeHg followed a pattern similar to the DOM, indicating the importance of both sample DOM quantity and quality for MeHg partitioning in aquatic systems. Although the use of these ultrafilters for inorganic Hg in freshwater samples is not recommended, they were successfully used for MeHg in EFPC where the majority of MeHg was found to be either dissolved or associated with phases smaller than 3 kDa. C1 [Kocman, David; Brooks, Scott C.; Miller, Carrie L.; Yin, Xiangping L.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Brooks, SC (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM brookssc@ornl.gov RI Miller, Carrie/B-8943-2012; Brooks, Scott/B-9439-2012 OI Brooks, Scott/0000-0002-8437-9788 FU US Department of Energy, Office of Science, Biological and Environmental Research, Subsurface Biogeochemical Research Program; US Department of Energy [DEAC05-00OR22725] FX This work was funded by the US Department of Energy, Office of Science, Biological and Environmental Research, Subsurface Biogeochemical Research Program and is a product of the Science Focus Area (SFA) at Oak Ridge National Laboratory. Oak Ridge National Laboratory is managed by UT-Battelle LLC for the US Department of Energy under contract DEAC05-00OR22725. NR 40 TC 1 Z9 2 U1 2 U2 30 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1448-2517 J9 ENVIRON CHEM JI Environ. Chem. PY 2013 VL 10 IS 4 BP 323 EP 332 DI 10.1071/EN12199 PG 10 WC Chemistry, Analytical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 207ZX UT WOS:000323645000008 ER PT J AU Heckman, K Campbell, J Powers, H Law, B Swanston, C AF Heckman, Katherine Campbell, John Powers, Heath Law, Beverly Swanston, Chris TI THE INFLUENCE OF FIRE ON THE RADIOCARBON SIGNATURE AND CHARACTER OF SOIL ORGANIC MATTER IN THE SISKIYOU NATIONAL FOREST, OREGON, USA SO FIRE ECOLOGY LA English DT Article DE Biscuit Fire; charcoal; density separation; radiocarbon; soil organic matter; wildfire ID MICROBIAL COMMUNITY STRUCTURE; BOMB C-14 DATA; PINE FOREST; TERRESTRIAL ECOSYSTEMS; NITROGEN LIMITATION; LIGHT-FRACTION; CLIMATE-CHANGE; N STORAGE; CARBON; WILDFIRE AB Forest fires contribute a significant amount of CO2 to the atmosphere each year, and CO2 emissions from fires are likely to increase under projected conditions of global climate change. In addition to volatilizing aboveground biomass and litter layers, forest fires have a profound effect on belowground carbon (C) pools and the cycling of soil organic matter as a whole. However, the influence of fire on belowground organic matter cycling is not well defined and varies widely with fire severity. We measured soil organic matter (SOM) characteristics across a range of fire severities two years after the 2002 Biscuit Fire in southwest Oregon, USA, to address the following questions: (1) Which C pools are preferentially volatilized or transformed to charcoal under low-severity and high-severity fire? (2) How does fire change the distribution of SOM among density fractions and depths? (3) How does fire affect the general character of SOM including such variables as abundance, C:N ratio, C-13 abundance, and C-14 abundance? We examined soils from a mixed hardwood-evergreen forest across a range of burn severities: unburned, low severity, mixed severity, and high severity. Results indicated that increasing burn severity led to progressive loss of forest floor mass, but not to progressive loss of C from the mineral soil. Although fire significantly increased the charcoal content of the soils, fire did not significantly change the distribution of soil organic matter between heavy and free or light fractions. Other significant changes in soil organic matter characteristics included a progressive increase in nitrogen (N) with increasing burn severity, possibly due to the encroachment of N-fixing shrubs following the loss of native vegetation. Although qualitative changes in total root abundance following fire were noted, differences among burn severity treatments were not statistically significant. Increased concentrations of rock fragments in burned areas may be suggestive of erosion in these areas, consistent with previous studies documenting varying degrees of soil erosion following fire. In addition, although C-13 abundances were similar among severely burned and unburned plots, soils from severely burned plots were significantly depleted in C-14 in comparison to soils from unburned plots. This C-14 depletion is most likely the combined result of erosion and preferential combustion of organics enriched in C-14 relative to the bulk soil, perhaps reflecting a historical pattern of fire occurrence and severity across the landscape. C1 [Heckman, Katherine; Swanston, Chris] US Forest Serv, USDA, No Res Stn, Houghton, MI 49931 USA. [Heckman, Katherine] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Campbell, John; Law, Beverly] Oregon State Univ, Dept Forest Ecosyst & Soc, Corvallis, OR 97331 USA. [Powers, Heath] Los Alamos Natl Lab, Climat & Environm Dynam Grp, Div Earth & Environm Sci, Los Alamos, NM 87544 USA. RP Heckman, K (reprint author), US Forest Serv, USDA, No Res Stn, 410 MacInnes Dr, Houghton, MI 49931 USA. EM kaheckman@fs.fed.us RI Law, Beverly/G-3882-2010 OI Law, Beverly/0000-0002-1605-1203 FU Office of Science (Biological and Environmental Research), US Department of Energy [DF-FG02-04ER63917, DE-FG02-07ER64361]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-JRNL-567353] FX This research was supported by the Office of Science (Biological and Environmental Research), US Department of Energy (DF-FG02-04ER63917, and DE-FG02-07ER64361). A portion of this work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, LLNL-JRNL-567353. NR 66 TC 3 Z9 3 U1 1 U2 27 PU ASSOC FIRE ECOLOGY PI EUGENE PA PO BOX 50412, EUGENE, OR 97405 USA SN 1933-9747 J9 FIRE ECOL JI Fire Ecol. PY 2013 VL 9 IS 2 BP 40 EP 56 DI 10.4996/fireecology.0902040 PG 17 WC Ecology; Forestry SC Environmental Sciences & Ecology; Forestry GA 208TK UT WOS:000323702400005 ER PT B AU Hudson, B Loots, GG AF Hudson, Bryan Loots, Gabriela G. BE Thakker, RV Whyte, MP Eisman, JA Igarashi, T TI Genomic Profiling in Bone SO GENETICS OF BONE BIOLOGY AND SKELETAL DISEASE LA English DT Article; Book Chapter ID DIFFERENTIAL GENE EXPRESSIONS; CANDIDATE GENES; OSTEOBLAST DIFFERENTIATION; OSTEOCLAST DIFFERENTIATION; CIRCULATING MONOCYTES; MICROARRAY ANALYSIS; SIGNALING PATHWAYS; ETHNIC DIFFERENCE; CDNA MICROARRAYS; MINERAL DENSITY C1 [Hudson, Bryan; Loots, Gabriela G.] Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Livermore, CA USA. [Loots, Gabriela G.] Univ Calif, Sch Nat Sci, Merced, CA USA. RP Hudson, B (reprint author), Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Livermore, CA USA. NR 91 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA BN 978-0-12-387830-4; 978-0-12-387829-8 PY 2013 BP 101 EP 121 DI 10.1016/B978-0-12-387829-8.00008-1 PG 21 WC Biochemistry & Molecular Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Genetics & Heredity GA BGF11 UT WOS:000322631800009 ER PT S AU Nam, H Dean, DJ AF Nam, H. Dean, D. J. BE Honma, M Utsuno, Y Shimizu, N TI Re-entrance in nuclei: competitive phenomena SO INTERNATIONAL SYMPOSIUM ON EXOTIC NUCLEAR STRUCTURE FROM NUCLEONS (ENSFN 2012) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Symposium on Exotic Nuclear Structure from Nucleons (ENSFN) CY OCT 10-12, 2012 CL Univ Tokyo, Tokyo, JAPAN SP RIKEN Nishina Ctr (RNC), Univ Tokyo, Ctr Nucl Study (CNS) HO Univ Tokyo ID THERMAL-PROPERTIES AB Using the shell-model Monte Carlo method, we investigate how temperature and rotation affect pairing properties for nuclei in the fp - gds region. The re-entrance of pairing correlations with temperature is predicted at high rotational frequencies. It manifests through an anomalous behavior of the specific heat and level density. C1 [Nam, H.; Dean, D. J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Nam, H (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM namha@ornl.gov OI Dean, David/0000-0002-5688-703X NR 11 TC 0 Z9 0 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2013 VL 445 AR UNSP 012029 DI 10.1088/1742-6596/445/1/012029 PG 6 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BGM59 UT WOS:000323511100029 ER PT J AU Cheng, JL Wang, B Xin, HLL Yang, GC Cai, HQ Nie, FD Huang, H AF Cheng, Jianli Wang, Bin Xin, Huolin L. Yang, Guangcheng Cai, Huaqiang Nie, Fude Huang, Hui TI Self-assembled V2O5 nanosheets/reduced graphene oxide hierarchical nanocomposite as a high-performance cathode material for lithium ion batteries SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID HIGH-POWER; STORAGE PROPERTIES; CAPACITY; INTERCALATION; COMPOSITE; SUPERCAPACITORS; MICROSPHERES; CAPABILITY; ELECTRODES; NANOTUBES AB A simple solvothermal method was used to prepare self-assembled V2O5 nanosheets/reduced graphene oxide (RGO) hierarchical nanocomposite. In this nanocomposite, the V2O5 nanosheets assembling on the RGO constitute a 3-D hierarchical nanostructure with high specific surface area and good electronic/ionic conducting path. When used as the cathode materials, the V2O5 nanosheets/RGO nanocomposites exhibit highly reversible capacity and good rate capability relative to the bulk material. The V2O5 nanosheets/RGO nanocomposite anode was able to charge/discharge at high current densities of 3000 mA g(-1) (10 C), 6000 mA g(-1) (20 C) and 15 A g(-1) (50 C), with discharge capacities of approximately 138, 112 and 76 mA h g(-1), respectively. Meanwhile, a discharge capacity of 102 mA h g(-1) can be delivered after 160 cycles at 2 C, showing a good cycling stability. The improved performance could be attributed to the enhanced electron transport and Li+ diffusion that results from the hierarchical nanostructure of V2O5 nanosheets/RGO nanocomposites. C1 [Cheng, Jianli; Wang, Bin; Yang, Guangcheng; Cai, Huaqiang; Nie, Fude; Huang, Hui] China Acad Engn Phys, Inst Chem Mat, New Mat R&D Ctr, Mianyang 621900, Sichuan, Peoples R China. [Xin, Huolin L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Wang, B (reprint author), China Acad Engn Phys, Inst Chem Mat, New Mat R&D Ctr, Mianyang 621900, Sichuan, Peoples R China. EM edward.bwang@gmail.com; huanghui@caep.ac.cn RI cheng, Jianli/K-1496-2014; Cheng, Jianli/K-4478-2014; Xin, Huolin/E-2747-2010; Wang, Bin/F-9677-2012 OI Xin, Huolin/0000-0002-6521-868X; Wang, Bin/0000-0001-7104-4543 FU Startup Foundation of China Academy of Engineering Physics, Institute of Chemical Materials [KJCX201301] FX This work was supported by the Startup Foundation of China Academy of Engineering Physics, Institute of Chemical Materials (KJCX201301). This research made use of the TEM facility supported by Materials Sciences Division at Lawrence Berkeley National Laboratory. The authors thank Dr Chunjoong Kim and Mr Xiangyun Song for helpful analysis discussion. NR 42 TC 50 Z9 51 U1 10 U2 128 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 36 BP 10814 EP 10820 DI 10.1039/c3ta12066j PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 203FJ UT WOS:000323276200031 ER PT J AU Iturrondobeitia, A Goni, A Lezama, L Kim, C Doeff, M Cabana, J Rojo, T AF Iturrondobeitia, Amaia Goni, Aintzane Lezama, Luis Kim, Chunjoong Doeff, Marca Cabana, Jordi Rojo, Teofilo TI Effect of Si(IV) substitution on electrochemical, magnetic and spectroscopic performance of nanosized LiMn2-xSixO4 SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID RECHARGEABLE LITHIUM BATTERIES; DOPING LIMN2O4 SPINEL; ION BATTERIES; ELECTRODE MATERIALS; CATHODE MATERIAL; CAPACITY; DISTORTION; INSERTION AB We report a simple and cheap process for the synthesis of Si substituted LiMn2O4. The resulting materials are composed of partially sintered particles of 80 nm average size, corresponding to single crystalline phases with cubic spinel structures. The substitution of Mn(IV) with Si(IV) in the crystal framework changed the cell parameter and volume, and was confirmed by the evolution observed in the XPS and ESR measurements. A complete magnetic study was carried out. Due to the in-built magnetic frustration within the spinel structure and the competition between different exchange pathways, the insertion of different quantities of Si(IV) causes significant differences in the properties. The electrochemical study revealed that introducing a small amount of Si(IV) enhances the electrochemical performance of the spinel. The highest specific capacity and rate discharge capability were obtained for LiMn1.95Si0.05O4, while insertion of a higher amount of the tetravalent dopant caused deterioration of the electrochemical behavior. C1 [Iturrondobeitia, Amaia; Goni, Aintzane; Lezama, Luis; Rojo, Teofilo] Univ Basque Country, Dept Quim Inorgan, EHU, E-48080 Bilbao, Spain. [Kim, Chunjoong; Doeff, Marca; Cabana, Jordi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Kim, Chunjoong; Cabana, Jordi] Univ Illinois, Dept Chem, Chicago, IL USA. [Rojo, Teofilo] CIC EnergiGUNE, Minano 01510, Alava, Spain. RP Rojo, T (reprint author), Univ Basque Country, Dept Quim Inorgan, EHU, POB 644, E-48080 Bilbao, Spain. EM trojo@cicenergigune.com RI Cabana, Jordi/G-6548-2012; Rojo, Teofilo/B-5197-2015; Lezama, Luis/M-1544-2013; OI Cabana, Jordi/0000-0002-2353-5986; Rojo, Teofilo/0000-0003-2711-8458; Lezama, Luis/0000-0001-6183-2052; Goni, Aintzane/0000-0001-6914-5943 FU Ministerio de Ciencia e Innovacion [MAT2010-19442]; Gobierno Vasco/Eusko Jaurlaritza [IT570-13]; Gobierno Vasco/Eusko Jaurlaritza (ETORTEK) [CICENERGI-GUNE10]; Gobierno Vasco/Eusko Jaurlaritza (SAIOTEK) [S-PE12UN140]; Gobierno Vasco/Eusko Jaurlaritza; Office of Vehicle Technologies of U. S. Department of Energy as part of the Batteries for Advanced Transportation Technologies (BATT) Program [DE-AC02-05CH11231] FX This work was financially supported by the Ministerio de Ciencia e Innovacion (MAT2010-19442) and the Gobierno Vasco/Eusko Jaurlaritza (IT570-13, ETORTEK CICENERGI-GUNE10, SAIOTEK S-PE12UN140). A. I. thanks the Gobierno Vasco/Eusko Jaurlaritza for a fellowship. CK, MMD and JC wish to acknowledge financial support by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of U. S. Department of Energy, under contract DE-AC02-05CH11231, as part of the Batteries for Advanced Transportation Technologies (BATT) Program. NR 26 TC 10 Z9 10 U1 2 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 EI 2050-7496 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 36 BP 10857 EP 10862 DI 10.1039/c3ta11659j PG 6 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 203FJ UT WOS:000323276200036 ER PT J AU Qiao, L Xiao, HY Meyer, HM Sun, JN Rouleau, CM Puretzky, AA Geohegan, DB Ivanov, IN Yoon, M Weber, WJ Biegalski, MD AF Qiao, L. Xiao, H. Y. Meyer, H. M. Sun, J. N. Rouleau, C. M. Puretzky, A. A. Geohegan, D. B. Ivanov, I. N. Yoon, M. Weber, W. J. Biegalski, M. D. TI Nature of the band gap and origin of the electro-/photo-activity of Co3O4 SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID OXIDE THIN-FILMS; CHEMICAL-VAPOR-DEPOSITION; OPTICAL-PROPERTIES; SPRAY-PYROLYSIS; LOW-TEMPERATURE; COBALT OXIDES; SPINEL CO3O4; OXIDATION; MICROSTRUCTURE; PERFORMANCE AB Co3O4 exhibits intriguing physical, chemical and catalytic properties and has demonstrated great potential for next-generation renewable energy applications. These interesting properties and promising applications are underpinned by its electronic structure and optical properties, which are unfortunately poorly understood and the subject of considerable debate over many years. Here, we unveil a consistent electronic structural description of Co3O4 by synergetic infrared optical and in situ photoemission spectroscopy as well as standard density functional theory calculations. In contrast to previous assumptions, we demonstrate a much smaller fundamental band gap, which is directly related to its efficient electro-/photo-activity. The present results may help to advance the fundamental understanding and provide guidance for the use of oxide materials in photocatalysis and solar applications. C1 [Qiao, L.; Rouleau, C. M.; Puretzky, A. A.; Geohegan, D. B.; Ivanov, I. N.; Yoon, M.; Biegalski, M. D.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Xiao, H. Y.; Weber, W. J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Meyer, H. M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Sun, J. N.] JA Woollam Co Inc, Lincoln, NE 68508 USA. RP Qiao, L (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM qiaol@ornl.gov; biegalskim@ornl.gov RI Qiao, Liang/A-8165-2012; Weber, William/A-4177-2008; ivanov, ilia/D-3402-2015; Rouleau, Christopher/Q-2737-2015; Yoon, Mina/A-1965-2016; Puretzky, Alexander/B-5567-2016; Geohegan, David/D-3599-2013 OI Weber, William/0000-0002-9017-7365; ivanov, ilia/0000-0002-6726-2502; Rouleau, Christopher/0000-0002-5488-3537; Yoon, Mina/0000-0002-1317-3301; Puretzky, Alexander/0000-0002-9996-4429; Geohegan, David/0000-0003-0273-3139 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy; U. S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division; National Natural Science Foundation of China [11004023] FX This research was conducted at the Center for Nanophase Materials Sciences and the SHaRE User Facility, which are sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy. H. Y. Xiao and W. J. Weber were supported by the U. S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division. The theoretical calculations were performed using the supercomputer resources at the Environmental Molecular Sciences Laboratory (EMSL) located at the Pacific Northwest National Laboratory. H. Y. X. also acknowledges the partial support of the National Natural Science Foundation of China (Grant no. 11004023). NR 42 TC 25 Z9 25 U1 5 U2 91 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 EI 2050-7534 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2013 VL 1 IS 31 BP 4628 EP 4633 DI 10.1039/c3tc30861h PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 186FY UT WOS:000322028700002 ER PT J AU Brenner, TM Chen, G Meinig, EP Baker, DJ Olson, DC Collins, RT Furtak, TE AF Brenner, Thomas M. Chen, Gang Meinig, Erich P. Baker, Darick J. Olson, Dana C. Collins, Reuben T. Furtak, Thomas E. TI Tuning zinc oxide/organic energy level alignment using mixed triethoxysilane monolayers SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID OPEN-CIRCUIT VOLTAGE; POLYMER SOLAR-CELLS; INDIUM-TIN OXIDE; SELF-ASSEMBLED MONOLAYERS; LIGHT-EMITTING-DIODES; PHOTOVOLTAIC CELLS; WORK FUNCTION; MOLECULAR MONOLAYERS; TANDEM POLYMER; ZNO AB Interfacial energy level alignment influences several critical organic optoelectronic device characteristics including charge transfer barriers, turn-on voltage, and open circuit voltage (V-oc). Introduction of dipolar molecular monolayers on metal oxide surfaces has allowed improvements in device performance as well as fundamental studies of energy level alignment in these devices. We demonstrate that dipolar mixed monolayers can be covalently bonded to zinc oxide (ZnO) through the triethoxysilane chemical attachment scheme, and that these monolayers tune the work function of the ZnO surface over 0.6 eV. We then employ mixed monolayer-treated ZnO surfaces as the electron-selective contact in inverted bulk heterojunction photovoltaic devices to determine the correlation between the V-oc and the work function of the contact. We find the relationship of 0.14 V eV(-1) between the V-oc and contact work function is consistent with current results and theories of contact influence on V-oc. C1 [Brenner, Thomas M.; Chen, Gang; Meinig, Erich P.; Baker, Darick J.; Collins, Reuben T.; Furtak, Thomas E.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Olson, Dana C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Collins, RT (reprint author), Colorado Sch Mines, Dept Phys, 1523 Illinois St, Golden, CO 80401 USA. EM rtcollin@mines.edu; tfurtak@mines.edu RI Collins, Reuben/O-2545-2014 OI Collins, Reuben/0000-0001-7910-3819 NR 67 TC 9 Z9 9 U1 3 U2 30 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 EI 2050-7534 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2013 VL 1 IS 37 BP 5935 EP 5943 DI 10.1039/c3tc30881b PG 9 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 209MY UT WOS:000323763000016 ER PT J AU Wellons, MS Gai, Z Shen, J Bentley, J Wittig, JE Lukehart, CM AF Wellons, Matthew S. Gai, Zheng Shen, Jian Bentley, James Wittig, James E. Lukehart, Charles M. TI Synthesis of L1(0) ferromagnetic CoPt nanopowders using a single-source molecular precursor and water-soluble support SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID TEMPERATURE CHEMICAL-REDUCTION; MAGNETIC-PROPERTIES; POLYOL-PROCESS; FEPT NANOPARTICLES; HIGH COERCIVITY; MONOLAYER FILM; IN-SITU; CATALYSTS; GROWTH AB Reductive decomposition of CoPt(CO)(4)(dppe)Me/NaCl composite powder (2 : 98 CoPt precursor : NaCl mass ratio) at 650 degrees C under getter gas (9 : 1 N-2/H-2) gives black CoPt/NaCl nanocomposites with minimal CoPt nanoparticle coalescence. Aqueous dissolution of the NaCl support permits isolation of ferromagnetic L1(0) CoPt nanoparticles of ca. 11 nm average diameter as free-flowing black powders. As-prepared CoPt nanopowders exhibit moderate coercivity (4.0 kOe) at 300 K and high coercivity (26.0 kOe) at 5 K consistent with formation of polydisperse L1(0) CoPt nanoparticles having high purity and high crystallinity. Co1Pt1 nanoparticles are formed with good control of alloy stoichiometry using a single-source precursor by a convenient, scalable single-step process. C1 [Wellons, Matthew S.; Lukehart, Charles M.] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA. [Gai, Zheng; Bentley, James] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Shen, Jian] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Wittig, James E.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. RP Lukehart, CM (reprint author), Vanderbilt Univ, Dept Chem, Box 1583, Nashville, TN 37235 USA. EM chuck.lukehart@vanderbilt.edu RI Gai, Zheng/B-5327-2012 OI Gai, Zheng/0000-0002-6099-4559 FU Vanderbilt University; Division of Scientific User Facilities, Office of Science, U.S. Department of Energy; U.S. Department of Energy [DE-AC05-00OR22725]; DOE-BES [DE-SC0006877] FX Financial supported from a Vanderbilt University Discovery Grant is gratefully acknowledged by J.E.W. and C. M. L. Portions of this research were conducted at the Center for Nanophase Materials Sciences and at the SHaRE User Facility of Oak Ridge National Laboratory, both supported by the Division of Scientific User Facilities, Office of Science, U.S. Department of Energy. ORNL is managed by UT-Batelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. Work shown in this paper was supported by DOE-BES Grant DE-SC0006877. NR 49 TC 4 Z9 4 U1 1 U2 21 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2013 VL 1 IS 37 BP 5976 EP 5980 DI 10.1039/c3tc31232a PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 209MY UT WOS:000323763000021 ER PT J AU Rodriguez-Haas, B Finney, L Vogt, S Gonzalez-Melendi, P Imperial, J Gonzalez-Guerrero, M AF Rodriguez-Haas, Benjamin Finney, Lydia Vogt, Stefan Gonzalez-Melendi, Pablo Imperial, Juan Gonzalez-Guerrero, Manuel TI Iron distribution through the developmental stages of Medicago truncatula nodules SO METALLOMICS LA English DT Article ID FLUORESCENCE MICROSCOPY REVEALS; SYMBIOTIC NITROGEN-FIXATION; LUPINUS-ANGUSTIFOLIUS L; METAL-ION TRANSPORTERS; RHIZOBIUM-MELILOTI; ALFALFA NODULES; LOTUS-JAPONICUS; PLANTS; NODULATION; HOMEOSTASIS AB Paramount to symbiotic nitrogen fixation (SNF) is the synthesis of a number of metalloenzymes that use iron as a critical component of their catalytical core. Since this process is carried out by endosymbiotic rhizobia living in legume root nodules, the mechanisms involved in iron delivery to the rhizobia-containing cells are critical for SNF. In order to gain insight into iron transport to the nodule, we have used synchrotron-based X-ray fluorescence to determine the spatio-temporal distribution of this metal in nodules of the legume Medicago truncatula with hitherto unattained sensitivity and resolution. The data support a model in which iron is released from the vasculature into the apoplast of the infection/differentiation zone of the nodule (zone II). The infected cell subsequently takes up this apoplastic iron and delivers it to the symbiosome and the secretory system to synthesize ferroproteins. Upon senescence, iron is relocated to the vasculature to be reused by the shoot. These observations highlight the important role of yet to be discovered metal transporters in iron compartmentalization in the nodule and in the recovery of an essential and scarce nutrient for flowering and seed production. C1 [Rodriguez-Haas, Benjamin; Gonzalez-Melendi, Pablo; Imperial, Juan; Gonzalez-Guerrero, Manuel] Univ Politecn Madrid, Ctr Biotecnol & Genom Plantas, Madrid 28223, Spain. [Finney, Lydia; Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Imperial, Juan] CSIC, Madrid, Spain. RP Gonzalez-Guerrero, M (reprint author), Univ Politecn Madrid, Ctr Biotecnol & Genom Plantas, Campus Montegancedo,Crta M40 Km 37, Madrid 28223, Spain. EM manuel.gonzalez@upm.es RI Gonzalez-Melendi, Pablo/K-1604-2014; imperial, Juan/G-3925-2015; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; Gonzalez-Guerrero, Manuel/E-7338-2011 OI Gonzalez-Melendi, Pablo/0000-0003-4355-4495; imperial, Juan/0000-0002-5002-6458; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Gonzalez-Guerrero, Manuel/0000-0001-7334-5286 FU Ramon y Cajal Fellowship [RYC-2010-06363]; Marie Curie International Reintegration Grant MENOMED; U.S. Department of Energy [DE-AC02-06CH11357] FX This work was supported by the Ramon y Cajal Fellowship RYC-2010-06363, and the Marie Curie International Reintegration Grant MENOMED (both to MGG). Use of the Advanced Photon Source was supported by the U.S. Department of Energy under contract number DE-AC02-06CH11357. We thank Dr Benoit Lefebvre (LIPM) for providing M. truncatula seeds, Drs Michael Udvardi and Igor Kryvoruchko (Noble Foundation) for critical reading of the manuscript and helpful discussion, and Drs Jose Rodrigo and Javier de Felipe (Centro de Tecnologia Biomedica, UPM) for their help in preparing thin sections. NR 51 TC 10 Z9 10 U1 1 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1756-5901 J9 METALLOMICS JI Metallomics PY 2013 VL 5 IS 9 BP 1247 EP 1253 DI 10.1039/c3mt00060e PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 206LD UT WOS:000323521400014 PM 23765084 ER PT J AU Noh, SH Seo, MH Seo, JK Fischer, P Han, B AF Noh, Seung Hyo Seo, Min Ho Seo, Joon Kyo Fischer, Peter Han, Byungchan TI First principles computational study on the electrochemical stability of Pt-Co nanocatalysts SO NANOSCALE LA English DT Article ID OXYGEN-REDUCTION ELECTROCATALYSTS; SHELL NANOPARTICLE ELECTROCATALYSTS; DENSITY-FUNCTIONAL THEORY; FUEL-CELL CATHODES; PLATINUM MONOLAYER; ELECTRONIC-PROPERTIES; TRANSITION-METALS; ALLOY CATALYSTS; SURFACES; ENERGY AB Using density functional theory (DFT) calculations, we identify the thermodynamically stable configurations of Pt-Co alloy nanoparticles of varying Co compositions and particle sizes. Our results indicate that the most thermodynamically stable structure is a shell-by-shell configuration where the Pt atom only shell and the Co only shell alternately stack and the outermost shell consists of a Pt skin layer. DFT calculations show that the structure has substantially higher dissolution potential of the outermost Pt shell compared with pure Pt nanoparticles of approximately the same size. Furthermore, our DFT calculations also propose that the shell-by-shell structure shows much better oxygen reduction reaction (ORR) activity than conventional bulk or nanoparticles of pure Pt. These novel catalyst properties can be changed when the surfaces are adsorbed with oxygen atoms via selective segregation followed by the electrochemical dissolution of the alloyed Co atoms. However, these phenomena are thermodynamically not plausible if the chemical potentials of oxygen are controlled below a certain level. Therefore, we propose that the shell-by-shell structures are promising candidates for highly functional catalysts in fuel cell applications. C1 [Noh, Seung Hyo; Seo, Min Ho; Seo, Joon Kyo; Han, Byungchan] DGIST, Dept Energy Syst Engn, Taegu 711873, South Korea. [Han, Byungchan] DGIST, DGIST LBNL Joint Res Ctr, Taegu 711873, South Korea. [Fischer, Peter] CXRO LBNL, Berkeley, CA 94720 USA. RP Han, B (reprint author), DGIST, Dept Energy Syst Engn, Taegu 711873, South Korea. EM hanbc@dgist.ac.kr RI Fischer, Peter/A-3020-2010; OI Fischer, Peter/0000-0002-9824-9343; HAN, BYUNGCHAN/0000-0002-2325-6733 FU Leading Foreign Research Institute Recruitment Program through National Research Foundation of Korea (NRF); Ministry of Education, Science and Technology (MEST) [2012K1A4A3053565]; Ministry of Knowledge Economy, Republic of Korea [20113020030020]; IT R&D Program of MKE/KEIT [10041856] FX This research was supported by the Leading Foreign Research Institute Recruitment Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (MEST) (2012K1A4A3053565). This work was supported by New and Renewable Energy R&D Program (20113020030020) under the Ministry of Knowledge Economy, Republic of Korea and by the IT R&D Program of MKE/KEIT (10041856). The Korea Institute of Science and Technology Information (KISTI) generously allowed us to use the supercomputing facility (KSC-2013-C2-010). NR 50 TC 31 Z9 31 U1 4 U2 72 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 J9 NANOSCALE JI Nanoscale PY 2013 VL 5 IS 18 BP 8625 EP 8633 DI 10.1039/c3nr02611f PG 9 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 206KZ UT WOS:000323521000042 PM 23897215 ER PT S AU Buric, MP Mullen, J Woodruff, SD Chorpening, B AF Buric, M. P. Mullen, J. Woodruff, S. D. Chorpening, B. BE Druy, MA Crocombe, RA TI Design and industrial testing of ultra-fast multi-gas Raman spectrometer SO NEXT-GENERATION SPECTROSCOPIC TECHNOLOGIES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Next-Generation Spectroscopic Technologies VI CY APR 29-30, 2013 CL Baltimore, MD SP SPIE DE Raman spectroscopy; gas analysis; real-time sensing; instrument development ID HOLLOW FIBERS AB We previously reported the use of hollow metal and dielectric lined waveguides as gas cells used in real-time Raman spectroscopy of gas mixtures. Our team has constructed a multi-gas Raman sensor system capable of measuring molecular components in most gas mixtures with sub-percent accuracy and a sub-second sampling rate. This combination of speed and accuracy is enabled by the novel combination of optimized sample-cell collection and appropriate gas-stream configuration. Here, we discuss the new state-of-the-art in Raman process-gas analysis and share relevant testing data on our optimized system for potential industrial end-users. We conclude that a paradigm shift in technology for gas measurement applications could result from the instrumentation developed herein. C1 [Buric, M. P.; Mullen, J.; Woodruff, S. D.; Chorpening, B.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Buric, MP (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM michael.buric@netl.doe.gov NR 14 TC 5 Z9 5 U1 2 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9517-4 J9 PROC SPIE PY 2013 VL 8726 AR UNSP 87260K DI 10.1117/12.2015948 PG 10 WC Optics; Spectroscopy SC Optics; Spectroscopy GA BGM16 UT WOS:000323486900014 ER PT S AU Fox, RV Roberts, L DeLucia, FC Miziolek, AW Whitehouse, AI AF Fox, Robert V. Roberts, Lauren DeLucia, Frank C., Jr. Miziolek, Andrzej W. Whitehouse, Andrew I. BE Druy, MA Crocombe, RA TI A novel laser-based approach for cleaning contaminated metallic surfaces coupled with rapid residue analysis SO NEXT-GENERATION SPECTROSCOPIC TECHNOLOGIES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Next-Generation Spectroscopic Technologies VI CY APR 29-30, 2013 CL Baltimore, MD SP SPIE DE laser-induced breakdown spectroscopy (LIBS); laser cleaning; contaminated surface analysis; chemical munitions; arsenic ID STAINLESS-STEEL; REMOVAL; PARTICLES; OXIDES; LAYERS; FILMS AB We are developing a novel approach for cleaning and confirming contaminated metallic surfaces that is based on laser ablation to clean the surfaces followed closely in time and space by laser analysis of the degree of cleanliness. Laser-based surface cleaning is a well-established technology and is commercially available (e. g., Adapt-Laser). The new development involves the integration of a LIBS (Laser Induced Breakdown Spectroscopy) surface analytical capability to analyze the surface before and right after the laser cleaning step for the presence or absence of unwanted residues. This all-laser approach is being applied to surfaces of steel vessels that have been used for the containment and destruction of chemical munitions. Various processes used for the destruction of chemical munitions result in the creation of oxidized steel surfaces containing residues (e. g., arsenic, mercury) that need to be removed to acceptable levels. In many instances inorganic molecular contaminants become integrated into oxide layers, necessitating complete removal of the oxide layer to achieve ideal levels of surface cleanliness. The focus of this study is on oxidized steel surfaces exposed to thermally decomposed Lewisite, and thus laden with arsenic. We demonstrate here that a commercially-available cleaning laser sufficiently removes the oxide coating and the targeted contaminants from the affected steel surface. Additionally, we demonstrate that LIBS is useful for the identification of arsenic and mercury on steel surfaces before and after laser cleaning, with arsenic being specifically tracked and analyzed at levels less than 1 microgram per square centimeter surface loading. Recent progress and future directions are presented and discussed. C1 [Fox, Robert V.; Roberts, Lauren] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Fox, RV (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM robert.fox@inl.gov NR 22 TC 1 Z9 1 U1 2 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9517-4 J9 PROC SPIE PY 2013 VL 8726 AR UNSP 87260N DI 10.1117/12.2017893 PG 16 WC Optics; Spectroscopy SC Optics; Spectroscopy GA BGM16 UT WOS:000323486900016 ER PT S AU Phillips, MC Taubman, MS AF Phillips, Mark C. Taubman, Matthew S. BE Druy, MA Crocombe, RA TI Trace-gas sensing using the compliance voltage of an external cavity quantum cascade laser SO NEXT-GENERATION SPECTROSCOPIC TECHNOLOGIES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Next-Generation Spectroscopic Technologies VI CY APR 29-30, 2013 CL Baltimore, MD SP SPIE DE Infrared spectroscopy; quantum cascade laser; tunable laser; trace-gas sensing ID SPECTROSCOPY AB We present experimental demonstration of a new chemical sensing technique based on intracavity absorption in an external cavity quantum cascade laser (ECQCL). This new technique eliminates the need for an infrared photodetector and gas cell by detecting the intracavity absorption spectrum in the compliance voltage of the laser device itself. To demonstrate and characterize the technique, we measure infrared absorption spectra of chemicals including acetone and Freon-134a. Sub-ppm detection limits in one second are achieved, with the potential for increased sensitivity after further optimization. The technique enables development of handheld, high-sensitivity, and high-accuracy trace gas sensors for in-field use. C1 [Phillips, Mark C.; Taubman, Matthew S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Phillips, MC (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM mark.phillips@pnnl.gov NR 15 TC 2 Z9 2 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9517-4 J9 PROC SPIE PY 2013 VL 8726 AR UNSP 87260D DI 10.1117/12.2015858 PG 7 WC Optics; Spectroscopy SC Optics; Spectroscopy GA BGM16 UT WOS:000323486900008 ER PT S AU Bernacki, BE Tedeschi, JR Kelly, JF Sheen, DM Hall, TE Valdez, PLJ Lechelt, WM McMakin, DL AF Bernacki, Bruce E. Tedeschi, Jonathan R. Kelly, James F. Sheen, David M. Hall, Thomas E. Valdez, Patrick L. J. Lechelt, Wayne M. McMakin, Douglas L. BE Wikner, DA Luukanen, AR TI Fully polarimetric differential intensity W-band imager SO PASSIVE AND ACTIVE MILLIMETER-WAVE IMAGING XVI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Passive and Active Millimeter-Wave Imaging XVI CY MAY 02, 2013 CL Baltimore, MD SP SPIE DE passive millimeter wave imager; differential millimeter wave imager; polarimetric millimeter wave imager AB We present a novel architecture based upon a Dicke-switched heterodyne radiometer architecture employing two identical input sections consisting of horn and orthomode transducer to detect the difference between the horizontal (H) and vertical (V) polarization states of two separate object patches imaged by the radiometer. We have constructed and described previously a fully polarimetric W-band passive millimeter wave imager constructed to study the phenomenology of anomaly detection using polarimetric image exploitation of the Stokes images. The heterodyne radiometer used a PIN diode switch between the input millimeter wave energy and that of a reference load in order to eliminate the effects of component drifts and to reduce the effects of 1/f noise. The differential approach differs from our previous work by comparing H and V polarization states detected by each of two input horns instead of a reference load to form signals Delta H and Delta V from adjacent paired object patches. This novel imaging approach reduces common mode noise and enhances detection of small changes between the H and V polarization states of two object patches, now given as difference terms of the fully polarimetric radiometer. We present the theory of operation, initial proof of concept experimental results, and extension of the differential radiometer to a system with a binocular fore optics that allow adjustment of the convergence or shear of the object patches as viewed by the differential polarimetric imager. C1 [Bernacki, Bruce E.; Tedeschi, Jonathan R.; Kelly, James F.; Sheen, David M.; Hall, Thomas E.; Valdez, Patrick L. J.; Lechelt, Wayne M.; McMakin, Douglas L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bernacki, BE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM bruce.bernacki@pnnl.gov NR 8 TC 0 Z9 0 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9506-8 J9 PROC SPIE PY 2013 VL 8715 AR UNSP 87150G DI 10.1117/12.2015193 PG 7 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BGO19 UT WOS:000323614300014 ER PT S AU Fernandes, JL Tedeschi, JR Sheen, DM McMakin, DL AF Fernandes, Justin L. Tedeschi, Jonathan R. Sheen, David M. McMakin, Douglas L. BE Wikner, DA Luukanen, AR TI Three-dimensional Millimeter-Wave Imaging for Concealed Threat Detection in Shoes SO PASSIVE AND ACTIVE MILLIMETER-WAVE IMAGING XVI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Passive and Active Millimeter-Wave Imaging XVI CY MAY 02, 2013 CL Baltimore, MD SP SPIE DE Millimeter-wave; three-dimensional imaging; concealed threat detection; personnel screening AB This paper describes a study performed at the Pacific Northwest National Laboratory which investigated the use of active millimeter-wave radar imaging to perform threat detection in non-divested shoes. The purpose of this study was to determine the optimal imaging system configuration for performing this type of task. While active millimeter-wave imaging systems have pro oven to be effective for personnel screening the phenomenology associated with imaging within a heterogeneous medium, such as a shoe, dictate limits for imaging system parameters. Scattering, defocusing, and multipath artifacts are significantly exaggerated due to the high contrast index of refraction associated with the boundary at the air and shoe interface. W While higher center-frequency and bandwidth result in m much improve lateral and range res solution in the body scanning application, smaller wavelengths are significantly defocused after penetrating the sole of the shoe. Increased bandwidth, however, is essential for the shoe scanning application as well. Obtaining fine enough depth resolution is critical in separating the scattering contribution of each layer of the shoes in range to isolate possible threats embedded within the sole. In the paper, the results of a stud to optimize the following imaging system parameters are presented: antenna illumination beamwidth, antenna polarization, transceiver bandwidth, and physical scanning geometry C1 [Fernandes, Justin L.; Tedeschi, Jonathan R.; Sheen, David M.; McMakin, Douglas L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Fernandes, JL (reprint author), Pacific NW Natl Lab, 902 Battle Blvd, Richland, WA 99352 USA. NR 3 TC 0 Z9 0 U1 2 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9506-8 J9 PROC SPIE PY 2013 VL 8715 AR UNSP 87150C DI 10.1117/12.2016612 PG 8 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BGO19 UT WOS:000323614300010 ER PT S AU Sheen, DM Fernandes, JL Tedeschi, JR McMakin, DL Jones, AM Lechelt, WM Severtsen, RH AF Sheen, David M. Fernandes, Justin L. Tedeschi, Jonathan R. McMakin, Douglas L. Jones, A. Mark Lechelt, Wayne M. Severtsen, Ronald H. BE Wikner, DA Luukanen, AR TI Wide-bandwidth, wide-beamwidth, high-resolution, millimeter-wave imaging for concealed weapon detection SO PASSIVE AND ACTIVE MILLIMETER-WAVE IMAGING XVI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Passive and Active Millimeter-Wave Imaging XVI CY MAY 02, 2013 CL Baltimore, MD SP SPIE DE Millimeter waves; imaging; personnel surveillance; personnel screening; concealed-weapon detection ID SYSTEM AB Active millimeter-wave imaging is currently being used for personnel screening at airports and other high-security facilities. The cylindrical imaging techniques used in the deployed systems are based on licensed technology developed at the Pacific Northwest National Laboratory. The cylindrical and a related planar imaging technique form three-dimensional images by scanning a diverging beam swept frequency transceiver over a two-dimensional aperture and mathematically focusing or reconstructing the data into three-dimensional images of the person being screened. The resolution, clothing penetration, and image illumination quality obtained with these techniques can be significantly enhanced through the selection of the aperture size, antenna beamwidth, center frequency, and bandwidth. The lateral resolution can be improved by increasing the center frequency, or it can be increased with a larger antenna beamwidth. The wide beamwidth approach can significantly improve illumination quality relative to a higher frequency system. Additionally, a wide antenna beamwidth allows for operation at a lower center frequency resulting in less scattering and attenuation from the clothing. The depth resolution of the system can be improved by increasing the bandwidth. Utilization of extremely wide bandwidths of up to 30 GHz can result in depth resolution as fine as 5 mm. This wider bandwidth operation may allow for improved detection techniques based on high range resolution. In this paper, the results of an extensive imaging study that explored the advantages of using extremely wide beamwidth and bandwidth are presented, primarily for 10 - 40 GHz frequency band. C1 [Sheen, David M.; Fernandes, Justin L.; Tedeschi, Jonathan R.; McMakin, Douglas L.; Jones, A. Mark; Lechelt, Wayne M.; Severtsen, Ronald H.] Battelle Mem Inst, US Dept Energy, Pacific NW Natl Lab, Richland, WA 99352 USA. RP Sheen, DM (reprint author), Battelle Mem Inst, US Dept Energy, Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM david.sheen@pnl.gov NR 9 TC 3 Z9 5 U1 4 U2 21 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9506-8 J9 PROC SPIE PY 2013 VL 8715 AR UNSP 871509 DI 10.1117/12.2016132 PG 11 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BGO19 UT WOS:000323614300007 ER PT J AU Hu, DH Zhao, BM Xie, YM Orr, G Li, ADQ AF Hu, Dehong Zhao, Baoming Xie, Yumei Orr, Galya Li, Alexander D. Q. TI Understanding super-resolution nanoscopy and its biological applications in cell imaging SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID PHOTOACTIVATION LOCALIZATION MICROSCOPY; SINGLE-MOLECULE LOCALIZATION; FLUORESCENT-PROBES AB Optical microscopy has been an ideal tool for studying phenomena in live cells because visible light at reasonable intensity does not perturb much of the normal biological functions. However, optical resolution using visible light is significantly limited by the wavelength. Overcoming this diffraction-limit barrier will reveal biological mechanisms, cellular structures, and physiological processes at a nanometer scale, orders of magnitude lower than current optical microscopy. Although this appears to be a daunting task, recently developed photoswitchable probes enable reconstruction of individual images into a super-resolution image, thus the emergence of nanoscopy. Harnessing the resolution power of nanoscopy, we report here nano-resolution fluorescence imaging of microtubules and their network structures in biological cells. The super-resolution nanoscopy successfully resolved nanostructures of a microtubule network-a daunting task that cannot be completed using conventional wide-field microscopy. C1 [Hu, Dehong; Xie, Yumei; Orr, Galya] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Zhao, Baoming; Li, Alexander D. Q.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. RP Li, ADQ (reprint author), Washington State Univ, Dept Chem, Pullman, WA 99164 USA. EM dequan@wsu.edu RI Hu, Dehong/B-4650-2010 OI Hu, Dehong/0000-0002-3974-2963 FU National Natural Science Foundation [CHE-1213358, CHE-1212429]; Department of Energy's Office of Biological and Environmental Research FX This work was partially supported by National Natural Science Foundation (CHE-1213358 and CHE-1212429). Part of the work was performed at EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at PNNL. NR 23 TC 1 Z9 1 U1 3 U2 27 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 36 BP 14856 EP 14861 DI 10.1039/c3cp51629f PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 206KW UT WOS:000323520600003 PM 23739871 ER PT J AU Arnold, MS Blackburn, JL Crochet, JJ Doorn, SK Duque, JG Mohite, A Telg, H AF Arnold, Michael S. Blackburn, Jeffrey L. Crochet, Jared J. Doorn, Stephen K. Duque, Juan G. Mohite, Aditya Telg, Hagen TI Recent developments in the photophysics of single-walled carbon nanotubes for their use as active and passive material elements in thin film photovoltaics SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID DENSITY-GRADIENT ULTRACENTRIFUGATION; DEPENDENT FLUORESCENCE EFFICIENCIES; EXCITON DIFFUSION LENGTH; SODIUM DODECYL-SULFATE; ORGANIC SOLAR-CELLS; PHOTOCURRENT SPECTROSCOPY; ELECTRONIC-STRUCTURE; OPTICAL-PROPERTIES; CHARGE-TRANSFER; ENERGY-TRANSFER AB The search for environmentally clean energy sources has spawned a wave of research into the use of carbon nanomaterials for photovoltaic applications. In particular, research using semiconducting single-walled carbon nanotubes has undergone dramatic transformations due to the availability of high quality samples through colloidal separation techniques. This has led to breakthrough discoveries on how energy and charge transport occurs in these materials and points to applications in energy harvesting. We present a review of the relevant photophysics of carbon nanotubes that dictate processes important for integration as active and passive material elements in thin film photovoltaics. Fundamental processes ranging from light absorption and internal conversion to exciton transport and dissociation are discussed in detail from both a spectroscopic and a device perspective. We also give a perspective on the future of these fascinating materials to be used as active and passive material elements in photovoltaics. C1 [Arnold, Michael S.] Univ Wisconsin, Mat Sci Program, Madison, WI 53706 USA. [Arnold, Michael S.] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. [Blackburn, Jeffrey L.] Natl Renewable Energy Lab, Golden, CO USA. [Crochet, Jared J.; Duque, Juan G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Doorn, Stephen K.; Mohite, Aditya; Telg, Hagen] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Crochet, JJ (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM jcrochet@lanl.gov RI Telg, Hagen/O-3348-2013; Arnold, Michael/L-9112-2015; OI Telg, Hagen/0000-0002-4911-2703; Crochet, Jared/0000-0002-9570-2173 FU Air Force Office of Scientific Research [FA9550-12-1-0063]; National Science Foundation through the University of Wisconsin-Madison Center of Excellence for Materials Research and Innovation [DMR-1121288]; National Science Foundation [DMR-0905861]; U.S. Army Research Office [W911NF-12-1-0025]; 3M Non-Tenured Faculty Grant; Solar Photochemistry program of the U.S. Department of Energy, Office of Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-AC36-08GO28308]; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX MSA acknowledges support from the Air Force Office of Scientific Research (FA9550-12-1-0063), the National Science Foundation through the University of Wisconsin-Madison Center of Excellence for Materials Research and Innovation (DMR-1121288), the National Science Foundation (DMR-0905861), the U.S. Army Research Office (W911NF-12-1-0025), and a 3M Non-Tenured Faculty Grant. JLB graciously acknowledges funding from the Solar Photochemistry program of the U.S. Department of Energy, Office of Sciences, Division of Chemical Sciences, Geosciences and Biosciences, under Contract No. DE-AC36-08GO28308 to NREL. 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 and partially supported by the LANL LDRD program. Los Alamos National Laboratory 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 228 TC 47 Z9 47 U1 2 U2 95 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 36 BP 14896 EP 14918 DI 10.1039/c3cp52752b PG 23 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 206KW UT WOS:000323520600008 PM 23913009 ER PT J AU Shao, MH Smith, BH Guerrero, S Protsailo, L Su, D Kaneko, K Odell, JH Humbert, MP Sasaki, K Marzullo, J Darling, RM AF Shao, Minhua Smith, Brandon H. Guerrero, Sandra Protsailo, Lesia Su, Dong Kaneko, Keiichi Odell, Jonathan H. Humbert, Michael P. Sasaki, Kotaro Marzullo, Jesse Darling, Robert M. TI Core-shell catalysts consisting of nanoporous cores for oxygen reduction reaction SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID SINGLE-CRYSTAL ELECTRODES; TO-CARBON RATIO; UNDERPOTENTIAL DEPOSITION; METAL NANOPARTICLES; RELATIVE-HUMIDITY; ELECTROCATALYSTS; SURFACES; ALLOY; PERFORMANCE; ADSORPTION AB A comprehensive experimental study was conducted on the dealloying of PdNi6 nanoparticles under various conditions. A two-stage dealloying protocol was developed to leach >95% of Ni while minimizing the dissolution of Pd. The final structure of the dealloyed particle was strongly dependent on the acid used and temperature. When H2SO4 and HNO3 solutions were used in the first stage of dealloying, solid and porous particles were generated, respectively. The porous particles have a 3-fold higher electrochemical surface area per Pd mass than the solid ones. The dealloyed PdNi6 nanoparticles were then used as a core material for the synthesis of core-shell catalysts. These catalysts were synthesized in gram-size batches and involved Pt displacement of an underpotentially deposited (UPD) Cu monolayer. The resulting materials were characterized by scanning transmission electron microscopy (STEM) and in situ X-ray diffraction (XRD). The oxygen reduction reaction (ORR) activity of the core-shell catalysts is 7-fold higher than the state-of-the-art Pt/C. The high activity was confirmed by a more than 40 mV improvement in fuel cell performance with a Pt loading of 0.1 mg cm(-2) by using the core-shell catalysts. C1 [Shao, Minhua; Smith, Brandon H.; Guerrero, Sandra; Protsailo, Lesia; Odell, Jonathan H.; Humbert, Michael P.; Marzullo, Jesse; Darling, Robert M.] UTC Power, South Windsor, CT 06074 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Kaneko, Keiichi] Toyota Motor Engn & Mfg North Amer Inc, Ann Arbor, MI 48105 USA. [Sasaki, Kotaro] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Shao, MH (reprint author), Ford Motor Co, Dearborn, MI 48124 USA. EM Minhua@gmail.com RI Su, Dong/A-8233-2013; OI Su, Dong/0000-0002-1921-6683; Shao, Minhua/0000-0003-4496-0057 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Synchrotron Catalysis Consortium (DOE BES grant) [DE-FG02-03ER15688] FX Use of the National Synchrotron Light Source (NSLS) and Center for Functional Nanomaterials (CFN) at Brookhaven National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Beamlines X18A and X18B at the NSLS are supported in part by the Synchrotron Catalysis Consortium (DOE BES grant DE-FG02-03ER15688). NR 47 TC 18 Z9 18 U1 6 U2 112 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 36 BP 15078 EP 15090 DI 10.1039/c3cp52252k PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 206KW UT WOS:000323520600028 PM 23925477 ER PT J AU Andersson, DA Stanek, CR AF Andersson, David A. Stanek, Christopher R. TI Mixing and non-stoichiometry in Fe-Ni-Cr-Zn-O spinel compounds: density functional theory calculations SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID BRILLOUIN-ZONE INTEGRATIONS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; CATION DISTRIBUTION; SOLID-SOLUTIONS; THERMODYNAMIC PROPERTIES; MAGNETIC-PROPERTIES; HIGH-TEMPERATURE; TRANSITION-TEMPERATURE; STRUCTURAL STABILITY AB Density functional theory (DFT) calculations have been performed on A(2+)B(2)(3+)O(4)(2-) (where A(2+) = Fe, Ni or Zn, and B3+ = Fe or Cr) spinel oxides in order to determine some of their thermodynamic properties. Mixing energies were calculated for Fe3O4-NiFe2O4, Fe3O4-ZnFe2O4, Fe3O4-FeCr2O4, NiFe2O4-ZnFe2O4, NiFe2O4-NiCr2O4, FeCr2O4-NiCr2O4, FeCr2O4-ZnCr2O4 and ZnCr2O4-ZnFe2O4 pseudo-binaries based on special quasi random (SQS) structures to account for cationic disorder. The results generally agree with available experimental data and the rule that two normal or two inverse spinel compounds easily form solid solutions, while inverse-normal spinel mixtures exhibit positive deviation from solid solution behavior (i.e. immiscibility). Even though the NiFe2O4-NiCr2O4 and Fe3O4-FeCr2O4 systems obey this rule, they exhibit additional features with implications for the corresponding phase diagrams. In addition to mixing enthalpies, non-stoichiometry was also considered by calculating the energies of the relevant defect reactions resulting in A, B and O excess (or deficiency). The DFT calculations predict close to zero or slightly exothermic reactions for both A and B excess in a number of spinel compounds. C1 [Andersson, David A.; Stanek, Christopher R.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Andersson, DA (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM andersson@lanl.gov FU Consortium for Advanced Simulation of Light Water Reactors (CASL) program of the US DOE Office of Nuclear Energy FX This work was supported by the Consortium for Advanced Simulation of Light Water Reactors (CASL) program of the US DOE Office of Nuclear Energy. NR 106 TC 15 Z9 15 U1 8 U2 44 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2013 VL 15 IS 37 BP 15550 EP 15564 DI 10.1039/c3cp50312g PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 209BF UT WOS:000323727800034 PM 23942481 ER PT S AU Doerry, AW Marquette, B AF Doerry, A. W. Marquette, B. BE Ranney, KI Doerry, A TI Compound radar waveforms with multiple frames SO RADAR SENSOR TECHNOLOGY XVII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XVII CY APR 29-MAY 01, 2013 CL Baltimore, MD SP SPIE DE radar; pulse; waveform; modulation AB A pulse may be divided into contiguous sequential frames, sometimes called sub-pulses. In a typical pulse-Doppler radar, receiving echo energy must be deferred until after the entire pulse waveform is transmitted. This sets a nearest possible range at which the beginning of the echo pulse can be processed. However, even when early frames or portions of frames are occluded or eclipsed by the transmit pulse, the echo from later frames may still be received and processed. This allows latter frames to be received in their entirety from nearer ranges than earlier frames or the entire pulse. As long as the latter frames still exhibit the desired resolution bandwidth, no loss of resolution is suffered by processing against only the latter frames. In this manner, a compound multi-frame pulse can be processed against a larger range swath than a more conventional pulse modulation scheme. Essentially, the traditional constraints between near-range detection and pulsewidth have been considerably loosened. Relative frame durations can be optimized to allow SNR to exceed some minimum level. C1 [Doerry, A. W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA. EM awdoerr@sandia.gov; brandeis.marquette@ga-asi.com NR 2 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9505-1 J9 PROC SPIE PY 2013 VL 8714 AR UNSP 87141H DI 10.1117/12.2015327 PG 14 WC Optics; Telecommunications SC Optics; Telecommunications GA BGN39 UT WOS:000323559400048 ER PT S AU Doerry, AW Marquette, B AF Doerry, A. W. Marquette, B. BE Ranney, KI Doerry, A TI Random-phase radar waveforms with shaped spectrum SO RADAR SENSOR TECHNOLOGY XVII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XVII CY APR 29-MAY 01, 2013 CL Baltimore, MD SP SPIE DE radar; pulse; waveform; modulation; noise radar AB A random phase signal will also have random phase differences between two independent random phases. A phase increment across a time increment is in fact a phase-rate, or frequency. A phase-rate change is in fact a frequency-hop. By controlling the phase-rate, that is the characteristics of the phase increments, we can control the spectrum of the random-phase waveform. Spectrum precision and sharpness is enhanced by holding a frequency for some 'chip' length. For digitally generated phase samples, this means that the chip length needs to be many samples. This is a time-bandwidth issue. The definition of 'many' will depend on the sharpness desired, but often several tens' of samples will be adequate. To shape the Energy Spectral Density (ESD) of a random-phase signal, we need to control the average energy at various phase-rates. This can be done with either or a combination of 1) Controlling the likelihood of specific phase increments, and/or 2) Controlling the duration of a specific phase increment chip length. For range-Doppler images, it is the 2-dimensional Impulse Response (IPR) that is of principal concern. This will tend to average out the random effects of any single pulse. C1 [Doerry, A. W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA. EM awdoerr@sandia.gov; brandeis.marquette@ga-asi.com NR 6 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9505-1 J9 PROC SPIE PY 2013 VL 8714 AR UNSP 87141G DI 10.1117/12.2015326 PG 13 WC Optics; Telecommunications SC Optics; Telecommunications GA BGN39 UT WOS:000323559400047 ER PT S AU Doerry, AW Bickel, DL AF Doerry, A. W. Bickel, D. L. BE Ranney, KI Doerry, A TI A comparison of interferometric SAR antenna options SO RADAR SENSOR TECHNOLOGY XVII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XVII CY APR 29-MAY 01, 2013 CL Baltimore, MD SP SPIE DE IFSAR; InSAR; antenna; monopulse; MIMO; height noise AB Interferometric Synthetic Aperture Radar (IFSAR or InSAR) uses multiple antenna phase centers to ultimately measure target scene elevation. Its ability to do so depends on the antenna configuration, and how the multiple phase centers are employed. We examine several different dual-phase-center antenna configurations and modalities, including a conventional arrangement where a dedicated antenna is used to transmit and receive with another to receive only, a configuration where transmit and receive operations are ping-ponged between phase centers, a monopulse configuration, and an orthogonal waveform configuration. Our figure of merit is the RMS height noise in the elevation estimation. We show that a monopulse configuration is equivalent to the ping-pong scheme, and both offer an advantage over the conventional arrangement. The orthogonal waveform offers the best potential performance, if sufficient isolation can be achieved. C1 [Doerry, A. W.; Bickel, D. L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA. EM awdoerr@sandia.gov; dlbicke@sandia.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9505-1 J9 PROC SPIE PY 2013 VL 8714 AR UNSP 87141F DI 10.1117/12.2015325 PG 8 WC Optics; Telecommunications SC Optics; Telecommunications GA BGN39 UT WOS:000323559400046 ER PT S AU Musgrove, C Naething, R AF Musgrove, Cameron Naething, Richard BE Ranney, KI Doerry, A TI A Method to Evaluate Residual Phase Error for Polar Formatted Synthetic Aperture Radar Systems SO RADAR SENSOR TECHNOLOGY XVII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XVII CY APR 29-MAY 01, 2013 CL Baltimore, MD SP SPIE DE SAR; synthetic aperture radar; differential range error; phase error; scene size limits AB Synthetic aperture radar systems that use the polar format algorithm are subject to a focused scene size limit inherent to the polar format algorithm. The classic focused scene size limit is determined from the dominant residual range phase error term. Given the many sources of phase error in a synthetic aperture radar, a system designer is interested in how much phase error results from the assumptions made with the polar format algorithm. Autofocus algorithms have limits to the amount and type of phase error that can be corrected. Current methods correct only one or a few terms of the residual phase error. A system designer needs to be able to evaluate the contribution of the residual or uncorrected phase error terms to determine the new focused scene size limit. This paper describes a method to estimate the complete residual phase error, not just one or a few of the dominant residual terms. This method is demonstrated with polar format image formation, but is equally applicable to other image formation algorithms. A benefit for the system designer is that additional correction terms can be added or deleted from the analysis as necessary to evaluate the resulting effect upon image quality. C1 [Musgrove, Cameron; Naething, Richard] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Musgrove, C (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM cmusgro@sandia.gov NR 5 TC 2 Z9 2 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9505-1 J9 PROC SPIE PY 2013 VL 8714 AR UNSP 871413 DI 10.1117/12.2014929 PG 10 WC Optics; Telecommunications SC Optics; Telecommunications GA BGN39 UT WOS:000323559400035 ER PT S AU Naething, RM West, RD AF Naething, Richard M. West, Roger D. BE Ranney, KI Doerry, A TI Analysis of SAR autofocus performance SO RADAR SENSOR TECHNOLOGY XVII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XVII CY APR 29-MAY 01, 2013 CL Baltimore, MD SP SPIE DE Synthetic Aperture Radar; Phase Gradient Autofocus; Entropy; Contrast; Optimization ID PHASE CORRECTION; IMAGES AB High quality focused SAR imaging dictates that the relative phase error over an aperture must be kept below a fraction of a wavelength. On most deployed SAR systems the internal measurement systems ability to measure position uncertainty is not sufficient to achieve this required precision. This necessitates an additional post-processing step of data-driven phase error mitigation known as autofocus. We present results comparing the performance of a variety of autofocus techniques including image metric optimization based techniques and several variants of phase gradient autofocus (PGA). The degree of focusing is evaluated with an image focus metric, specific to SAR images, that is not biased toward any particular autofocus algorithm. This evaluation is performed on a variety of scene types using injected (known) phase errors. We show that PGA autofocus outperforms the image metric optimization techniques tested (based on minimizing image entropy) in low contrast SAR scenes. C1 [Naething, Richard M.; West, Roger D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Naething, RM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rmnaeth@sandia.gov; rdwest@sandia.gov NR 14 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9505-1 J9 PROC SPIE PY 2013 VL 8714 AR UNSP 871414 DI 10.1117/12.2016278 PG 12 WC Optics; Telecommunications SC Optics; Telecommunications GA BGN39 UT WOS:000323559400036 ER PT S AU McClean, J Stull, C Farrar, C Mascarenas, D AF McClean, Jarrod Stull, Christopher Farrar, Charles Mascarenas, David BE Karlsen, RE Gage, DW Shoemaker, CM Gerhart, GR TI A Preliminary Cyber-Physical Security Assessment of the Robot Operating System (ROS) SO UNMANNED SYSTEMS TECHNOLOGY XV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Unmanned Systems Technology XV CY MAY 01-03, 2013 CL Baltimore, MD SP SPIE DE Cyber-physical security; robotic security; honeypot AB Over the course of the last few years, the Robot Operating System (ROS) has become a highly popular software framework for robotics research. ROS has a very active developer community and is widely used for robotics research in both academia and government labs. The prevalence and modularity of ROS cause many people to ask the question: "What prevents ROS from being used in commercial or government applications?" One of the main problems that is preventing this increased use of ROS in these applications is the question of characterizing its security (or lack thereof). In the summer of 2012, a crowd sourced cyber-physical security contest was launched at the cyber security conference DEF CON 20 to begin the process of characterizing the security of ROS. A small-scale, car-like robot was configured as a cyber-physical security "honeypot" running ROS. DEFFCON-20 attendees were invited to find exploits and vulnerabilities in the robot while network traffic was collected. The results of this experiment provided some interesting insights and opened up many security questions pertaining to deployed robotic systems. The Federal Aviation Administration is tasked with opening up the civil airspace to commercial drones by September 2015 and driverless cars are already legal for research purposes in a number of states. Given the integration of these robotic devices into our daily lives, the authors pose the following question: "What security exploits can a motivated person with little-to-no experience in cyber security execute, given the wide availability of free cyber security penetration testing tools such as Metasploit?" This research focuses on applying common, low-cost, low-overhead, cyber-attacks on a robot featuring ROS. This work documents the effectiveness of those attacks. C1 [McClean, Jarrod] Harvard Univ, Chem Phys, Cambridge, MA 02138 USA. [Stull, Christopher; Farrar, Charles; Mascarenas, David] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP McClean, J (reprint author), Harvard Univ, Chem Phys, Cambridge, MA 02138 USA. OI Farrar, Charles/0000-0001-6533-6996 FU LLos Alamos National Laboratory, aboratory Directed Research and Development program; Department of Energy Computational Science Graduate Fellowship FX The authors would like to acknowledge the Los Alamos National Laboratory, Laboratory Directed Research and Development program for funding this work. Jarrod McClean was funded by the Department of Energy Computational Science Graduate Fellowship. NR 12 TC 1 Z9 1 U1 4 U2 19 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9532-7 J9 PROC SPIE PY 2013 VL 8741 AR UNSP 874110 DI 10.1117/12.2016189 PG 8 WC Engineering, Electrical & Electronic; Robotics; Optics SC Engineering; Robotics; Optics GA BGN01 UT WOS:000323543800034 ER PT S AU McCloy, JS Riley, BJ Pierce, DA Johnson, BR Qiao, A AF McCloy, John S. Riley, Brian J. Pierce, David A. Johnson, Bradley R. Qiao, Amy BE Tustison, RW Zelinski, BJ TI Infrared-Transmitting Glass-Ceramics: A Review SO WINDOW AND DOME TECHNOLOGIES AND MATERIALS XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Window and Dome Technologies and Materials XIII CY MAY 01-02, 2013 CL Baltimore, MD SP SPIE DE infrared glass; glass-ceramic; gallium; lanthanum; germanium; arsenic ID GALLIUM-LANTHANUM-SULFIDE; MU-M REGION; DIFFERENTIAL THERMAL-ANALYSIS; CRYSTAL PROUSTITE AG3ASS3; RARE-EARTH CHALCOGENIDES; GA-LA-S; PHASE-SEPARATION; SINGLE-CRYSTAL; TRANSMISSION SPECTRA; ZINC THIOGALLATE AB A large body of literature was reviewed with the aim of identifying binary and ternary systems for producing long-wave infrared transmitting glass-ceramics for window applications. Known optical and physical property data was summarized for many ternary sulfides as well as their constituent binary sulfides. Some phosphide and arsenide chalcopyrite structures were reviewed as well. Where available, data on the transmission range, energy gap, refractive index, and hardness were tabulated. Several glass-forming systems were identified containing Ga2S3, GeS2, or As2S3. C1 [McCloy, John S.; Riley, Brian J.; Pierce, David A.; Johnson, Bradley R.; Qiao, Amy] Pacific NW Natl Lab, Richland, WA 99352 USA. RP McCloy, JS (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM john.mccloy@pnnl.gov RI McCloy, John/D-3630-2013; OI McCloy, John/0000-0001-7476-7771; Riley, Brian/0000-0002-7745-6730 NR 170 TC 1 Z9 1 U1 3 U2 29 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9499-3 J9 PROC SPIE PY 2013 VL 8708 AR UNSP 87080N DI 10.1117/12.2019142 PG 20 WC Materials Science, Multidisciplinary; Materials Science, Characterization & Testing; Optics SC Materials Science; Optics GA BGM25 UT WOS:000323491200012 ER PT S AU Scrymgeour, DA Kemme, SA Boye, RR Ellis, AR Carter, TR Samora, S Hunker, JD AF Scrymgeour, D. A. Kemme, S. A. Boye, R. R. Ellis, A. R. Carter, T. R. Samora, S. Hunker, J. D. BE VonFreymann, G Schoenfeld, WV Rumpf, RC TI Micro-optical grayscale excitation lenses for atom and ion trapping SO ADVANCED FABRICATION TECHNOLOGIES FOR MICRO/NANO OPTICS AND PHOTONICS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advanced Fabrication Technologies for Micro/Nano Optics and Photonics VI CY FEB 05-06, 2013 CL San Francisco, CA SP SPIE, Nanoscribe GmbH, VUZIX Corp DE Grayscale optics; micro-optics; ion trapping; quantum computation ID LIGHT-SCATTERING; SOLAR-CELLS AB Designing and integrating micro-optical components into atom and ion traps are enabling steps toward miniaturizing trap dimensions in quantum computation applications. The micro-optic must have a high numerical aperture for precise illumination of the ion and should not introduce scatter. Due to the extreme optical efficiency requirements in trapped ion and atom-based quantum information processing, even slight losses from integrated micro-optics are detrimental. We have designed and fabricated aspheric micro-lenses through grayscale transfer into a fused silica in an effort to realize increased transmissive efficiency and decreased scatter compared to an equivalent diffractive optical element. The fabricated grayscale lens profile matched the desired lens profile well, and the measured and predicted optical performances were in good agreement. The pattern was transferred via coupled plasma reactive-ion etching smoothly into the fused silica with a RMS roughness similar to 35 nm. The micro-lens had a diameter of 88 um and 14.2 um sag, with an as-designed focal length of 149 um and spot diameter of 2.6 um. The maximum measured efficiency was similar to 80% (86% of theoretical, possibly due to rms roughness). This realized efficiency is superior to the equivalent diffractive lens efficiency, designed to the same use parameters. The grayscale approach demonstrated an increase in collection efficiency, at the desired optical focal length, providing the potential for further refinement. C1 [Scrymgeour, D. A.; Kemme, S. A.; Boye, R. R.; Ellis, A. R.; Carter, T. R.; Samora, S.; Hunker, J. D.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Scrymgeour, DA (reprint author), Sandia Natl Labs, 1515 Eubank Blvd SE, Albuquerque, NM 87123 USA. EM dscrymg@sandia.gov RI Scrymgeour, David/C-1981-2008 NR 15 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9382-8 J9 PROC SPIE PY 2013 VL 8613 AR 861313 DI 10.1117/12.2004992 PG 8 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BGG38 UT WOS:000322826900022 ER PT S AU Washburn, CM Jones, JC Vigil, SR Finnegan, PS Boye, RR Hunker, JD Scrymgeour, DA Dirk, SM Hance, BG Strong, JM Massey, LM Brumbach, MT AF Washburn, C. M. Jones, J. C. Vigil, S. R. Finnegan, P. S. Boye, R. R. Hunker, J. D. Scrymgeour, D. A. Dirk, S. M. Hance, B. G. Strong, J. M. Massey, L. M. Brumbach, M. T. BE VonFreymann, G Schoenfeld, WV Rumpf, RC TI Flexible conductive polymer polarizer designed for a chemical tag SO ADVANCED FABRICATION TECHNOLOGIES FOR MICRO/NANO OPTICS AND PHOTONICS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advanced Fabrication Technologies for Micro/Nano Optics and Photonics VI CY FEB 05-06, 2013 CL San Francisco, CA SP SPIE, Nanoscribe GmbH, VUZIX Corp DE Conductive polymer; chemical sensing; HF sensing; subwavelength; polarization ID PHOTOCATALYTIC ACTIVITY; TIO2 AB Conductive polymers with high solids loading (> 40wt.%) are challenging to pattern to single micron feature sizes and require unique techniques or templates to mold the material. The development of a conductive polymer optical tag is discussed for identifying the presence of hydrofluoric acid (HF) and leverages free standing silicon fins as a template utilizing deep reactive ion etching (DRIE) techniques will be discussed. This work is aimed towards a future flexible conductive polymer tag to be transferred via adhesive or epoxy for a novel sensor surface. The advantage to this technique over wafer thinning is a higher throughput of device manufacture without damage to the silicon fins or polymer due to chemical-mechanical interactions or added protective layers. The gratings consist of a high spatial frequency (1.15 mu m pitch) grating consisting of lines of conductive polymer and lines of silicon which are free standing. A novel running bond pattern aims to minimize the intrinsic stress and allows the conductive polymer to infiltrate without distorting the template. The polymer conductivity mechanism has been designed to break down under a chemical binding to fluorine; changing its conductivity upon exposure, and results in a change in the polarization response. The use of the polarization response makes the signal more robust to intensity fluctuations in the background or interrogation system. Additionally, the use of optical interrogation allows for standoff detection in instances where hazardous conditions may be present. Examples of material and device responses will be shown and directions for further investigation are discussed. C1 [Washburn, C. M.; Jones, J. C.; Vigil, S. R.; Finnegan, P. S.; Boye, R. R.; Hunker, J. D.; Scrymgeour, D. A.; Dirk, S. M.; Hance, B. G.; Strong, J. M.; Massey, L. M.; Brumbach, M. T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Washburn, CM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Scrymgeour, David/C-1981-2008 NR 10 TC 1 Z9 1 U1 0 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9382-8 J9 PROC SPIE PY 2013 VL 8613 AR 861312 DI 10.1117/12.2005247 PG 11 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BGG38 UT WOS:000322826900021 ER PT S AU Mangum, BD Park, YS Ghosh, Y Hollingsworth, JA Htoon, H AF Mangum, Benjamin D. Park, Young-Shin Ghosh, Yagnaseni Hollingsworth, Jennifer A. Htoon, Han BE Itzler, MA Campbell, JC TI Single nanocrystal spectroscopy approaches for investigation of emission efficiency and recombination dynamics of multi-excitons SO ADVANCED PHOTON COUNTING TECHNIQUES VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advanced Photon Counting Techniques VII CY MAY 01-02, 2013 CL Baltimore, MD SP SPIE DE Nanocrystals; Bi-exciton; Auger recombination; Quantum yield; Lifetime ID QUANTUM DOTS; ROOM-TEMPERATURE; FLUORESCENCE; MOLECULE; BLINKING; PHOTONS; PHOTOLUMINESCENCE; VOLUME AB Understanding and controlling the emission efficiency and recombination dynamics of bi-excitonic states (i.e. Q(BX) and tau(BX)) in semiconductor nanocrystal quantum dots (NQDs) holds the key to many novel technological applications including optical amplification, entangled photon-pair generation and carrier multiplication. Here we present novel single particle spectroscopy approaches capable of measuring these parameter directly. Our approaches are based on second order photon correlation spectroscopy (g((2)) (tau)) and can also be applied to small clusters of NQDs to determine the number of NQDs in a cluster together with average value of Q(BX) and tau(BX). Specifically, first we demonstrate that the ratio of the areas of center and side peaks of the g((2)) (tau) function of the spectrally integrated PL of a single NQD provide a precise measure of the ratio of the quantum yield of single and bi-exciton states. Next, we present a time gated photon correlation spectroscopy approach that allows separation of the effects of multi-exciton emission and NQD clustering in g(2) measurements. Finally, we present how the emission of bi-excitons can be separated in g((2)) (tau) measurements and extract decay dynamics of bi-excitons without any ambiguity. C1 [Mangum, Benjamin D.; Park, Young-Shin; Ghosh, Yagnaseni; Hollingsworth, Jennifer A.; Htoon, Han] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys Applicat Div, Los Alamos, NM 87545 USA. RP Mangum, BD (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys Applicat Div, Los Alamos, NM 87545 USA. EM ben.mangum@pacificlighttech.com; htoon@lanl.gov RI Dennis, Allison/A-7654-2014 NR 27 TC 0 Z9 0 U1 1 U2 9 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9518-1 J9 PROC SPIE PY 2013 VL 8727 AR UNSP 87270S DI 10.1117/12.2016074 PG 14 WC Optics; Physics, Applied SC Optics; Physics GA BGL65 UT WOS:000323425900014 ER PT S AU Kulshreshtha, PK Maruyama, K Kiani, S Dhuey, S Perera, P Blackwell, J Olynick, D Ashby, PD AF Kulshreshtha, Prashant K. Maruyama, Ken Kiani, Sara Dhuey, Scott Perera, Pradeep Blackwell, James Olynick, Deirdre Ashby, Paul D. BE Somervell, MH Wallow, TI TI Sub-20nm Lithography Negative Tone Chemically Amplified Resists using Cross-Linker Additives SO ADVANCES IN RESIST MATERIALS AND PROCESSING TECHNOLOGY XXX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Resist Materials and Processing Technology XXX CY FEB 25-27, 2013 CL San Jose, CA SP SPIE, Tokyo Ohka Kogyo Amer Inc DE Chemically amplified resist; molecular resist; High resolution; cross-linker; Z-factor; EUV exposure; developer kinetics; negative tone ID EXTREME-ULTRAVIOLET LITHOGRAPHY; MOLECULAR RESISTS; NORIA AB Here, we report the highest recorded resolution for a negative-tone, carbon-based, chemically amplified (CA) resist of 20 nm half-pitch (HP) using both E-beam and EUV exposure systems. The new chemistry incorporates variable amounts of oxetane (0, 5, 10 and 20%) cross-linker into a base of Noria-MAd (methyl-admantane) molecular resist. Cross-linkable resists showed simultaneous improvements in surface energy, structural integrity, and swelling to ensure collapse free 20nm HP patterns and line-edge roughness (LER) down to 2.3 nm. EUV exposed Noria-Ox (5%) cross-linked resist patterns demonstrated 5 times improvement in Z-factor (for 24 nm HP) over Noria-MAd alone. C1 [Kulshreshtha, Prashant K.; Dhuey, Scott; Perera, Pradeep; Olynick, Deirdre; Ashby, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Kulshreshtha, PK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pkkulshreshtha@lbl.gov RI Foundry, Molecular/G-9968-2014; perera, pradeep/I-3112-2016 NR 18 TC 2 Z9 2 U1 1 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9464-1 J9 PROC SPIE PY 2013 VL 8682 AR UNSP 86820N DI 10.1117/12.2011640 PG 10 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Optics SC Engineering; Materials Science; Optics GA BGJ79 UT WOS:000323247200020 ER PT S AU Qi, ZQJ Rodriguez-Manzo, JA Hong, SJ Park, YW Stach, EA Drndic, M Johnson, ATC AF Qi, Zhengqing John Rodriguez-Manzo, Julio A. Hong, Sung Ju Park, Yung Woo Stach, Eric A. Drndic, Marija Johnson, A. T. Charlie BE Tong, WM Resnick, DJ TI Direct electron beam patterning of sub-5nm monolayer graphene interconnects SO ALTERNATIVE LITHOGRAPHIC TECHNOLOGIES V SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Alternative Lithographic Technologies V CY FEB 25-28, 2013 CL San Jose, CA SP SPIE, AZ Elect Mat ID MICROSCOPE; STABILITY; FILMS; EDGES AB The industry's march towards higher transistor density has called for an ever-increasing number of interconnect levels in logic devices. The historic transition from aluminum to copper was necessary in reducing timing delays while future technology nodes presents an opportunity for new materials and patterning techniques. One material for consideration is graphene, a single atomic layer of carbon atoms. Graphene is known to have excellent electrical properties [1], driving strong interest in its integration into the wafer fabrication processes for future electronics [2], and its ballistic transport properties give promise for use in on-chip interconnects [3]. This study demonstrates the feasibility of a direct electron beam lithography technique to pattern sub-5nm metallic graphene ribbons, without using a mask or photoresist, to act as next generation interconnects. Sub-5nm monolayer and multilayer graphene ribbons were patterned using a focused electron beam in a transmission electron microscope (TEM) through direct knock-on ejection of carbon atoms. These ribbons were measured during fabrication to quantify their electrical performance. Multilayered graphene nanoribbons were found to sustain current densities in excess of 109 A/cm(2), orders of magnitude higher than copper, while monolayer graphene provides comparable performance to copper but at the level of a single atomic layer. High volume manufacturing could utilize wafer-size chemical vapor deposition (CVD) graphene [4] transferred directly onto the substrate paired with a direct write multi-beam tool to knock off carbon atoms for patterning of nanometer sized interconnects. The patterning technique introduced here allows for the fabrication of small foot-print high performance next generation graphene interconnects that bypass the use of a mask and resist process. C1 [Qi, Zhengqing John; Rodriguez-Manzo, Julio A.; Hong, Sung Ju; Drndic, Marija; Johnson, A. T. Charlie] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Hong, Sung Ju; Park, Yung Woo] Seoul Natl Univ, Dept Phys & Astron, Seoul, South Korea. [Stach, Eric A.] Ctr Funct Nanomat, Brookhaven Natl Lab, Upton, NY USA. RP Qi, ZQJ (reprint author), Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. RI Stach, Eric/D-8545-2011 OI Stach, Eric/0000-0002-3366-2153 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; FEI-Titan ACTEM [31972]; Brookhaven National Laboratory's Center for Functional Nanomaterials; SRC [2011-IN-2229]; NIH [R21HG00476]; Leading Foreign Research Institute Recruitment Program [0409-20100156]; NRF; FPRD through MEST, Korea FX Electron Microscopy was 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. We acknowledge support for access of the FEI-Titan ACTEM through proposal 31972 at Brookhaven National Laboratorys Center for Functional Nanomaterials. This work was supported by SRC contract #2011-IN-2229. M.D. and J.A.R.-M. acknowledge funding from the NIH grant R21HG00476. Y.W.P. and S.J.H. acknowledge support from the Leading Foreign Research Institute Recruitment Program (0409-20100156) of NRF and the FPRD of BK21 through the MEST, Korea. NR 30 TC 1 Z9 1 U1 2 U2 12 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9462-7 J9 PROC SPIE PY 2013 VL 8680 AR UNSP 86802F DI 10.1117/12.2013724 PG 6 WC Nanoscience & Nanotechnology; Optics; Imaging Science & Photographic Technology SC Science & Technology - Other Topics; Optics; Imaging Science & Photographic Technology GA BGI17 UT WOS:000323077100063 ER PT J AU Zhang, WY Ge, XX Tang, Y Du, D Liu, DL Lin, YH AF Zhang, Weiying Ge, Xiaoxiao Tang, Yong Du, Dan Liu, Deli Lin, Yuehe TI Nanoparticle-based immunochromatographic test strip with fluorescent detector for quantification of phosphorylated acetylcholinesterase: an exposure biomarker of organophosphorus agents SO ANALYST LA English DT Article AB A nanoparticle-based fluorescence immunochromatographic test strip (FITS) coupled with a hand-held detector for highly selective and sensitive detection of phosphorylated acetylcholinesterase (AChE), an exposure biomarker of organophosphate (OP) pesticides and nerve agents, is reported. In this approach, OP-AChE adducts were selectively captured by quantum dot-tagged anti-AChE antibodies (Qdot-anti-AChE) and zirconia nanoparticles (ZrO2 NPs). The sandwich-like immunoreactions were performed among the Qdot-anti-AChE, OP-AChE and ZrO2 NPs to form a Qdot-anti-AChE-OP-AChE-ZrO2 complex, which was detected by recording the fluorescence intensity of Qdots captured during the test line. Paraoxon was used as the model OP pesticide. Under optimal conditions, this portable FITS immunosensor demonstrates a highly linear absorption response over the range of 0.01 nM to 10 nM OP-AChE, with a detection limit of 4 pM, coupled with good reproducibility. Moreover, the FITS immunosensor has been validated with OP-AChE spiked human plasma samples. This is the first report on the development of ZrO2 NP-based FITS for the detection of the OP-AChE adduct. The FITS immunosensor provides a sensitive and low-cost sensing platform for on-site screening/evaluating OP pesticides and nerve agents poisoning. C1 [Zhang, Weiying; Liu, Deli] Cent China Normal Univ, Coll Life Sci, Hubei Key Lab Genet Regulat & Integrat Biol, Wuhan 430079, Peoples R China. [Ge, Xiaoxiao; Du, Dan] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China. [Zhang, Weiying; Tang, Yong; Du, Dan; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Liu, DL (reprint author), Cent China Normal Univ, Coll Life Sci, Hubei Key Lab Genet Regulat & Integrat Biol, Wuhan 430079, Peoples R China. EM deliliu2013@163.com; yuehe.lin@pnnl.gov RI Du, Dan (Annie)/G-3821-2012; Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU CounterACT Program, National Institutes of Health Office of the Director (NIH OD); National Institute of Neurological Disorders and Stroke (NINDS) [U01 NS058161]; US-DOE [DE-AC05-76RL01830]; National Natural Science Foundation of China [31071653, 21275062]; Program for New Century Excellent Talents in University [NCET-12-0871]; China Scholarship Council (CSC); PNNL FX This work was done at Pacific Northwest National Laboratory (PNNL) and supported by the CounterACT Program, National Institutes of Health Office of the Director (NIH OD), and the National Institute of Neurological Disorders and Stroke (NINDS), Grant number U01 NS058161. The contents of this publication are solely the responsibility of the authors and do not necessarily represent the official views of the NIH. The Pacific Northwest National Laboratory is operated by Battelle for US-DOE under Contract DE-AC05-76RL01830. This work was also supported partially by the National Natural Science Foundation of China (31071653, 21275062) and the Program for New Century Excellent Talents in University (NCET-12-0871). W. Z. would like to acknowledge the fellowship from the China Scholarship Council (CSC) and the fellowship from PNNL. NR 32 TC 18 Z9 18 U1 5 U2 55 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 J9 ANALYST JI Analyst PY 2013 VL 138 IS 18 BP 5431 EP 5436 DI 10.1039/c3an00621b PG 6 WC Chemistry, Analytical SC Chemistry GA 201BH UT WOS:000323115200034 PM 23885349 ER PT S AU Smith, KR Frumkin, H Balakrishnan, K Butler, CD Chafe, ZA Fairlie, I Kinney, P Kjellstrom, T Mauzerall, DL McKone, TE McMichael, AJ Schneider, M AF Smith, Kirk R. Frumkin, Howard Balakrishnan, Kalpana Butler, Colin D. Chafe, Zoee A. Fairlie, Ian Kinney, Patrick Kjellstrom, Tord Mauzerall, Denise L. McKone, Thomas E. McMichael, Anthony J. Schneider, Mycle BE Fielding, JE TI Energy and Human Health SO ANNUAL REVIEW OF PUBLIC HEALTH, VOL 34 SE Annual Review of Public Health LA English DT Review; Book Chapter DE coal; air pollution; biomass fuel; petroleum; nuclear energy ID WIND TURBINE NOISE; INDOOR AIR-POLLUTION; 3 GORGES DAM; CLIMATE-CHANGE MITIGATION; NUCLEAR-POWER-PLANTS; THREE-MILE-ISLAND; PUBLIC-HEALTH; NATURAL-GAS; LUNG-CANCER; OIL-SPILL AB Energy use is central to human society and provides many health benefits. But each source of energy entails some health risks. This article reviews the health impacts of each major source of energy, focusing on those with major implications for the burden of disease globally. The biggest health impacts accrue to the harvesting and burning of solid fuels, coal and biomass, mainly in the form of occupational health risks and household and general ambient air pollution. Lack of access to clean fuels and electricity in the world's poor households is a particularly serious risk for health. Although energy efficiency brings many benefits, it also entails some health risks, as do renewable energy systems, if not managed carefully. We do not review health impacts of climate change itself, which are due mostly to climate-altering pollutants from energy systems, but do discuss the potential for achieving near-term health cobenefits by reducing certain climate-related emissions. C1 [Smith, Kirk R.; Chafe, Zoee A.; McKone, Thomas E.] Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. [Chafe, Zoee A.] Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA. [Frumkin, Howard] Univ Washington, Sch Publ Hlth, Seattle, WA 98195 USA. [Balakrishnan, Kalpana] Sri Ramachandra Univ, Dept Environm Hlth Engn, Madras 600116, Tamil Nadu, India. [Butler, Colin D.] Univ Canberra, Fac Hlth, Discipline Publ Hlth, Canberra, ACT 2601, Australia. [Kinney, Patrick] Columbia Univ, Mailman Sch Publ Hlth, Dept Environm Hlth Sci, New York, NY 10032 USA. [Kjellstrom, Tord] Umea Univ, Ctr Global Hlth Res, SE-90187 Umea, Sweden. [Kjellstrom, Tord] Australian Natl Univ, Natl Ctr Epidemiol & Populat Hlth, Canberra, ACT 0200, Australia. [Mauzerall, Denise L.] Princeton Univ, Woodrow Wilson Sch Publ & Int Affairs, Princeton, NJ 08544 USA. [Mauzerall, Denise L.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. [McKone, Thomas E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [McMichael, Anthony J.] Australian Natl Univ, Natl Ctr Epidemiol & Populat Hlth, Canberra, ACT 0200, Australia. RP Smith, KR (reprint author), Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. EM krksmith@berkeley.edu; frumkin@uw.edu; kalpanasrmc@ehe.org.in; colin.butler@canberra.edu.au; zoe.chafe@berkeley.edu; ianfairlie@gmail.com; plk3@columbia.edu; kjellstromt@yahoo.com; mauzeral@princeton.edu; temckone@lbl.gov; tony.mcmichael@anu.edu.au; mycle@wanadoo.fr RI Mauzerall, Denise/I-5977-2013; Balakrishnan, Kalpana/B-6653-2015; OI Mauzerall, Denise/0000-0003-3479-1798; Frumkin, Howard/0000-0001-7079-3534; Balakrishnan, Kalpana/0000-0002-5905-1801; Butler, Colin/0000-0002-2942-5294 NR 239 TC 40 Z9 43 U1 22 U2 118 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0163-7525 BN 978-0-8243-2734-7 J9 ANNU REV PUBL HEALTH JI Annu. Rev. Public Health PY 2013 VL 34 BP 159 EP 188 DI 10.1146/annurev-publhealth-031912-114404 PG 30 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA BFY40 UT WOS:000321892700012 PM 23330697 ER PT S AU Chao, R Graeupner, P Gullikson, E Kim, SS Neumann, JT Miyakawa, R Seo, HS Neureuther, A Naulleau, P AF Chao, Rikon Graeupner, Paul Gullikson, Eric Kim, Seong-Sue Neumann, Jens-Timo Miyakawa, Ryan Seo, Hwan-Seok Neureuther, Andy Naulleau, Patrick BE Naulleau, PP TI Experimental verification of EUV mask limitations at high numerical apertures SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY IV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography IV CY FEB 25-28, 2013 CL San Jose, CA SP SPIE, Cymer Inc DE Angular bandwidth; Extreme ultraviolet lithography; Modeling; Multilayers; Reflectivity ID LAYER AB In this work, we use a high accuracy synchrotron-based reflectometer to experimentally determine the effects of angular bandwidth limitations on high NA EUV performance. We characterized mask blank and mask pattern diffraction performance as a function of illumination angle, scatter angle, and wavelength. A variety of pattern feature sizes ranging down to coded sizes of 11 nm (44 nm on the mask) are considered. A Rigorous Coupled-Wave Analysis (RCWA) model is calibrated against the experimental data to enable future model-based performance predictions. The model is optimized against the clearfield data and verified by predicting the mask pattern diffraction data. We thus have confirmed the degradation and asymmetry of diffraction orders at high AOI. C1 [Chao, Rikon; Gullikson, Eric; Miyakawa, Ryan; Naulleau, Patrick] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Chao, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. NR 8 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9461-0 J9 PROC SPIE PY 2013 VL 8679 AR UNSP 86791M DI 10.1117/12.2013209 PG 8 WC Engineering, Electrical & Electronic; Optics; Imaging Science & Photographic Technology SC Engineering; Optics; Imaging Science & Photographic Technology GA BGI15 UT WOS:000323069800046 ER PT S AU Goldberg, KA Mochi, I Benk, M Allezy, AP Dickinson, MR Cork, CW Zehm, D Macdougall, JB Anderson, E Salmassi, F Chao, WLL Vytla, VK Gullikson, EM DePonte, JC Jones, MSG Van Camp, D Gamsby, JF Ghiorso, WB Huang, HJ Cork, W Martin, E Van Every, E Acome, E Milanovic, V Delano, R Naulleau, PP Rekawa, SB AF Goldberg, Kenneth A. Mochi, Iacopo Benk, Markus Allezy, Arnaud P. Dickinson, Michael R. Cork, Carl W. Zehm, Daniel Macdougall, James B. Anderson, Erik Salmassi, Farhad Chao, Weilun L. Vytla, Vamsi K. Gullikson, Eric M. DePonte, Jason C. Jones, M. S. Gideon Van Camp, Douglas Gamsby, Jeffrey F. Ghiorso, William B. Huang, Hanjing Cork, William Martin, Elizabeth Van Every, Eric Acome, Eric Milanovic, Veljko Delano, Rene Naulleau, Patrick P. Rekawa, Senajith B. BE Naulleau, PP TI Commissioning an EUV mask microscope for lithography generations reaching 8 nm SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY IV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography IV CY FEB 25-28, 2013 CL San Jose, CA SP SPIE, Cymer Inc DE extreme ultraviolet lithography; EUV; microscope; actinic; mask; reticle; imaging; zoneplate AB The SEMATECH High-NA Actinic Reticle review Project (SHARP) is a synchrotron-based, EUV-wavelength microscope, dedicated to photomask imaging, now being commissioned at Lawrence Berkeley National Laboratory. In terms of throughput, resolution, coherence control, stability and ease of use, SHARP represents a significant advance over its predecessor, the SEMATECH Berkeley Actinic Inspection Tool (AIT), which was decommissioned in September 2012. SHARP utilizes several advanced technologies to achieve its design goals: including the first Fourier-synthesis illuminator on a zoneplate microscope, EUV MEMS mirrors, and high-efficiency freestanding zoneplate lenses with numerical aperture values up to 0.625 (4x). In its first week of operation, SHARP demonstrated approximately 150 times higher light throughput than AIT and a spatial resolution down to 55-nm half-pitch with 0.42 4xNA (i.e. the smallest feature size on our test mask.) This paper describes the current status of the tool commissioning and the performance metrics available at this early stage. C1 [Goldberg, Kenneth A.; Mochi, Iacopo; Benk, Markus; Allezy, Arnaud P.; Dickinson, Michael R.; Cork, Carl W.; Zehm, Daniel; Macdougall, James B.; Anderson, Erik; Salmassi, Farhad; Chao, Weilun L.; Vytla, Vamsi K.; Gullikson, Eric M.; DePonte, Jason C.; Jones, M. S. Gideon; Van Camp, Douglas; Gamsby, Jeffrey F.; Ghiorso, William B.; Huang, Hanjing; Cork, William; Martin, Elizabeth; Delano, Rene; Naulleau, Patrick P.; Rekawa, Senajith B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Goldberg, KA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. NR 6 TC 18 Z9 18 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9461-0 J9 PROC SPIE PY 2013 VL 8679 AR UNSP 867919 DI 10.1117/12.2011688 PG 10 WC Engineering, Electrical & Electronic; Optics; Imaging Science & Photographic Technology SC Engineering; Optics; Imaging Science & Photographic Technology GA BGI15 UT WOS:000323069800035 ER PT S AU Miyakawa, R Zhou, XB Goldstein, M Ashworth, D Cummings, K Fan, YJ Shroff, Y Denbeaux, G Kandel, Y Naulleau, P AF Miyakawa, Ryan Zhou, Xibin Goldstein, Michael Ashworth, Dominic Cummings, Kevin Fan, Yu-Jen Shroff, Yashesh Denbeaux, Gregory Kandel, Yudhi Naulleau, Patrick BE Naulleau, PP TI In-situ optical testing of exposure tools via localized wavefront curvature sensing SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY IV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography IV CY FEB 25-28, 2013 CL San Jose, CA SP SPIE, Cymer Inc DE optical testing; wave front; aberration; in-situ; focus sensor AB We present a new form of optical testing for exposure tools based on measuring localized wavefront curvature. In this method,offset monopole illumination is used to probe localized regions of the test optic pupil. Variations in curvature manifest as focus shifts,which are measured using a photodiode-based grating-on-grating contrast monitor,and the wavefront aberrations are reconstructed using a least-squares approach. This technique is attractive as it is independent of the numerical aperture of the system and does not require a CCD or a separate interferometer branch. C1 [Miyakawa, Ryan; Naulleau, Patrick] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Miyakawa, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM rhmiyakawa@lbl.gov NR 3 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9461-0 J9 PROC SPIE PY 2013 VL 8679 AR UNSP 86790Q DI 10.1117/12.2013880 PG 8 WC Engineering, Electrical & Electronic; Optics; Imaging Science & Photographic Technology SC Engineering; Optics; Imaging Science & Photographic Technology GA BGI15 UT WOS:000323069800019 ER PT S AU Rodriguez, G Sandberg, RL Jackson, SI Dattelbaum, DM Vincent, SW McCulloch, Q Martinez, RM Gilbertson, SM Udd, E AF Rodriguez, G. Sandberg, R. L. Jackson, S. I. Dattelbaum, D. M. Vincent, S. W. McCulloch, Q. Martinez, R. M. Gilbertson, S. M. Udd, E. BE Udd, E Pickrell, G Du, HH Benterou, JJ Fan, X Mendez, A Mihailov, SJ Wang, A Xiao, H TI Fiber Bragg grating sensing of detonation and shock experiments at Los Alamos National Laboratory SO FIBER OPTIC SENSORS AND APPLICATIONS X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications X CY MAY 02-03, 2013 CL Baltimore, MD SP SPIE DE fiber Bragg grating sensors; high explosive diagnostics; detonation; shock physics; pressure measurements ID PRESSURE; DYNAMICS; SENSORS AB An all optical-fiber-based approach to measuring high explosive detonation front position and velocity is described. By measuring total light return using an incoherent light source reflected from a fiber Bragg grating sensor in contact with the explosive, dynamic mapping of the detonation front position and velocity versus time is obtained. We demonstrate two calibration procedures and provide several examples of detonation front measurements: PBX 9502 cylindrical rate stick, radial detonation front in PBX 9501, and PBX 9501 detonation along a curved meridian line. In the cylindrical rate stick measurement, excellent agreement with complementary diagnostics (electrical pins and streak camera imaging) is achieved, demonstrating accuracy in the detonation front velocity to below the 0.3% level when compared to the results from the pin data. In a similar approach, we use embedded fiber grating sensors for dynamic pressure measurements to test the feasibility of these sensors for high pressure shock wave research in gas gun driven flyer plate impact experiments. By applying well-controlled steady shock wave pressure profiles to soft materials such as PMMA, we study the dynamic pressure response of embedded fiber Bragg gratings to extract pressure amplitude of the shock wave. Comparison of the fiber sensor results is then made with traditional methods (velocimetry and electro-magnetic particle velocity gauges) to gauge the accuracy of the approach. C1 [Rodriguez, G.; Sandberg, R. L.; Jackson, S. I.; Dattelbaum, D. M.; Vincent, S. W.; McCulloch, Q.; Martinez, R. M.; Gilbertson, S. M.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Udd, E.] Columbia Gorge Res, Fairview, OR 97024 USA. RP Rodriguez, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Rodriguez, George/G-7571-2012; OI Rodriguez, George/0000-0002-6044-9462; Jackson, Scott/0000-0002-6814-3468; Sandberg, Richard/0000-0001-9719-8188 NR 21 TC 8 Z9 8 U1 0 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9513-6 J9 PROC SPIE PY 2013 VL 8722 AR UNSP 872204 DI 10.1117/12.2015188 PG 13 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BGK65 UT WOS:000323340200003 ER PT S AU Udd, E Benterou, J AF Udd, Eric Benterou, Jerry BE Udd, E Pickrell, G Du, HH Benterou, JJ Fan, X Mendez, A Mihailov, SJ Wang, A Xiao, H TI DEVELOPMENT OF HIGH SPEED FIBER GRATING SENSOR SOLUTONS FOR MEASURING VELOCITY, POSITION, PRESSURE AND TEMPERATURE SO FIBER OPTIC SENSORS AND APPLICATIONS X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications X CY MAY 02-03, 2013 CL Baltimore, MD SP SPIE DE fiber sensor; fiber Bragg grating; velocity; position; pressure and temperature AB A novel very high speed fiber grating sensor system has been used to support velocity, position, temperature and pressure measurements during burn, deflagration and detonation of energetic materials in Russian DDT tests. For the first time the system has been demonstrated in card gap testing and has allowed real time measurements of the position of the blast front into the card gap and monitoring of pressure at key locations in the card gap test. This paper provides an overview of this technology and examples of its application. C1 [Udd, Eric] Columbia Gorge Res LLC, 2555 NE 205th Ave, Fairview, OR 97024 USA. [Benterou, Jerry] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Udd, E (reprint author), Columbia Gorge Res LLC, 2555 NE 205th Ave, Fairview, OR 97024 USA. NR 5 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9513-6 J9 PROC SPIE PY 2013 VL 8722 AR UNSP 872205 DI 10.1117/12.2018126 PG 11 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BGK65 UT WOS:000323340200004 ER PT J AU Shi, J Gladden, JM Sathitsuksanoh, N Kambam, P Sandoval, L Mitra, D Zhang, S George, A Singer, SW Simmons, BA Singh, S AF Shi, Jian Gladden, John M. Sathitsuksanoh, Noppadon Kambam, Pavan Sandoval, Lucas Mitra, Debjani Zhang, Sonny George, Anthe Singer, Steven W. Simmons, Blake A. Singh, Seema TI One-pot ionic liquid pretreatment and saccharification of switchgrass SO GREEN CHEMISTRY LA English DT Article ID TECHNOECONOMIC ANALYSIS; CORN STOVER; ENZYMATIC-HYDROLYSIS; DILUTE-ACID; CELLULOSE; BIOMASS; ETHANOL; LIGNIN; SUGARS; RECALCITRANCE AB Biomass pretreatment using certain ionic liquids (ILs), such as 1-ethyl-3-methylimidazolium acetate ([C(2)mim][OAc]), can be highly effective at reducing the recalcitrance of lignocellulosic biomass to enzymatic degradation. However, current commercial enzyme cocktails, derived from filamentous fungi and developed for dilute acid pretreatment, are inhibited by the most effective ILs used for pretreatment and require excessive amounts of water to remove the ILs from biomass after pretreatment in order to be effective. The associated IL recycling and waste disposal costs of this process pose significant economic and process engineering challenges for the commercial scale-up of IL pretreatment-based technologies. For the first time, we have demonstrated a one-pot, wash-free process that combines IL pretreatment and saccharification into a single vessel. After treating the switchgrass with [C(2)mim][OAc] and dilution with water to a final IL concentration of 10-20%, the pretreatment slurry was directly hydrolyzed using a thermostable IL tolerant enzyme cocktail previously developed at the Joint BioEnergy Institute (JBEI). This one-pot process liberated 81.2% glucose and 87.4% xylose (monomers and oligomers) at 72 h at 70 degrees C with an enzyme loading of 5.75 mg g(-1) of biomass at 10% [C(2)mim][OAc]. Glucose and xylose were selectively separated by liquid-liquid extraction with over 90% efficiency, thus eliminating extensive water washing as a unit operation. This study opens avenues for developing more efficient and cost effective processes for product recovery and IL recycling. C1 [Shi, Jian; Gladden, John M.; Sathitsuksanoh, Noppadon; Zhang, Sonny; George, Anthe; Singer, Steven W.; Simmons, Blake A.; Singh, Seema] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA USA. [Shi, Jian; Gladden, John M.; George, Anthe; Simmons, Blake A.; Singh, Seema] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA USA. [Kambam, Pavan; Sandoval, Lucas; Mitra, Debjani] Lawrence Berkeley Natl Lab, Emeryville, CA USA. [Singer, Steven W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. RP Shi, J (reprint author), Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA USA. EM seesing@sandia.gov RI sathitsuksanoh, noppadon/O-6305-2014; OI sathitsuksanoh, noppadon/0000-0003-1521-9155; Simmons, Blake/0000-0002-1332-1810 FU Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 47 TC 45 Z9 46 U1 3 U2 65 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 J9 GREEN CHEM JI Green Chem. PY 2013 VL 15 IS 9 BP 2579 EP 2589 DI 10.1039/c3gc40545a PG 11 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 201YM UT WOS:000323179000034 ER PT J AU Alam, S Bekas, C Boettiger, H Curioni, A Fourestey, G Homberg, W Knobloch, M Laino, T Maurer, T Mohr, B Pleiter, D Schiller, A Schulthess, T Weber, V AF Alam, S. Bekas, C. Boettiger, H. Curioni, A. Fourestey, G. Homberg, W. Knobloch, M. Laino, T. Maurer, T. Mohr, B. Pleiter, D. Schiller, A. Schulthess, T. Weber, V. TI Early experiences with scientific applications on the IBM Blue Gene/Q supercomputer SO IBM JOURNAL OF RESEARCH AND DEVELOPMENT LA English DT Article AB We report early experiences with porting highly complex scientific applications to the IBM Blue Gene (R)/Q platform. In addition, we report our progress in porting performance analysis tools that are deemed to be key in helping users understand massively parallel, massively threaded applications. Porting proved to be quite a smooth process. Although in this early study we did not use the full array of the novel architectural features, we nevertheless obtained quite satisfactory, though preliminary, performance results. Thus, we can safely anticipate impressive further improvements in overall performance once the full capability of the Blue Gene/Q architecture is exploited. C1 [Alam, S.; Schulthess, T.] Swiss Natl Supercomp Ctr CSCS, Manno, Switzerland. [Alam, S.] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Future Technol Grp, Oak Ridge, TN 37831 USA. [Alam, S.] Univ Edinburgh, Edinburgh EH8 9YL, Midlothian, Scotland. [Bekas, C.; Laino, T.; Weber, V.] IBM Corp, Div Res, CH-8803 Zurich, Switzerland. [Bekas, C.] Univ Patras, GR-26110 Patras, Greece. [Boettiger, H.; Maurer, T.] IBM Syst & Technol Grp, Syst Hardware Dev Exascale Innovat Ctr, D-71032 Boblingen, Germany. [Homberg, W.; Knobloch, M.; Mohr, B.; Pleiter, D.; Schiller, A.] Julich Supercomp Ctr, D-52425 Julich, Germany. [Laino, T.] Scuola Normale Super Pisa, Pisa, Italy. [Maurer, T.] Univ Regensburg, D-93053 Regensburg, Germany. [Mohr, B.] Univ Erlangen Nurnberg, Erlangen, Germany. [Pleiter, D.] Free Univ Berlin, Berlin, Germany. [Weber, V.] Univ Fribourg, CH-1700 Fribourg, Switzerland. RP Alam, S (reprint author), Swiss Natl Supercomp Ctr CSCS, Manno, Switzerland. EM alam@cscs.ch; bek@zurich.ibm.com; boettiger@de.ibm.com; cur@zurich.ibm.com; fourestey@cscs.ch; w.homberg@fz-juelich.de; m.knobloch@fz-juelich.de; teo@zurich.ibm.com; tmaurer2@de.ibm.com; b.mohr@fz-juelich.de; d.pleiter@fz-juelich.de; a.schiller@fz-juelich.de; schulthess@cscs.ch; vwe@zurich.ibm.com OI Homberg, Wilhelm/0000-0002-7456-4250; Mohr, Bernd/0000-0001-9960-5867 NR 6 TC 1 Z9 1 U1 0 U2 11 PU IBM CORP PI ARMONK PA 1 NEW ORCHARD ROAD, ARMONK, NY 10504 USA SN 0018-8646 J9 IBM J RES DEV JI IBM J. Res. Dev. PD JAN-MAR PY 2013 VL 57 IS 1-2 AR 14 DI 10.1147/JRD.2012.2234331 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 203VK UT WOS:000323321900015 ER PT J AU Carnes, B Chan, B Draeger, EW Fattebert, JL Fried, L Glosli, J Krauss, WD Krauss, SH McCallen, R Mirin, AA Najjar, F Nichols, AL Oppelstrup, T Rathkopf, JA Richards, D Streitz, F Vranas, PM Rice, JJ Gunnels, JA Gurev, V Kim, C Magerlein, J Reumann, M Wen, HF AF Carnes, B. Chan, B. Draeger, E. W. Fattebert, J. -L. Fried, L. Glosli, J. Krauss, W. D. Langer, S. H. McCallen, R. Mirin, A. A. Najjar, F. Nichols, A. L., III Oppelstrup, T. Rathkopf, J. A. Richards, D. Streitz, F. Vranas, P. M. Rice, J. J. Gunnels, J. A. Gurev, V. Kim, C. Magerlein, J. Reumann, M. Wen, H. -F. TI Science at LLNL with IBM Blue Gene/Q SO IBM JOURNAL OF RESEARCH AND DEVELOPMENT LA English DT Article ID SUDDEN CARDIAC DEATH; HUMAN HEART; M-CELLS; VENTRICLE AB Lawrence Livermore National Laboratory (LLNL) has a long history of working with IBM on Blue Gene (R) supercomputers. Beginning in November 2001 with the joint announcement of a partnership to expand the Blue Gene research project (including Blue Gene (R)/L and Blue Gene (R)/P), the collaboration extends to this day with LLNL planning for the installation of a 96-rack Blue Gene (R)/Q (called Sequoia) supercomputer. As with previous machines, we envision Blue Gene/Q will be used for a wide array of applications at LLNL, ranging from meeting programmatic requirements for certification to increasing our understanding of basic physical processes. We briefly describe a representative sample of mature codes that span this application space and scale well on Blue Gene hardware. Finally, we describe advances in multi-scale whole-organ modeling of the human heart as an example of breakthrough science that will be enabled with the Blue Gene/Q architecture. C1 [Carnes, B.; Chan, B.; Draeger, E. W.; Fried, L.; Glosli, J.; Krauss, W. D.; Langer, S. H.; McCallen, R.; Najjar, F.; Oppelstrup, T.; Rathkopf, J. A.; Richards, D.; Streitz, F.; Vranas, P. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Chan, B.; Draeger, E. W.; Fattebert, J. -L.; Mirin, A. A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp CASC, Livermore, CA 94550 USA. [Chan, B.] Bechtel Co, San Francisco, CA USA. [Draeger, E. W.; Richards, D.] Univ Illinois, Urbana, IL 61801 USA. [Fattebert, J. -L.] Swiss Fed Inst Technol, CH-1015 Lausanne, Switzerland. [Langer, S. H.] Stanford Univ, Stanford, CA 94305 USA. [McCallen, R.; Vranas, P. M.] Univ Calif Davis, Davis, CA 95616 USA. [McCallen, R.] Univ Calif Berkeley, Hass Business Sch, Leadership Program, Berkeley, CA 94720 USA. [Mirin, A. A.; Nichols, A. L., III] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Nichols, A. L., III] Lawrence Livermore Natl Lab, Phys Sci Directorate, Div Chem Sci, Extreme Chem Grp, Livermore, CA 94550 USA. [Rathkopf, J. A.; Magerlein, J.] Univ Michigan, Ann Arbor, MI 48109 USA. [Rice, J. J.; Gunnels, J. A.; Gurev, V.; Kim, C.; Magerlein, J.; Wen, H. -F.] IBM Corp, Div Res, Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA. [Rice, J. J.; Gunnels, J. A.] Johns Hopkins Univ, Dept Biomed Engn, Baltimore, MD 21218 USA. [Gunnels, J. A.] Univ Texas Austin, Austin, TX 78712 USA. [Gurev, V.] Johns Hopkins Univ, Computat Cardiol Lab Dr Natalia Trayanova, Baltimore, MD 21218 USA. [Kim, C.] Columbia Univ, New York, NY 10027 USA. [Reumann, M.] IBM Corp, Div Res, IBM Res Collaboratory Life Sci, Melbourne, Vic 3010, Australia. [Reumann, M.] Univ Karlsruhe, Karlsruhe, Germany. RP Carnes, B (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM carnes1@llnl.gov; chan1@llnl.gov; draeger1@llnl.gov; fattebert1@llnl.gov; langer1@llnl.gov; mccallen1@llnl.gov; mirin@llnl.gov; nichols5@llnl.gov; rathkopf1@llnl.gov; vranasp@llnl.gov; johnrice@us.ibm.com; gunnels@us.ibm.com; vgurev@us.ibm.com; kimchang@us.ibm.com; mager@us.ibm.com; reumann@au1.ibm.com; hfwen@us.ibm.com RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. This is LLNL report LLNL-JRNL-557011. NR 39 TC 2 Z9 2 U1 0 U2 8 PU IBM CORP PI ARMONK PA 1 NEW ORCHARD ROAD, ARMONK, NY 10504 USA SN 0018-8646 J9 IBM J RES DEV JI IBM J. Res. Dev. PD JAN-MAR PY 2013 VL 57 IS 1-2 AR 11 DI 10.1147/JRD.2012.2233371 PG 18 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 203VK UT WOS:000323321900012 ER PT J AU Coghlan, S Kumaran, K Loy, RM Messina, P Morozov, V Osborn, JC Parker, S Riley, KM Romero, NA Williams, TJ AF Coghlan, S. Kumaran, K. Loy, R. M. Messina, P. Morozov, V. Osborn, J. C. Parker, S. Riley, K. M. Romero, N. A. Williams, T. J. TI Argonne applications for the IBM Blue Gene/Q, Mira SO IBM JOURNAL OF RESEARCH AND DEVELOPMENT LA English DT Article ID DYNAMICS; CODE AB A varied collection of scientific and engineering codes has been adapted and enhanced to take advantage of the IBM Blue Gene (R)/Q architecture and thus enable research that was previously out of reach. Computational research teams from a number of disciplines collaborated with the staff of the Argonne Leadership Computing Facility to assess which of Blue Gene/Q's many novel features could be exploited for each application to equip it to tackle existing problem classes with greater fidelity and in some cases to address new phenomena. The quad floating-point units and the five-dimensional torus interconnect are among the features that were demonstrated to be effective for a number of important applications. Furthermore, data obtained from the hardware counters provided insights that were valuable in guiding the code modifications. Hardware features and programming techniques that were effective across multiple codes are documented as well. First, we have confirmed that there is no significant code rewrite needed to run today's production codes with good performance on Mira, an IBM Blue Gene/Q supercomputer. Performance improvements are already demonstrated, even though our measurements are all on pre-production software and hardware. The application domains included biology, materials science, combustion, chemistry, nuclear physics, and industrial-scale design of nuclear reactors, jet engines, and the efficiency of transportation systems. C1 [Coghlan, S.; Kumaran, K.; Loy, R. M.; Messina, P.; Morozov, V.; Osborn, J. C.; Parker, S.; Riley, K. M.; Romero, N. A.; Williams, T. J.] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. [Coghlan, S.] Math & Comp Sci Div, Argonne, IL USA. [Coghlan, S.] Los Alamos Natl Lab, Adv Comp Lab, Los Alamos, NM 87545 USA. [Kumaran, K.] Iowa State Univ, Ames, IA 50011 USA. [Messina, P.] CALTECH, Ctr Adv Comp Res, Pasadena, CA 91125 USA. [Messina, P.] CALTECH, Fac Associate Sci Comp, Pasadena, CA 91125 USA. [Morozov, V.] Ershovs Inst Informat Syst, Novosibirsk, Russia. [Osborn, J. C.] SUNY Stony Brook, Stony Brook, NY USA. [Parker, S.; Romero, N. A.] Univ Illinois, Urbana, IL 61801 USA. RP Coghlan, S (reprint author), Argonne Natl Lab, Argonne Leadership Comp Facil, 9700 S Cass Ave, Argonne, IL 60439 USA. EM smc@alcf.anl.gov; kumaran@alcf.anl.gov; rloy@alcf.anl.gov; messina@alcf.anl.gov; osborn@alcf.anl.gov; sparker@alcf.anl.gov; riley@alcf.anl.gov; naromero@alcf.anl.gov; zippy@anl.gov FU U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX In addition to ALCF staff, we gratefully acknowledge the help of the application teams whose codes were used. 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 DE-AC02-06CH11357. 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 19 TC 2 Z9 2 U1 0 U2 9 PU IBM CORP PI ARMONK PA 1 NEW ORCHARD ROAD, ARMONK, NY 10504 USA SN 0018-8646 J9 IBM J RES DEV JI IBM J. Res. Dev. PD JAN-MAR PY 2013 VL 57 IS 1-2 AR 12 DI 10.1147/JRD.2013.2238371 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 203VK UT WOS:000323321900013 ER PT J AU King, G Thompson, CM Greedan, JE Llobet, A AF King, Graham Thompson, Corey M. Greedan, J. E. Llobet, Anna TI Local structure of the vacancy disordered fluorite Yb3TaO7 from neutron total scattering SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID PHOTOCATALYTIC ACTIVITY; CRYSTAL-STRUCTURE; TERRES RARES; PYROCHLORE; O-2; H-2; LA; GD AB The local structure of the defect, vacancy disordered fluorite Yb3TaO7 has been investigated using neutron total scattering methods. The average structure of Yb3TaO7 is well described in space group Fm (3) over barm, with unit cell constant a = 5.1872(1) angstrom, in which Yb and Ta occupy, randomly, the single cation site in a fluorite structure and there is a vacancy concentration of approximately 1/8 on the anion site. Examination of the neutron diffraction data shows many features in the background which can be ascribed to local order of Yb, Ta, and O atoms. The pair distribution function, G(r), was analyzed using both crystallographic models and Reverse Monte Carlo (RMC) methods. From both perspectives the local structure resembles very strongly the cation and vacancy ordered model expected by extrapolation from the structure of Ho3TaO7, space group C222(1). As well, this local structure model provides a superior fit to the G(r) out to similar to 30 angstrom compared to the average structure model. This result may have implications for the understanding of phenomena such as catalytic activity which are reported to depend on order/disorder structural transformations in the series, RE3TaO7 and RE3NbO7 where RE is a rare earth element. C1 [King, Graham; Llobet, Anna] Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Thompson, Corey M.; Greedan, J. E.] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada. [Thompson, Corey M.; Greedan, J. E.] McMaster Univ, Brockhouse Inst Mat Res, Hamilton, ON L8S 4M1, Canada. RP King, G (reprint author), Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, MS H805, Los Alamos, NM 87545 USA. EM gking@lanl.gov RI King, Graham/E-3632-2010; Llobet, Anna/B-1672-2010 OI King, Graham/0000-0003-1886-7254; FU Natural Sciences and Engineering Research Council (NSERC) of Canada; DOE Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396]; NSF [DMR 00-76488] FX J.E.G. acknowledges the support of the Natural Sciences and Engineering Research Council (NSERC) of Canada in the form of a Discovery Grant. This work has benefited from the use of NPDF at the Lujan Center at Los Alamos Neutron Science Center, funded by DOE Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. The upgrade of NPDF has been funded by NSF through grant DMR 00-76488. We thank Katharine Page for assistance in collecting the data on NPDF. NR 14 TC 5 Z9 5 U1 2 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2013 VL 1 IS 35 BP 10487 EP 10494 DI 10.1039/c3ta12100c PG 8 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 201IA UT WOS:000323132700054 ER PT J AU Zhai, T Lu, XH Cui, GF Wu, G Qu, JX Tong, YX AF Zhai, Teng Lu, Xihong Cui, Guofeng Wu, Gang Qu, Junxiong Tong, Yexiang TI Efficient electroless nickel plating from highly active Ni-B nanoparticles for electric circuit patterns on Al2O3 ceramics SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID SELECTIVE HYDROGENATION; OXIDATION MECHANISM; CATALYST; DEPOSITION; REDUCTANT; INTERFACE; COATINGS; BORANE; ARRAYS AB Herein, we report novel and highly-active Ni-B nanoparticles as a precursor for electroless nickel deposition and demonstrate their implementation as high-performance electric circuits on the CCPCB surface. C1 [Zhai, Teng; Lu, Xihong; Cui, Guofeng; Qu, Junxiong; Tong, Yexiang] Sun Yat Sen Univ, Key Lab Low Carbon Chem & Energy Conservat Guangd, Huizhou Res Inst, Sch Chem & Chem Engn, Guangzhou 510275, Guangdong, Peoples R China. [Wu, Gang] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Cui, GF (reprint author), Sun Yat Sen Univ, Key Lab Low Carbon Chem & Energy Conservat Guangd, Huizhou Res Inst, Sch Chem & Chem Engn, Guangzhou 510275, Guangdong, Peoples R China. EM cuigf@mail.sysu.edu.cn RI Wu, Gang/E-8536-2010; zhai, teng/N-9965-2014; Lu, Xihong/L-5171-2015; zhai, teng/L-5942-2015 OI Wu, Gang/0000-0003-4956-5208; Lu, Xihong/0000-0002-6764-0024; zhai, teng/0000-0003-2696-2737 FU National Natural Science Foundation of China [51271205]; Fundamental Research Funds for the Central Universities [11lgpy08]; Guangzhou Pearl Technology the Nova Special Project [2012J2200058]; Research and Application of Key Technologies Oriented the Industrial Development [90035-3283309]; "Plan of Science and Technology Project" by the DaYa Gulf district in Huizhou city [31000-4207387]; Innovative Laboratory Fund by Sun Yat-Sen University FX Dr G. F. Cui gratefully acknowledges the financial support by the National Natural Science Foundation of China (51271205), "the Fundamental Research Funds for the Central Universities" (11lgpy08), "Guangzhou Pearl Technology the Nova Special Project" (2012J2200058), "Research and Application of Key Technologies Oriented the Industrial Development" (90035-3283309), "Plan of Science and Technology Project" by the DaYa Gulf district in Huizhou city (31000-4207387), and the Innovative Laboratory Fund by Sun Yat-Sen University. NR 34 TC 3 Z9 3 U1 2 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2013 VL 1 IS 33 BP 5149 EP 5152 DI 10.1039/c3tc31048e PG 4 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 193UU UT WOS:000322587800020 ER PT J AU Li, XD Meng, GW Li, AP Chu, ZQ Zhua, XG Konga, MG AF Li, Xiangdong Meng, Guowen Li, An-Ping Chu, Zhaoqin Zhua, Xiaoguang Konga, Mingguang TI A facile low-temperature growth of large-scale uniform two-end-open Ge nanotubes with hierarchical branches SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID METAL ENCAPSULATED NANOTUBES; GERMANIUM NANOWIRE GROWTH; CARBON NANOTUBES; SILICON NANOTUBE; FILM; SI AB We present a facile approach for the controlled fabrication of well-aligned arrays of Ge nanotubes (GeNTs) with tunable sizes and hierarchical branches inside the pre-designed nanochannels of porous anodic aluminum oxide (AAO) templates. Metal salts, such as nickel nitrate, silver nitrate, cobalt nitrate and copper sulphate are pre-decorated on the inner wall of the AAO nanochannels as catalyst precursors, where they are reduced into nickel, silver, cobalt, and copper clusters, and provide nucleation sites for subsequent Ge growth. GeNTs are formed by confining the Ge growth on the inner walls of the porous AAO template in a low temperature (300-380 degrees C) chemical vapor deposition process. The as-grown GeNTs have open ends with tailored wall thickness (between 10 and 26 nm), diameter (between 80 and 248 nm), and geometrical configuration (e. g., linear, Y-branching, multi-branching, and various multiple-generation branching). The GeNT formation process is sensitive to the choice of the catalyst precursor. Nickel salts lead to a uniform wall thickness of GeNTs compared with copper, silver, and cobalt salts. And GeNTs grown with copper salts as catalysts are polycrystalline, while nickel, silver and cobalt salts assisted GeNTs are amorphous though they can crystallize via post-annealing at 400 degrees C in Ar/H-2 atmosphere. These open-end hollow nanotubes with tunable sizes and hierarchical branches can serve as nanoscale containers or pipes to deliver fluids and molecular species, and are excellent building blocks for the construction of large-scale nanofluidic systems. C1 [Li, Xiangdong; Meng, Guowen; Chu, Zhaoqin; Zhua, Xiaoguang; Konga, Mingguang] Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China. [Li, Xiangdong; Meng, Guowen; Chu, Zhaoqin; Zhua, Xiaoguang; Konga, Mingguang] Chinese Acad Sci, Inst Solid State Phys, Anhui Key Lab Nanomat & Nanostruct, Hefei 230031, Peoples R China. [Meng, Guowen] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Li, An-Ping] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Li, XD (reprint author), Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China. EM gwmeng@issp.ac.cn; apli@ornl.gov RI li, Xiangdong/K-2008-2013; Li, An-Ping/B-3191-2012 OI li, Xiangdong/0000-0003-2519-8757; Li, An-Ping/0000-0003-4400-7493 FU National Key Basic Research Program of China [2013CB934304]; National Natural Science Foundation of China [51202254, 11274312]; China Postdoctoral Science Foundation [2011M501069]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX This work was financially supported by the National Key Basic Research Program of China (2013CB934304), National Natural Science Foundation of China (Grant no. 51202254, 11274312), and China Postdoctoral Science Foundation (no. 2011M501069). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 27 TC 1 Z9 1 U1 5 U2 43 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2013 VL 1 IS 35 BP 5471 EP 5476 DI 10.1039/c3tc30921e PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 203DR UT WOS:000323271100005 ER PT J AU Schleunitz, A Vogler, M Fernandez-Cuesta, I Schift, H Gruetzner, G AF Schleunitz, Arne Vogler, Marko Fernandez-Cuesta, Irene Schift, Helmut Gruetzner, Gabi TI Innovative and Tailor-made Resist and Working Stamp Materials for Advancing NIL-based Production Technology SO JOURNAL OF PHOTOPOLYMER SCIENCE AND TECHNOLOGY LA English DT Article DE nanoimprint lithography; hybrid polymer; functional material; anti-adhesive property; release force; polymeric working stamp; nanofluidics ID NANOIMPRINT LITHOGRAPHY AB As a new manufacturing technique based on replication of surface topographies, nanoimprint lithography makes specific demands on materials used as resists for pattern transfer, as molds during replication or as functional materials for permanent application. Thus, highly specialized polymer solutions play a key role for the innovations in nanoimprint-related production technology where a high-throughput and low-cost nanolithography step is performed. In this contribution, recent material innovations at micro resist technology GmbH are reviewed with focus on OrmoStamp (R) as versatile working stamp material with superior mold properties and its unique applicability to various nanoimprint processes. It is shown by the example of multidimensional nanofluidic devices how tailor-made materials facilitate mass production of innovative applications using nanoimprint lithography. C1 [Schleunitz, Arne; Vogler, Marko; Gruetzner, Gabi] Micro Resist Technol GmbH, D-12555 Berlin, Germany. [Fernandez-Cuesta, Irene] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Schift, Helmut] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. RP Schleunitz, A (reprint author), Micro Resist Technol GmbH, Koepenicker Str 325, D-12555 Berlin, Germany. EM a.schleunitz@microresist.de RI Fernandez-Cuesta, Irene/I-4108-2012 FU EU-project NaPANIL [NMP 214249] FX We thank F. Reuter and A. Klukowska-Kahlenberg for their valuable contributions and scientific commitments. We also thank H. Atasoy, M. Messerschmidt, M. Thesen, J. Klein and F. Bullerjahn (micro resist technology GmbH) as well as C. Spreu and K. Vogelsang (PSI) for their excellent technical assistance. The authors also gratefully acknowledge the partial financial support within the EU-project NaPANIL (NMP 214249). NR 20 TC 6 Z9 6 U1 4 U2 7 PU TECHNICAL ASSOC PHOTOPOLYMERS,JAPAN PI CHIBA PA CHIBA UNIV, FACULTY ENGINEERING, YAYOICHO, CHIBA, 263-8522, JAPAN SN 0914-9244 J9 J PHOTOPOLYM SCI TEC JI J. Photopolym Sci. Technol. PY 2013 VL 26 IS 1 BP 119 EP 124 PG 6 WC Polymer Science SC Polymer Science GA 192RP UT WOS:000322503300023 ER PT S AU Myers, TL Cannon, BD Taubman, MS Bernacki, BE AF Myers, Tanya L. Cannon, Bret D. Taubman, Matthew S. Bernacki, Bruce E. BE Dubinskii, M Post, SG TI Performance and Reliability of Quantum Cascade Lasers SO LASER TECHNOLOGY FOR DEFENSE AND SECURITY IX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Technology for Defense and Security IX CY APR 30-MAY 01, 2013 CL Baltimore, MD SP SPIE DE quantum cascade lasers; reliability; burn-in; power stability ID CONTINUOUS-WAVE; ROOM-TEMPERATURE; OPERATION AB We present the burn-in behavior and power stability of multiple quantum cascade lasers (QCLs) that were measured to investigate their long-term performance. For these experiments, the current to the QCL was cycled every ten minutes, and the output power was monitored over time for durations as long as two months. A small increase in power for a given injection current is observed for almost all of the QCLs tested during the burn-in period. Although the amount and duration of the burn-in varied among the devices tested, we observed that QCLs that operated with a lower threshold current exhibited a smaller burn-in change from initial conditions for the first ten hours of operation. This correlation, however, disappeared at longer operation times. The effect of packaging the QCLs is also investigated to determine its impact on performance and reliability. The power stability is measured for the packaged QCLs along with changes in the operational conditions. Although the temperature of the QCL is kept constant with a thermistor and thermoelectric cooler (TEC) inside the package, the case temperature is varied to monitor its correlation with any changes in power or frequency. Power changes and small frequency shifts are observed under these conditions. One possible explanation for these changes is the influence of optical feedback from the anti-reflection (AR) coated window in the package. The data from all of these experiments is presented. C1 [Myers, Tanya L.; Cannon, Bret D.; Taubman, Matthew S.; Bernacki, Bruce E.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Myers, TL (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM Tanya.Myers@pnnl.gov NR 11 TC 2 Z9 2 U1 0 U2 9 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9524-2 J9 PROC SPIE PY 2013 VL 8733 AR UNSP 87330E DI 10.1117/12.2015479 PG 15 WC Optics; Physics, Applied SC Optics; Physics GA BGK51 UT WOS:000323328800011 ER PT S AU Voisin, S Pinto, F Xu, SH Morin-Ducote, G Hudson, K Tourassi, GD AF Voisin, Sophie Pinto, Frank Xu, Songhua Morin-Ducote, Garnetta Hudson, Kathy Tourassi, Georgia D. BE Abbey, CK MelloThoms, CR TI Investigating the Association of Eye Gaze Pattern and Diagnostic Error in Mammography SO MEDICAL IMAGING 2013: IMAGE PERCEPTION, OBSERVER PERFORMANCE, AND TECHNOLOGY ASSESSMENT SE Proceedings of SPIE LA English DT Proceedings Paper CT Image Perception, Observer Performance, and Technology Assessment Conference, part of the SPIE Medical Imaging Symposium CY FEB 10-11, 2013 CL Lake Buena Vista, FL SP SPIE, Aeroflex Inc, Univ Cent Florida, CREOL Coll Opt & Photon, DQE Instruments Inc, Medtronic Inc, PIXELTEQ DE mammography; diagnosis; user modeling; eye tracking ID VISUAL-SEARCH; LUNG-CANCER; CHEST RADIOGRAPH; RADIOLOGISTS; ACCURACY; PERFORMANCE; MALPRACTICE; PERCEPTION; EXPERIENCE; IMAGE AB The objective of this study was to investigate the association between gaze patterns and the diagnostic performance of radiologists for the task of assessing the likelihood of malignancy of mammographic masses. Six radiologists (2 expert breast imagers and 4 Radiology residents of variable training) assessed the likelihood of malignancy of 40 biopsy-proven mammographic masses (20 malignant and 20 benign) on a computer monitor. Gaze data were collected using a commercial remote eye tracker. Upon reviewing each mass, the radiologists were asked to provide their assessment regarding the probability of malignancy of the depicted mass as well as a rating regarding the perceived difficulty of the diagnostic task. The collected gaze data were analyzed using established algorithms. Various quantitative metrics were extracted to characterize the recorded gaze patterns. The extracted metrics were correlated with the radiologists' diagnostic decisions and perceived complexity scores. Results showed that the association between radiologists' gaze metrics and their error making patterns varies, not only depending on the radiologists' experience level but also among individuals. However, some gaze metrics appear to correlate with diagnostic error and perceived complexity more consistently. These results suggest that although gaze patterns are generally associated with diagnostic error and the perceived difficulty of the diagnostic task, there are substantial differences among individuals that are not explained simply by the training level of the individual performing the diagnostic task. C1 [Voisin, Sophie; Xu, Songhua; Tourassi, Georgia D.] Oak Ridge Natl Lab, Ctr Biomol Sci & Engn, Oak Ridge, TN 37831 USA. RP Voisin, S (reprint author), Oak Ridge Natl Lab, Ctr Biomol Sci & Engn, Oak Ridge, TN 37831 USA. EM voisins@ornl.gov OI Voisin, Sophie/0000-0002-9726-4605; Tourassi, Georgia/0000-0002-9418-9638 NR 34 TC 0 Z9 0 U1 2 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-9447-4 J9 PROC SPIE PY 2013 VL 8673 AR 867302 DI 10.1117/12.2007908 PG 8 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BGH44 UT WOS:000322986700002 ER EF