FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Hahn, A Adamowski, M Montanan, D Norris, B Reichenbacher, J Rucinski, R Stewart, J Tope, T AF Hahn, Alan Adamowski, Mark Montanan, David Norris, Barry Reichenbacher, Juergen Rucinski, Russell Stewart, James Tope, Terry GP IEEE TI The LBNE 35 Ton Prototype Cryostat SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB The 35 Ton Prototype Cryostat was built to demonstrate that a commercial membrane-cryostat technology could achieve the performance necessary for the operation of a large multi-kiloton liquid argon detector for the Long-Baseline Neutrino Experiment (LBNE). A concluded Phase 1 run has confirmed both the thermal stability and leak tightness of this technology that is necessary to achieve extremely pure liquid argon. Measured electron drift times in excess of 2.5 ms infer impurity concentrations in the liquid argon of less than 140 ppt (O-2 equivalent). These purity levels were attained and held for sustained periods. Details of the cryostat operation, measurements, and analysis of the Phase 1 run are given. A future Phase 2 run, that will include a reduced-scale LBNE-style Time Projection Chamber with integral photon detectors is briefly described. C1 [Hahn, Alan; Adamowski, Mark; Montanan, David; Norris, Barry] Fermilab Natl Accelerator Lab, Neutrino Div, POB 500, Batavia, IL 60510 USA. [Reichenbacher, Juergen] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Rucinski, Russell; Tope, Terry] Fermilab Natl Accelerator Lab, Particle Phys Div, Batavia, IL 60510 USA. [Stewart, James] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Hahn, A (reprint author), Fermilab Natl Accelerator Lab, Neutrino Div, POB 500, Batavia, IL 60510 USA. EM ahahn@fnal.gov; madamski@fnal.gov; dmontana@fnal.gov; norris@fnal.gov; juergen.reichenbacher@sdsmt.gov; rucinski@fnal.gov; stewart@bnl.gov; tope@fnal.gov FU [De-AC02-07CH11359] FX Operated by Fermi Research Alliance, LLC under Contract No, De-AC02-07CH11359 with the United States Department of Energy. NR 5 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 7 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500414 ER PT J AU Hoff, J Deptuch, GW Fahim, F Grybos, P Maj, P Siddons, DP Szczygiel, R Trimpl, M Zimmerman, T AF Hoff, J. Deptuch, G. W. Fahim, F. Grybos, P. Maj, P. Siddons, D. P. Szczygiel, R. Trimpl, M. Zimmerman, T. GP IEEE TI An on-chip charge cluster reconstruction technique in the miniVIPIC pixel readout chip for X-ray counting and timing SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE ID DETECTOR AB An on-chip algorithm for the allocation of a hit to a single pixel in the presence of charge sharing in a highly segmented pixel detector is presented. It has been developed to advance pixel detector technology for experiments with X-ray beams at a synchrotron facility. Its key elements are: activation of groups of pixels (neighborhood_active), comparisons of peak amplitudes within the active neighborhood, virtual pixels that recover composite signals, ability to create event driven strobes to control comparisons of fractional signals between neighboring pixels and finally latching of the results of these comparisons. The miniVIPIC prototype was designed in a 130 nm process, as a proof of feasibility. The chip contains an array of 32x32 100x100 mu m(2) pixels. Analog and digital signals are exchanged between pixels, forming an extensive inter-pixel connection grid, whose routing to minimize parasistics, represented the major challenge. The design details of the chip are provided. C1 [Hoff, J.; Deptuch, G. W.; Fahim, F.; Trimpl, M.; Zimmerman, T.] Fermilab Natl Accelerator Lab, Particle Phys Div, ASIC Dev Grp, Dept Elect Engn, BP 500,MS 222, Batavia, IL 60510 USA. [Siddons, D. P.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Grybos, P.; Maj, P.; Szczygiel, R.] AGH Univ Sci & Technol, Fac Elect Engn Automat Comp Sci & Biomed Engn, Dept Measurement & Elect, PL-30059 Krakow, Poland. RP Hoff, J (reprint author), Fermilab Natl Accelerator Lab, Particle Phys Div, ASIC Dev Grp, Dept Elect Engn, BP 500,MS 222, Batavia, IL 60510 USA. EM jimhoff@fnal.gov; deptuch@ieee.org; farah@fnal.gov; pawel.grybos@agh.edu.pl; piotr.maj@agh.edu.pl; siddons@bnl.gov; robert.szczygiel@agh.edu.pl; trimpl@fnal.gov; tzimmer@fnal.gov FU U.S. Department of Energy [DE-AC02-07CH11359]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; National Science Center [DEC-2011/01/B/ST7/05155] FX Fermilab is operated by Fermi Research Alliance, LLC under contract No. DE-AC02-07CH11359 with the U.S. Department of Energy. BNL is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. AGH-UST is supported by National Science Center, under Contract DEC-2011/01/B/ST7/05155. NR 12 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 11 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500297 ER PT J AU Jimenez, ES Orr, LJ Thompson, KR AF Jimenez, Edward S. Orr, Laurel J. Thompson, Kyle R. GP IEEE TI Object Composition Identification via Mediated-Reality Supplemented Radiographs SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB This exploratory work investigates the feasibility of extracting linear attenuation functions with respect to energy from a multi-channel radiograph of an object of interest composed of a homogeneous material by simulating the entire imaging system combined with a digital phantom of the object of interest and leveraging this information along with the acquired multi-channel image. This synergistic combination of information allows for improved estimates on not only the attenuation for an effective energy, but for the entire spectrum of energy that is coincident with the detector elements. Material composition identification from radiographs would have wide applications in both medicine and industry. This work will focus on industrial radiography applications and will analyse a range of materials that vary in attenuative properties. This work shows that using iterative solvers holds encouraging potential to fully solve for the linear attenuation profile for the object and material of interest when the imaging system is characterized with respect to initial source x-ray energy spectrum, scan geometry, and accurate digital phantom. C1 [Jimenez, Edward S.; Orr, Laurel J.] Sandia Natl Labs, Software Syst R&D, Albuquerque, NM 87185 USA. [Thompson, Kyle R.] Sandia Natl Labs, Struct Dynam & Xray Nondestruct Evaluat, Albuquerque, NM 87185 USA. RP Jimenez, ES (reprint author), Sandia Natl Labs, Software Syst R&D, Albuquerque, NM 87185 USA. EM esjimen@sandia.gov; ljorr@sandia.gov; krthomp@sandia.gov FU U.S. Department of Energys 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 Energys National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 6 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500311 ER PT J AU Kench, PL Angelis, G Kyme, A Ryder, W Gillam, J Weisenberger, AG McKisson, JE McKisson, J Lee, S Meikle, SR AF Kench, Peter L. Angelis, Georgios Kyme, Andre Ryder, William Gillam, John Weisenberger, Andrew G. McKisson, J. E. McKisson, John Lee, Seungjoon Meikle, Steven R. GP IEEE TI Feasibility of Motion-Corrected Planar Projection Imaging of Single Photon Emitters: a Phantom Study SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB The kinetics of single photon emitting macromolecules (e.g. antibodies) are typically slower than small molecules, necessitating long or repeat acquisitions. We previously proposed the use of motion tracking and limited angle tomographic reconstruction to characterise tracer kinetics over extended periods in awake rodents. In this study, we explored this approach by imaging a contrast phantom, moved with 6 degrees of freedom, using a prototype preclinical SPECT scanner with parallel-hole collimation and a fixed detector located at 0 and 90 degrees. The position of the phantom was tracked and data were acquired in list mode. Each event was motion corrected and reconstructed using LM-MLEM. Planar projections were created by summing the reconstructed volume along the x-axis. Line profiles of the contrast phantom were compared for a planar reference projection and projections generated from the motion-free, motion-corrupted and motion corrected reconstructions. Projections created from the motion corrected agreed well with the planar reference projection of the stationary object and exhibited similar contrast. Whilst this initial study was limited to rigid motion, it demonstrates the feasibility of motion-corrected planar projections of a moving object. C1 [Kench, Peter L.; Angelis, Georgios; Kyme, Andre; Ryder, William; Gillam, John; Meikle, Steven R.] Univ Sydney, Brain & Mind Res Inst, Sydney, NSW 2006, Australia. [Kench, Peter L.; Angelis, Georgios; Kyme, Andre; Ryder, William; Gillam, John; Meikle, Steven R.] Univ Sydney, Fac Hlth Sci, Sydney, NSW 2006, Australia. [Weisenberger, Andrew G.; McKisson, J. E.; McKisson, John; Lee, Seungjoon] Thomas Jefferson Natl Accelerator Facil, Jefferson Lab, Newport News, VA USA. RP Kench, PL (reprint author), Univ Sydney, Brain & Mind Res Inst, Sydney, NSW 2006, Australia. EM peter.kench@sydney.edu.au; drew@jlab.org FU Australian Research Council Discovery Grant [DP110102912] FX This work was supported in part by an Australian Research Council Discovery Grant DP110102912 NR 2 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 3 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500250 ER PT J AU Kim, H Chen, CT Eclov, N Ronzhin, A Ramberg, E Los, S Murat, P Kao, CM AF Kim, Heejong Chen, Chin-Tu Eclov, Neville Ronzhin, Anatoly Ramberg, Erik Los, Sergey Murat, Pavel Kao, Chien-Min GP IEEE TI Tests on Scalability of a strip-line based TOF PET signal readout method SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB We have investigated the strip-line based SiPM signal readout method for TOF PET application; output of multiple SiPMs are connected on a single transmission-line, and signal waveforms from SiPMs are acquired at both ends of the strip-line by using high speed waveform sampler. This approach enables to decode the position of interaction along the transmission-line by using arrival time difference, and thus could reduce the number of readout electronics channels efficiently while keeping the fast time response of SiPMs. The scalability is one of the features of the strip-line readout method; the length of strip-line and the number of SiPMs connected on the strip can be easily extendable without increasing electronics channels. Previously we have built a prototype board with four strip-lines each with eight SiPMs (5.2mm pitch) installed on it, and demonstrated that the strip-line readout method is applicable for TOF PET. To check the scalability of the readout method, we modified the prototype board to connect two separate strip-lines into one single strip-line. From the laser test bench, the electronic time resolution along the strip is measured to be similar to 36ps fwhm (equivalent to 1.7mm fwhm in position) and found that the time resolution is not degraded by doubling SiPMs on a strip. C1 [Kim, Heejong; Chen, Chin-Tu; Eclov, Neville; Kao, Chien-Min] Univ Chicago, Dept Radiol, Chicago, IL 60637 USA. [Ronzhin, Anatoly; Ramberg, Erik; Los, Sergey; Murat, Pavel] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Kim, H (reprint author), Univ Chicago, Dept Radiol, Chicago, IL 60637 USA. FU NTH grants [R01EB016104, T32EB002103]; University of Chicago grant; Fermilab strategic collaboration seed grant; University of Chicago Institute for Translational Medicine pilot award [CTSA UL1 TR000430] FX This work was supported in part by the NTH grants R01EB016104 and T32EB002103, the University of Chicago and Fermilab strategic collaboration seed grants, and the University of Chicago Institute for Translational Medicine pilot award CTSA UL1 TR000430. NR 5 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 4 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500170 ER PT J AU Kislat, F Beilicke, M Zajczyk, A Guo, QZ Endsley, R Cowsik, R Dowkontt, P Barthelmy, S Hams, T Okajima, T Sasaki, M De Geronimo, G Haba, Y Saji, S Krawczynski, H AF Kislat, Fabian Beilicke, Matthias Zajczyk, Anna Guo, Qingzhen Endsley, Ryan Cowsik, Ramanath Dowkontt, Paul Barthelmy, Scott Hams, Thomas Okajima, Takashi Sasaki, Makoto De Geronimo, Gianluigi Haba, Yoshito Saji, Shigetaka Krawczynski, Henric GP IEEE TI The X-Ray Scattering Polarimeter X-Calibur SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE ID ACCRETING BLACK-HOLES; CYGNUS X-1; POLARIZATION; EMISSION; CRAB; TELESCOPE; NEBULA; SPI AB X-ray polarimetry holds the promise to resolve the inner regions of compact systems like mass accreting black holes in X-ray binaries and X-ray bright neutron stars. For example, spectropolarimetric observations of pulsars and pulsar wind nebulae can constrain the geometry and locale of particle acceleration in these sources. We designed and built X-Calibur, a hard x-ray polarimeter which was flown in the focal plane of the InFOC mu S grazing incidence mirror in the fall of 2014 from Fort Sumner (NM). Additional flights are planned for the fall of 2016 from Fort Sumner, as well as for the 2018/19 Antarctic season from McMurdo (Antarctica). X-Calibur exploits the fact that polarized photons scatter preferentially in a direction orthogonal to the orientation of their electric field vector. By combining a low-Z scattering slab with high-Z Cadmium Zinc Telluride detectors to photo-absorb the scattered X-rays, X-Calibur achieves a high detection efficiency of almost unity and a large modulation factor. We have calibrated and tested X-Calibur extensively in the laboratory at Washington University and at the Cornell High-Energy Synchrotron Source (CHESS). Measurements using the highly polarized synchrotron beam at CHESS confirm the polarization sensitivity of the instrument. In this paper we report on the design of X-Calibur, results of laboratory calibration measurements characterizing the performance of the instrument, as well as background measurements taken during the first flight. C1 [Kislat, Fabian; Beilicke, Matthias; Zajczyk, Anna; Guo, Qingzhen; Endsley, Ryan; Cowsik, Ramanath; Dowkontt, Paul; Krawczynski, Henric] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Kislat, Fabian; Beilicke, Matthias; Zajczyk, Anna; Guo, Qingzhen; Endsley, Ryan; Cowsik, Ramanath; Dowkontt, Paul; Krawczynski, Henric] Washington Univ, McDonnell Ctr Space Sci, St Louis, MO 63130 USA. [Barthelmy, Scott; Hams, Thomas; Okajima, Takashi; Sasaki, Makoto] NASA, Goddard Space Flight Ctr, Greenbelt, MD USA. [De Geronimo, Gianluigi] Brookhaven Natl Lab, Upton, NY 11973 USA. [Haba, Yoshito] Aichi Univ Educ, Kariya, Aichi, Japan. [Saji, Shigetaka] Nagoya Univ, Nagoya, Aichi, Japan. RP Kislat, F (reprint author), Washington Univ, Dept Phys, St Louis, MO 63130 USA. EM fk-islat@physics.wustl.edu FU NASA [NNX10AJ56G, NNX12AD51G]; McDonnell Center; National Science Foundation; National Institutes of Health/National Institute of General Medical Sciences under NSF [DMR-0936384] FX We are grateful for NASA funding from grant NNX10AJ56G & NNX12AD51G and discretionary funding from the McDonnell Center for the Space Sciences to build the X-Calibur polarimeter. Polarization measurements: This work is based upon research conducted at the Cornell High Energy Synchrotron Source (CHESS) which is supported by the National Science Foundation and the National Institutes of Health/National Institute of General Medical Sciences under NSF award DMR-0936384. NR 27 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 8 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500462 ER PT J AU Lee, JH Yao, YS Shrestha, U Gullberg, GT Seo, Y AF Lee, Jae H. Yao, Yushu Shrestha, Uttam Gullberg, Grant T. Seo, Youngho GP IEEE TI Handling Big Data in Medical Imaging: Iterative Reconstruction with Large-Scale Automated Parallel Computation SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB The primary goal of this project is to implement the iterative statistical image reconstruction algorithm, in this case maximum likelihood expectation maximum (MLEM) used for dynamic cardiac single photon emission computed tomography, on Spark/GraphX. This involves porting the algorithm to run on large-scale parallel computing systems. Spark is an easy-to-program software platform that can handle large amounts of data in parallel. GraphX is a graph analytic system running on top of Spark to handle graph and sparse linear algebra operations in parallel. The main advantage of implementing MLEM algorithm in Spark/GraphX is that it allows users to parallelize such computation without any expertise in parallel computing or prior knowledge in computer science. In this paper we demonstrate a successful implementation of MLEM in Spark/GraphX and present the performance gains with the goal to eventually make it useable in clinical setting. C1 [Lee, Jae H.] Univ N Carolina, Chapel Hill, NC 27599 USA. [Yao, Yushu] NERSC Ctr, Berkeley, CA 94704 USA. [Shrestha, Uttam; Seo, Youngho] Univ Calif San Francisco, Dept Radiol & Biomed Imaging, Phys Res Lab, San Francisco, CA 94143 USA. [Gullberg, Grant T.] Lawrence Berkeley Natl Lab, Struct Biol & Imaging Dept, Div Life Sci, Berkeley, CA 94704 USA. RP Lee, JH (reprint author), Univ N Carolina, Chapel Hill, NC 27599 USA. EM jaeholee@live.unc.edu; yyao@lbl.gov; uttam.shrestha@ucsf.edu; gtgullberg@lbl.gov; youngho.seo@ucsf.edu FU National Heart, Lung, and Blood Institute [R01 HL050663]; National Institute of Biomedical Imaging and Bioengineering [R01 EB012965] FX This work is supported in part by National Heart, Lung, and Blood Institute under grant #R01 HL050663 and by National Institute of Biomedical Imaging and Bioengineering under grant #R01 EB012965. NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 4 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500014 ER PT J AU Lee, W Bolotnikov, A Lee, T Camarda, G Cui, YG Gul, R Hossain, A Roy, U Yang, G James, R AF Lee, Wonho Bolotnikov, Aleksey Lee, Taewoong Camarda, Giuseppe Cui, Yonggang Gul, Rubi Hossain, Anwar Roy, Utpal Yang, Ge James, Ralph GP IEEE TI Mini Compton Camera Based on an Array of Frisch-grid CdZnTe Detectors SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE DE Compton Camera; Electronic Collimation; Frisch-Grid; CdZnTe ID SEMICONDUCTOR RADIATION DETECTOR; MAXIMUM-LIKELIHOOD; GAMMA-CAMERA; EM ALGORITHM; SPECTROMETERS; SCINTILLATOR; TOMOGRAPHY; EMISSION; READOUT AB We constructed a mini Compton camera based on an array of CdZnTe detectors and assessed its spectral and imaging properties. The entire array consisted of 6x6 Frisch-grid CdZnTe detectors, each with a size of 6x6x15 mm(3). Since it is easier and more practical to grow small CdZnTe crystals rather than large monolithic ones, constructing a mosaic array of parallelepiped crystals can be an effective way to build a more efficient, large-volume detector. With the fully operational CdZnTe array, we measured the energy spectra for Ba-133-, Cs-137-, Co-60-radiation sources; we also located these sources using a Compton imaging approach. Although the Compton camera was small enough to hand-carry, its intrinsic efficiency was several orders higher than those generated in previous research using spatially separated scintillator arrays, because our camera measured the interactions inside the CZT detector array, wherein the detector elements were positioned very close to each other. C1 [Lee, Wonho; Lee, Taewoong] Korea Univ, Dept Bioconvergence Engn, Seoul 136701, South Korea. [Bolotnikov, Aleksey; Camarda, Giuseppe; Cui, Yonggang; Gul, Rubi; Hossain, Anwar; Roy, Utpal; Yang, Ge; James, Ralph] Brookhaven Natl Lab, Dept Nonproliferat & Natl Secur, Upton, NY 11973 USA. RP Lee, W (reprint author), Korea Univ, Dept Bioconvergence Engn, Seoul 136701, South Korea. EM wonhol@korea.ac.kr FU U.S. Department of Energy; office of Defense Nuclear Nonproliferation Research & Development, DNN RD; U.S. Defense Threat Reduction Agency (DTRA); BNL'S technology Maturation Award; LLC [DE-AC02-98CH1-886]; BK21plus [21A20132212094]; National Research Foundation of Korea (NRF) - Korean government (MEST) [2012M2AA401097] FX This work was supported by U.S. Department of Energy, office of Defense Nuclear Nonproliferation Research & Development, DNN R&D, U.S. Defense Threat Reduction Agency (DTRA) and BNL'S technology Maturation Award. The manuscript has been authored by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH1-886 with the U.S. Department of Energy.; This work was supported by the BK21plus (21A20132212094) and National Research Foundation of Korea (NRF) grant (2012M2AA401097)funded by the Korean government (MEST). NR 26 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 7 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500518 ER PT J AU Lintereur, A Stave, S Kouzes, R Siciliano, E Robinson, S AF Lintereur, Azaree Stave, Sean Kouzes, Richard Siciliano, Edward Robinson, Sean GP IEEE TI Multiplicity Counter Development with (LiF)-Li-6/Zns SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB The He-3 shortage has driven a search for alternative neutron detection technologies. One of the active areas of research for He-3 alternatives is safeguards applications. Neutron coincidence and multiplicity counters that do not rely on 3He are being designed and developed. Simulations with the Monte Carlo particle transport code MCNPX were used to compare the potential performance of multiplicity counters designed with a neutron capture media of either B-10 or Li-6. The simulation results indicated that a high performing system, based on a standard figure of merit which considers the efficiency and die-away time, could be achieved with a counter constructed with sheets of (LiF)-Li-6/ZnS layered with a plastic light guide. A fourpanel bench-top counter based on the simulated configuration was constructed to demonstrate design feasibility and verify the model predictions. Presented here are the results of the system characterization, including efficiency, die-away time, gamma ray rejection, and vertical efficiency uniformity, and a comparison of the simulated results. C1 [Lintereur, Azaree; Stave, Sean; Kouzes, Richard; Siciliano, Edward; Robinson, Sean] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Lintereur, A (reprint author), Univ Utah, Salt Lake City, UT USA. EM Azaree.Lintereur@utah.edu; Sean.Stave@pnnl.gov; RKouzes@pnnl.gov; Edward.Siciliano@pnnl.gov; Sean.Robinson@pnnl.gov FU Department of Energy Office of Nonproliferation and Verification Research and Development; US Department of Energy by Battelle [DE-AC05-76RLO 1830] FX This work was supported by the Department of Energy Office of Nonproliferation and Verification Research and Development. PNNL is operated for the US Department of Energy by Battelle under contract DE-AC05-76RLO 1830. PNNL-SA-102585. NR 3 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 2 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500337 ER PT J AU MacGahan, CJ Kupinski, MA Hilton, NR Johnson, WC Brubaker, EM AF MacGahan, Christopher J. Kupinski, Matthew A. Hilton, Nathan R. Johnson, William C. Brubaker, Erik M. GP IEEE TI Development of a List-Mode Ideal Observer to Perform Classification Tasks when Imaging Nuclear Inspection Objects under Signal-Known-Exactly Conditions SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB We developed a signal-known-exactly version of the ideal observer that processes data in list-mode format to perform binary classification, a useful task for arms-control treaty applications. This observer offers the best possible performance and future observer models developed in our work will be compared to this model. The two examined sources were plutonium inspection objects developed by Idaho National Lab. We modeled a fast-neutron coded-aperture imager, developed by Oak Ridge National Lab and Sandia National Labs to acquire simulation data. Monte Carlo simulations using the GEANT4 toolkit tracked photons and neutrons from these objects to the imager. The observer model was evaluated using the area under the ROC curve for multiple background strengths. C1 [MacGahan, Christopher J.; Kupinski, Matthew A.] Univ Arizona, Coll Opt Sci, Tucson, AZ 85721 USA. [Hilton, Nathan R.; Johnson, William C.; Brubaker, Erik M.] Sandia Natl Labs, Livermore, CA 94551 USA. RP MacGahan, CJ (reprint author), Univ Arizona, Coll Opt Sci, Tucson, AZ 85721 USA. EM cmacgahan@optics.arizona.edu FU Office of Defense Nuclear Nonproliferation Research and Development, Nuclear Weapon and Material Security Team; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000. (SAND2014-20075C)]; Technology Research Initiative Fund (TRIF) imaging fellowship FX This work is supported by the Office of Defense Nuclear Nonproliferation Research and Development, Nuclear Weapon and Material Security Team. 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. (SAND2014-20075C); C. J. MacGahan was partially funded by the Technology Research Initiative Fund (TRIF) imaging fellowship during the 2013-2014 academic year. NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 5 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500307 ER PT J AU Madden, T Niu, S Narayanan, S Sandy, A Weizeorick, J Denes, P Joseph, J Moeller-Chan, V Doering, D McVittie, P AF Madden, Timothy Niu, Sufeng Narayanan, Suresh Sandy, Alec Weizeorick, John Denes, Peter Joseph, John Moeller-Chan, Victoria Doering, Dionisio McVittie, Patrick GP IEEE TI Real-Time MPI-Based Software for Processing of XPCS Data SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE DE CCD; MPI; real-time; XPCS AB We describe a software library, called MPIFCCD, based on the Message Passing Interface (MPI) for real-time parallel computing on data continuously streamed from the Frame Store Fast Charge-Coupled Device (FSFCCD) Detector located at the Advanced Photon Source (APS) at Argonne National Laboratory. The FSFCCD is used to collect data for X-ray Photon Correlation Spectroscopy (XPCS) experiments at Sector 8-ID at APS. MPIFCCD is integrated into another software package called CINController, developed at APS and Lawrence Berkeley National Laboratory to serve as a QT-based user interface for control and data collection from the FSFCCD. Real-time calculations performed by MPIFCCD include dark image integration and subtraction, noise image integration, image descrambling, and lower-level discrimination. MPIFCCD allows for continuous real-time data collection of FSFCCD data at image rates of 100 frames-per-second (fps) for 1 mega-pixel images and 1000fps for 10 kilo-pixel images. In the future, more complex computations will be implemented in real time with MPIFCCD. C1 [Madden, Timothy; Niu, Sufeng; Narayanan, Suresh; Sandy, Alec] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Denes, Peter; Joseph, John; Moeller-Chan, Victoria; Doering, Dionisio; McVittie, Patrick] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Madden, T (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. EM tmadden@anl.gov FU U.S. Department of Energy; Office of Science; Office of Basic Energy Sciences [DE-ACO2-06CH11357] FX The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory. Argonne National Laboratory's work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract DE-ACO2-06CH11357. NR 7 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 5 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500385 ER PT J AU Mannel, EJ AF Mannel, Eric J. CA PHENIX Collaboration GP IEEE TI The Performance of the sPHENIX Prototype Calorimeter Readout Electronics SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB The PHENIX collaboration has proposed a major upgrade, sPHENIX, to probe the nature of the Quark-Gluon Plasma, QGP, by studying jets produced in p+p, p+A, and A+A collisions at RHIC. The sPHENIX detector consists of a super-conducting solenoid, electromagnetic and hadronic calorimetry, and central tracking optimized for jet studies. The compact nature of the detector (r similar to 2.5m) means that the optical readout of the calorimetry will be in the vicinity of the of the magnetic field of the solenoid, which will require an optical readout immune to effects of magnetic fields. For sPHENIX, we have designed an optical readout system based on MultiPixel Photon Counters (MPPCs) for both the electromagnetic and hadronic calorimeters. As part of the design stage for sPHENIX, prototype electromagnetic and hadronic calorimeters with an MPPC based front end were built for evaluation as part of the Fermi National Laboratory Test Beam Experiment T-1044. In this paper we will present the design of the readout system based on MPPCs and the performance of the electronics in the test beam. C1 [Mannel, Eric J.; PHENIX Collaboration] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Mannel, EJ (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM mannel@bnl.gov FU Office of Nuclear Physics in DOE Office of Science and NSF (U.S.A.); MEXT and JSPS (Japan); CNPq and FAPESP (Brazil); NSFC (P.R. China); MSMT (Czech Republic); IN2P3/CNRS and CEA (France); BMBF; DAAD; AvH (Germany); OTKA and CFS (Hungary); DAE and DST (India); ISF (Israel); NRF and WCU (Korea); LUMS (Pakistan); MES; RAS; FAAE (Russia); VR and KAW (Sweden); U.S. CRDF for the FSU; Hungary-US HAESF; US-Israel BSF FX We thank the staff of the Collider-Accel. and Phys. Departments at BNL for their vital contributions. We acknowledge support from the Office of Nuclear Physics in DOE Office of Science and NSF (U.S.A.), MEXT and JSPS (Japan), CNPq and FAPESP (Brazil), NSFC (P.R. China), MSMT (Czech Republic), IN2P3/CNRS and CEA (France), BMBF, DAAD, and AvH (Germany), OTKA and CFS (Hungary), DAE and DST (India), ISF (Israel), NRF and WCU (Korea), LUMS (Pakistan), MES, RAS, and FAAE (Russia), VR and KAW (Sweden), U.S. CRDF for the FSU, Hungary-US HAESF, and US-Israel BSF.; We wish to thank the staff of Fermilab Test Beam Facility for their assistance with the the T-1044 experiment. NR 1 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 4 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500512 ER PT J AU Muschter, S Aakerstedt, H Anderson, K Bohm, C Drake, G Oreglia, M Paramonov, A Tang, F AF Muschter, S. Aakerstedt, H. Anderson, K. Bohm, C. Drake, G. Oreglia, M. Paramonov, A. Tang, F. CA ATLAS Tile Calorimeter System GP IEEE TI On-Detector Electronics for the ATLAS TileCal Demonstrator SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE C1 [Muschter, S.; Aakerstedt, H.; Bohm, C.] Stockholm Univ, Fysikum, S-10691 Stockholm, Sweden. [Anderson, K.; Oreglia, M.; Tang, F.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Drake, G.; Paramonov, A.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Muschter, S (reprint author), Stockholm Univ, Fysikum, S-10691 Stockholm, Sweden. EM muschter@fysik.su.se NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 2 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500473 ER PT J AU Ntekas, K AF Ntekas, Konstantinos CA ATLAS Muon Collaboration GP IEEE TI Design and performance studies of micromegas chambers for the ATLAS muon spectrometer upgrade SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE ID BULK AB Micromegas, an abbreviation for Micro MEsh Gaseous Structure (MM), is a robust detector with excellent spatial resolution and high rate capability. An R&D activity, called Muon ATLAS MicroMegas Activity (MAMMA), was initiated in 2007 in order to explore the potential of the MM technology for use in the ATLAS experiment. After several years of prototyping and testing, the ATLAS collaboration has chosen the micromegas technology along with the small-strip Thin Gap Chambers (sTGC) for the upgrade of the inner muon station in the high-rapidity region, the so called New Small Wheel (NSW) upgrade project. It employs eight layers of MM and eight layers of sTGC detectors. The NSW project requires fully efficient micromegas chambers, able to cope with the maximum expected rate of 15 kHz/cm(2) featuring spatial resolution better than 100 mu m. The MM detectors will cover a total active area of 1200 m(2) and will be operated in a moderate magnetic field with intensity up to 0.4 T. The required track reconstruction accuracy is provided by the intrinsic detector space resolution, accompanied by a mechanical precision at the level of 30 mu m along the precision coordinate. Moreover, together with the precise tracking capability the NSW MM chambers will contribute to the ATLAS Level-1 trigger system. An extensive R&D program is ongoing to determine the best configuration that satisfies these requirements. Several tests have been performed on small (10 x 10 cm(2)) and medium (1 x 1 m(2)) size prototypes, including also the recently developed MM quadruplet prototype, using medium (1 - 5 GeV / c) and high momentum (120 - 150 GeV / c) hadron beams at CERN. A brief overview of the results obtained from recent design and performance tests concerning the aspects discussed above is presented. C1 [Ntekas, Konstantinos] Natl Tech Univ Athens, Athens, Greece. [Ntekas, Konstantinos] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Ntekas, K (reprint author), Natl Tech Univ Athens, Athens, Greece. EM konstantinos.ntekas@cern.ch FU European Union (European Social Fund ESF); Greek national funds through the Operational Program "Education and Lifelong Learning" of the National Strategic Reference Framework (NSRF) FX The present work was co-funded by the European Union (European Social Fund ESF) and Greek national funds through the Operational Program "Education and Lifelong Learning" of the National Strategic Reference Framework (NSRF) 2007-2013. ARISTEIA-1893-ATLAS MICROMEGAS. NR 18 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 7 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500491 ER PT J AU Orr, LJ Jimenez, ES Thompson, KR AF Orr, Laurel J. Jimenez, Edward S. Thompson, Kyle R. GP IEEE TI Cluster-Based Approach to a Multi-GPU CT Reconstruction Algorithm SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB Conventional CPU-based algorithms for Computed Tomography reconstruction lack the computational efficiency necessary to process large, industrial datasets in a reasonable amount of time. Specifically, processing time for a single-pass, trillion volumetric pixel (voxel) reconstruction requires months to reconstruct using a high performance CPU-based workstation. An optimized, single workstation multi-GPU approach has shown performance increases by 2-3 orders-of-magnitude; however, reconstruction of future-size, trillion voxel datasets can still take an entire day to complete. This paper details an approach that further decreases runtime and allows for more diverse workstation environments by using a cluster of GPU-capable workstations. Due to the irregularity of the reconstruction tasks throughout the volume, using a cluster of multi-GPU nodes requires inventive topological structuring and data partitioning to avoid network bottlenecks and achieve optimal GPU utilization. This paper covers the cluster layout and non-linear weighting scheme used in this high-performance multi-GPU CT reconstruction algorithm and presents experimental results from reconstructing two large-scale datasets to evaluate this approach's performance and applicability to future-size datasets. Specifically, our approach yields up to a 20 percent improvement for large-scale data. C1 [Orr, Laurel J.; Jimenez, Edward S.] Sandia Natl Labs, Software Syst R&D, POB 5800, Albuquerque, NM 87185 USA. [Thompson, Kyle R.] Sandia Natl Labs, Struct Dynam & Xray Nondestruct Evaluat, Albuquerque, NM 87185 USA. RP Orr, LJ (reprint author), Sandia Natl Labs, Software Syst R&D, POB 5800, Albuquerque, NM 87185 USA. EM ljorr@sandia.gov; esjimen@sandia.gov; krthomp@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 12 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 7 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500386 ER PT J AU Peng, Q Moses, WW Vu, C Huber, JS Choong, WS AF Peng, Q. Moses, W. W. Vu, C. Huber, J. S. Choong, W. -S. GP IEEE TI Design of a 32-channel High-performance OpenPET Detector Board SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB A successful OpenPET electronics system needs to provide electronics, especially front-end electronics that are powerful enough to accommodate cutting-edge research. While there are a tremendous number of variations, the relatively simple nature of the data ultimately collected implies that there can be a common set of requirements. In this paper, we describe a 32-channel high-performance Detector Board (DB) designed for OpenPET to meet those requirements. The input stage of the 32-channel DB accepts differential voltages between -2 V and +2 V and has input diodes to protect against over and under voltage. As the input is differential, detector signals of either polarity can be accommodated by selecting which inputs (positive or negative) they are connected to. The input signals are then split and feed to the high-performance energy circuits and the high-performance timing circuits. The outputs of the two circuits are feed to a FPGA for TDC calculation, event data generation and transmission. We have designed, fabricated and tested a 16channel prototype DB. It functions as we expected. The 16channel prototype DB has a similar schematic structure and the same digital parts (ADC, FPGA and etc.) as the 32-channel DB described in this paper. Based on the 16-channel DB, we have completed the schematic design and functional simulation of the 32-channel DB. C1 [Peng, Q.; Moses, W. W.; Vu, C.; Huber, J. S.; Choong, W. -S.] Lawrence Berkeley Natl Lab, Struct Biol & Imaging, Berkeley, CA 94720 USA. [Peng, Q.; Moses, W. W.; Vu, C.; Huber, J. S.; Choong, W. -S.] Lawrence Berkeley Natl Lab, Struct Biol & Imaging Dept, Berkeley, CA 94720 USA. RP Peng, Q (reprint author), Lawrence Berkeley Natl Lab, Struct Biol & Imaging, Berkeley, CA 94720 USA. EM Qpeng@lbl.gov FU Office of Science, Office of Biological and Environmental Research, Biological Systems Science Division of the U.S. Department of Energy [DE-AC0205CH11231]; National Institute of Health, National Institute of Biomedical Imaging and Bioengineering [R01EB016104] FX This work was supported in part by the Director, Office of Science, Office of Biological and Environmental Research, Biological Systems Science Division of the U.S. Department of Energy under Contract No. DE-AC0205CH11231 and in part by the National Institute of Health, National Institute of Biomedical Imaging and Bioengineering, under Grant R01EB016104. NR 1 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 3 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500239 ER PT J AU Peng, Q Netscher, GM Huber, JS Vu, C Moses, WW Choong, WS AF Peng, Q. Netscher, G. M. Huber, J. S. Vu, C. Moses, W. W. Choong, W. -S. GP IEEE TI Firmware and Software Framework of OpenPET Electronics System for Radiotracer Imaging SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB The purpose of OpenPET project is to develop open source high-performance electronics for radiotracer imaging. We have developed OpenPET hardware electronics that mainly includes three custom electronics modules: the detector board (DB), the support board (SB), and the multiplexor board (MB). A reliable, scalable, flexible and user-friendly firmware and software frame need to be built to support the OpenPET hardware electronics. We adapted a firmware and software architecture that configures the OpenPET hardware electronics into a computer network with a tree topology. A data structure commonly used in reconfigurable computer networks are adapted and implemented to manage the hardware resources in the system, configure and calibrate the system, and control event data acquisition. The results of system test show that the firmware and software framework is a reliable, scalable and flexible platform for OpenPET system configuration, management, calibration, event data acquisition and processing. C1 [Peng, Q.; Netscher, G. M.; Huber, J. S.; Vu, C.; Moses, W. W.; Choong, W. -S.] Lawrence Berkeley Natl Lab, Struct Biol & Imaging, Berkeley, CA 94720 USA. RP Peng, Q (reprint author), Lawrence Berkeley Natl Lab, Struct Biol & Imaging, Berkeley, CA 94720 USA. EM Qpeng@lbl.gov FU Office of Science, Office of Biological and Environmental Research, Biological Systems Science Division of the U.S. Department of Energy [DE-AC02-05CH11231]; National Institute of Health, National Institute of Biomedical Imaging and Bioengineering [R01EB016104]; U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the CSEE Science Undergraduate Laboratory Internship (SULI) program FX This work was supported in part by the Director, Office of Science, Office of Biological and Environmental Research, Biological Systems Science Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and in part by the National Institute of Health, National Institute of Biomedical Imaging and Bioengineering, under Grant R01EB016104. This work was supported in part by the U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the CSEE Science Undergraduate Laboratory Internship (SULI) program. NR 1 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 3 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500121 ER PT J AU Popov, V Somov, A Klein, F Walford, N Sparks, N AF Popov, Vladimir Somov, Alexander Klein, Franz Walford, Natalie Sparks, Nathan GP IEEE TI Performance studies of Hamamatsu R9800 photomultiplier tube with a new active base designed for use in the Hall D Broadband Tagger Hodoscope SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB This paper presents the results of a study of a high rate photomultiplier and active base assembly designed for use in scintillator counters of the Hall D Jefferson Lab Broadband fixed-array Tagging Hodoscope. In its standard configuration the fixed-array hodoscope consists of 218 plastic scintillator counters made with Hamamatsu R9800 one inch in diameter photomultiplier tube. All tubes are equipped with designed at JLab new active base. The base comprised of a high voltage divider integrated with amplifiers powered by current flowing through the divider (U.S. Patent No. 6,791,269). This original design allows limiting the PMT anode current to 15-20 mu A at a 4 MHz count rate, and allows tube operation at lower high voltage bias voltage while retaining a desired overall gain and dynamic range of output signals. The performance of the PMT assemblies were studied at Jeffeson Lab using a picosecond laser (PLP-10). Subsequently, two hundred fifty PMT and base assemblies were manufactured and tested. The results of testing the R9800 photomultiplier in a new active base are presented and discussed. C1 [Popov, Vladimir; Somov, Alexander] Jefferson Lab, Newport News, VA 23606 USA. [Klein, Franz; Walford, Natalie; Sparks, Nathan] Catholic Univ Amer, Washington, DC 20064 USA. RP Popov, V (reprint author), Jefferson Lab, Newport News, VA 23606 USA. EM popov@jlab.org; somov@jlab.org; fklein@jlab.org; natalie@jlab.org; nsparks@jlab.org FU U. S. DOE [DE-AC05-06OR23177] FX Authored by Jefferson Science Associates, LLC under U. S. DOE Contract No. DE-AC05-06OR23177. The U. S. Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce this manuscript for U. S. Government purposes. NR 1 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 4 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500331 ER PT J AU Ratti, L Comotti, D Fabris, L Grassi, M Lodola, L Malcovati, P Manghisoni, M Re, V Traversi, G Vacchi, C Batignani, G Bettarini, S Casarosa, G Forti, F Morsani, F Paladino, A Paoloni, E Rizzo, G Benkechkache, MA Betta, GFD Mendicino, R Pancheri, L Verzellesi, G Xu, H AF Ratti, L. Comotti, D. Fabris, L. Grassi, M. Lodola, L. Malcovati, P. Manghisoni, M. Re, V. Traversi, G. Vacchi, C. Batignani, G. Bettarini, S. Casarosa, G. Forti, F. Morsani, F. Paladino, A. Paoloni, E. Rizzo, G. Benkechkache, M. A. Betta, G. -F. Dalla Mendicino, R. Pancheri, L. Verzellesi, G. Xu, H. GP IEEE TI PixFEL: enabling technologies, building blocks and architectures for advanced X-ray pixel cameras at the next generation FELs SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE ID XFEL AB The PixFEL project is conceived as the first stage of a long term research program aiming at the development of advanced instrumentation for coherent X-ray diffractive imaging applications at the next generation free electron laser (FEL) facilities. The project aims at substantially advancing the state-of-the-art in the field of 2D X-ray imaging through the adoption of cutting-edge microelectronic technologies and innovative design and architectural solutions. For this purpose, the collaboration is developing the fundamental microelectronic building blocks (low noise analog front-end with dynamic compression feature, high resolution, low power ADC, high density memories) and investigating and implementing the enabling technologies (active edge pixel sensors, high density and low density through silicon vias) for the assembly of a multilayer four side buttable tile. The building block design is being carried out in a 65 nm CMOS technology. The ambitious goal of the research program is the fabrication of an X-ray camera with single photon resolution, 1 to 10(4) photons @ 1 keV to 10 keV input dynamic range, 1 kevent in-pixel memory, 100 mu m pixel pitch, and the capability to be operated at the fast (1 MHz or larger) rates foreseen for the future X-ray FEL machines. C1 [Ratti, L.] Univ Pavia, Dipartimento Ingn Ind & Informaz, Via Ferrata 1, I-27100 Pavia, Italy. [Ratti, L.] Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Comotti, D.; Grassi, M.; Lodola, L.; Malcovati, P.; Vacchi, C.] Univ Pavia, I-27100 Pavia, Italy. [Comotti, D.; Grassi, M.; Lodola, L.; Malcovati, P.; Manghisoni, M.; Re, V.; Traversi, G.; Vacchi, C.] Ist Nazl Fis Nucl, I-27100 Pavia, Italy. [Fabris, L.; Manghisoni, M.; Re, V.; Traversi, G.] Univ Bergamo, I-24044 Dalmine, BG, Italy. [Fabris, L.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Batignani, G.; Bettarini, S.; Casarosa, G.; Forti, F.; Paladino, A.; Paoloni, E.; Rizzo, G.] Univ Pisa, I-56127 Pisa, Italy. [Batignani, G.; Bettarini, S.; Casarosa, G.; Forti, F.; Morsani, F.; Paladino, A.; Paoloni, E.; Rizzo, G.] Ist Nazl Fis Nucl, I-56127 Pisa, Italy. [Benkechkache, M. A.; Betta, G. -F. Dalla; Mendicino, R.; Pancheri, L.; Xu, H.] Univ Trento, I-38123 Trento, Italy. [Benkechkache, M. A.; Betta, G. -F. Dalla; Mendicino, R.; Pancheri, L.; Verzellesi, G.; Xu, H.] TIFPA, I-38123 Trento, Italy. [Verzellesi, G.] Univ Modena & Reggio Emilia, I-41121 Modena, Italy. RP Ratti, L (reprint author), Univ Pavia, Dipartimento Ingn Ind & Informaz, Via Ferrata 1, I-27100 Pavia, Italy. EM lodovico.ratti@unipv.it RI Malcovati, Piero/S-2458-2016 OI Malcovati, Piero/0000-0001-6514-9672 FU Istituto Nazionale di Fisica Nucleare FX The research activity presented in this paper has been carried out in the framework of the PixFEL experiment funded by Istituto Nazionale di Fisica Nucleare NR 16 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 6 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500468 ER PT J AU Shrestha, U Botvinick, EH Yeghiazarians, Y Seo, Y Gullberg, GT AF Shrestha, Uttam Botvinick, Elias H. Yeghiazarians, Yerem Seo, Youngho Gullberg, Grant T. GP IEEE TI Quantitative Signature of Coronary Steal in a Patient with Occluded Coronary Arteries Supported by Collateral Circulation Using Dynamic SPECT SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB Coronary steal (CS) is a physiological process that induces absolute decrease in blood flow in collateralized myocardium compared to resting flow during coronary vasodilation due to redistribution of blood away from collateral-dependent myocardium. Although, CS has been well known for decades, there are very few noninvasive perfusion studies in humans that quantitatively predict the existence of CS. In this study, we show that the quantitative measurement of absolute value of regional myocardial blood flow (MBF) and coronary flow reserve (CFR) using dynamic single photon emitted computed tomography (SPECT) can help estimate the presence of CS in myocardium with obstructed coronary artery and collateral circulation. C1 [Shrestha, Uttam; Seo, Youngho] Univ Calif San Francisco, Dept Radiol & Biomed Imaging, San Francisco, CA 94143 USA. [Botvinick, Elias H.; Yeghiazarians, Yerem] Univ Calif San Francisco, Med Ctr, San Francisco, CA USA. [Gullberg, Grant T.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. RP Shrestha, U (reprint author), Univ Calif San Francisco, Dept Radiol & Biomed Imaging, San Francisco, CA 94143 USA. EM uttam.shrestha@ucsf.edu FU National Institutes of Health [R01 HL050663] FX This work was supported under National Institutes of Health Grant R01 HL050663 "DYNAMIC CARDIAC SPECT Imaging". The authors would like to thank E. Verdin and UCSF technologists for coordinating the research. NR 6 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 2 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500179 ER PT J AU Skrypnyk, AI Rybka, AV Fochuk, PM Bolotnikov, AE James, RB AF Skrypnyk, A. I. Rybka, A. V. Fochuk, P. M. Bolotnikov, A. E. James, R. B. GP IEEE TI Simulation of Characteristics of Cd(Zn)Te-Detectors for Radionuclide Identification Devices SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE ID LASSO; DECONVOLUTION; REGRESSION; SPECTRA AB Room-temperature nuclear radiation detectors based on wide band-gap semiconductors have good application prospects in the compact systems intended for detecting low-level radiation and identifying radionuclides. We investigated the algorithm based on the linear regression for reconstructing the spectra of beta-gamma-radiation from mixed sources located in the sufficiently thin surface layer of soil obtained by CdZnTe detector. This algorithm gave a possibility for in-situ identification of radionuclides, which were contained in the mixture composition, and determination of the ratio of their activities and under certain conditions the values of their activities without preliminary selection and preparation of samples. The response of CdZnTe detector to radiation from Cs-137, Sr-90, K-40, I-131 and Co-60 was obtained via Monte-Carlo simulation using GEANT4 package. It allowed us to create a database of spectral signatures for the investigated detector and to use them as input data for the linear regression model. The analysis of change in the response functions of the CdZnTe detector with the increasing thickness of the Al beta-filter and the surface layer of soil, which covers the source, was conducted. C1 [Skrypnyk, A. I.; Rybka, A. V.] Kharkov Inst Phys & Technol, Natl Sci Ctr, 1,Akad Skaya St, UA-61108 Kharkov, Ukraine. [Fochuk, P. M.] Chernivtsi Natl Univ, UA-58012 Chernovtsy, Ukraine. [Bolotnikov, A. E.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Skrypnyk, AI (reprint author), Kharkov Inst Phys & Technol, Natl Sci Ctr, 1,Akad Skaya St, UA-61108 Kharkov, Ukraine. EM belkas@kipt.kharkov.ua; rybka@kipt.kharkov.ua; fochukp@gmail.com; bolotnik@bnl.gov; rjames@bnl.gov FU U.S. Department of Energy's NNSA Global Initiative of Proliferation Prevention; DOE/NNSA's Office of DNN RD FX Manuscript received November 24, 2014. This work was partially financially supported by the U.S. Department of Energy's NNSA Global Initiative of Proliferation Prevention and from the DOE/NNSA's Office of DNN R&D. NR 12 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 7 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500540 ER PT J AU Smedley, J Schubert, S Xie, J Ruiz-Oses, M Liang, X Muller, E Padmore, H Wong, J Hulbert, S Theulings, AMMG Tao, S van der Graaf, H AF Smedley, J. Schubert, S. Xie, J. Ruiz-Oses, M. Liang, X. Muller, E. Padmore, H. Wong, J. Hulbert, S. Theulings, A. M. M. G. Tao, S. van der Graaf, H. GP IEEE TI Electron Emission Processes in Photocathodes and Dynodes SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB The Timed Photon Counter 'Tipsy' detector relies on electron-emitting thin films for generation of primary electrons from a photocathode and the subsequent amplification via SiN dynodes. Both of these films represent materials challenges, and both are being investigated using synchrotrons to optimize their performance. For the dynodes, a program of soft x-ray photoemission spectroscopy (XPS) has been used to measure the performance of the films and to understand film stoichiometry and the effects of surface termination. The secondary electron yield is estimated by measuring the low energy tail of the XPS spectrum and comparing it to the rate of high energy electron emission. For photocathodes, time resolved x-ray analysis during growth has provided insight into the formation chemistry of these materials. This has allowed optimization beyond Quantum Efficiency (QE) to produce cathodes which are far less rough than traditional alkali antimonides, while retaining reasonable QE. C1 [Smedley, J.; Schubert, S.; Hulbert, S.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Theulings, A. M. M. G.; Tao, S.; van der Graaf, H.] Nikhef, Natl Inst Subat Phys, Amsterdam, Netherlands. [Ruiz-Oses, M.; Liang, X.; Muller, E.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Padmore, H.; Wong, J.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Xie, J.] Argonne Natl Lab, Lemont, IL 60439 USA. RP Smedley, J (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM smedley@bnl.gov FU European Research Council; ERC-Advanced 'MEMBrane; US Department of Energy [KC0407-ALSINT-I0013]; NSLS [DE-ACO2-98CH10886]; NSF [DMR-0936384] FX Manuscript received December 28, 2014. This work was supported by the European Research Council, ERC-Advanced 2012 'MEMBrane and by US Department of Energy under contract KC0407-ALSINT-I0013. Use of NSLS supported by DE-ACO2-98CH10886. Use of CHESS is supported by NSF award DMR-0936384. NR 4 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 4 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500500 ER PT J AU Stave, S Bernacki, B Bliss, M Cowles, C Kouzes, R Lintereur, A Robinson, S Siciliano, E Valdez, P Wood, L AF Stave, Sean Bernacki, Bruce Bliss, Mary Cowles, Christian Kouzes, Richard Lintereur, Azaree Robinson, Sean Siciliano, Edward Valdez, Patrick Wood, Lynn GP IEEE TI Progress in Development of a (LiF)-Li-6/ZnS-based Neutron Multiplicity Counter SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB Neutron multiplicity counters are used in safeguards to provide rapid assay of samples which contain an unknown amount of plutonium in a potentially unknown configuration. Alternatives to the use of He-3 for the detection of thermal neutrons are being investigated. With appropriate detector design, the neutron single, double, and triple coincidence events can be used to extract information of three unknown parameters such as the Pu-240-effective mass, the sample self-multiplication, and the (alpha,n) rate. A project at PNNL has investigated replacing He-3-based tubes with LiF/ZnS neutron-scintillator sheets and wavelength shifting plastic for light pipes. A demonstrator system was constructed and is being used to test potential data acquisition system options and neutron/gamma-ray discrimination algorithms for a larger-scale system. A full-scale system has been extensively modeled to better understand the impact of all the various components. The results of the current testing and modeling effort will inform the final design of a full scale system which is expected to match the performance of existing He-3-based neutron multiplicity counters. A review of the current effort and the most recent findings will be presented. C1 [Stave, Sean; Bernacki, Bruce; Bliss, Mary; Cowles, Christian; Kouzes, Richard; Robinson, Sean; Siciliano, Edward; Valdez, Patrick; Wood, Lynn] Pacific Northwest Natl Lab, Richland, WA 99352 USA. [Lintereur, Azaree] Univ Utah, Nucl Engn Program, Salt Lake City, UT 84112 USA. RP Stave, S (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. EM Sean.Stave@pnnl.gov; Bruce.Bernacki@pnnl.gov; Mary.Bliss@pnnl.gov; Christian.Cowles@pnnl.gov; RKouzes@pnnl.gov; Azaree.Lintereur@utah.edu; Sean.Robinson@pnnl.gov; Edward.Siciliano@pnnl.gov; Patrick.Valdez@pnnl.gov; Lynn.Wood@pnnl.gov FU Office of Defense Nuclear Nonproliferation Research and Development within the U.S. Department of Energy's National Nuclear Security Administration; PNNL; US Department of Energy by Battelle [DE-AC05-76RLO 1830, PNNL-SA-102582] FX This work was funded by the Office of Defense Nuclear Nonproliferation Research and Development within the U.S. Department of Energy's National Nuclear Security Administration. PNNL is operated for the US Department of Energy by Battelle under contract DE-AC05-76RLO 1830. This is document PNNL-SA-102582. NR 2 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 2 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500477 ER PT J AU Stewart, T Kernan, W Kulisek, J Schweppe, J Seifert, C Wittman, R AF Stewart, Trevor Kernan, Warnick Kulisek, Jonathan Schweppe, John Seifert, Carolyn Wittman, Rick GP IEEE TI Simulations of Material-Dependent Detector Responses for Airborne Gamma-Ray Spectroscopy SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB This work aims to create a library of predicted detector responses used for real-time background estimation during airborne gamma-ray spectroscopy. The simulated spectra are a function of naturally occurring radioactive potassium, uranium, and thorium (KUT) and radioactive daughter products which are present in terrestrial-based materials. Self-attenuation within these materials varies, such that the gamma spectra emitted from the surfaces can differ, despite all having KUT origins. This study also compares various simulated detector responses among materials to determine if some could be accurately scaled from another across reasonable helicopter altitudes and orientations relative to the ground. Results show that materials with comparable sample thicknesses can be scaled consistently across altitude. This work allows for efficient background estimation via aggregation of simulated detector responses in real time. C1 [Stewart, Trevor; Kernan, Warnick; Kulisek, Jonathan; Schweppe, John; Seifert, Carolyn; Wittman, Rick] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Stewart, T (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. EM Trevor.Stewart@pnnl.gov FU US Department of Homeland Security, Domestic Nuclear Detection Office [IAA HSHQDC-12-X-00376] FX This work has been supported by the US Department of Homeland Security, Domestic Nuclear Detection Office, under competitively awarded contract/IAA HSHQDC-12-X-00376. This support does not constitute an express or implied endorsement on the part of the Government. NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 4 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500348 ER PT J AU Swiderski, L Szawlowski, M Moszynski, M Para, A Czarnacki, W Grodzicka, M Iwanowska-Hanke, J Kisielinski, M Wojtkowska, J AF Swiderski, Lukasz Szawlowski, Marek Moszynski, Marek Para, Adam Czarnacki, Wieslaw Grodzicka, Martyna Iwanowska-Hanke, Joanna Kisielinski, Maciej Wojtkowska, Jolanta GP IEEE TI Common Approach to Study Scintillators Response to Gamma-rays and Protons SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE ID NON-PROPORTIONALITY; ELECTRON RESPONSE; ENERGY AB This publication reports on the methods for measuring the scintillators relative light yield from gamma-rays and protons or heavier ions. The results are presented as a function of velocity of primary ionizing particle in order to investigate quenching of scintillation light in wide range of ionization densities. Measured velocity is also transformed into electron equivalent energy, in order to show that this approach allows for extrapolation of non-proportionality characteristics below low light threshold limits encountered in experiments performed with gamma-rays, X-rays and electrons. The experiments were performed with EJ301 liquid scintillator and thallium doped CsI. In the case of EJ301 the response to gamma-rays was measured using Compton scattered gamma-rays, whereas proton response was registered via fast neutron elastic scattering. In the case of CsET1 the response to gamma-rays was measured using full energy peak detection, whereas proton and deuteron response was registered by means of the van de Graaff accelerator and the C-30 cyclotron. C1 [Swiderski, Lukasz; Szawlowski, Marek; Moszynski, Marek; Czarnacki, Wieslaw; Grodzicka, Martyna; Iwanowska-Hanke, Joanna; Kisielinski, Maciej; Wojtkowska, Jolanta] Natl Ctr Nucl Res, PL-05400 Otwock, Poland. [Para, Adam] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Swiderski, L (reprint author), Natl Ctr Nucl Res, PL-05400 Otwock, Poland. EM l.swiderski@ncbj.gov.pl; para@fnal.gov FU Polish National Centre for Research and Development [PBS2/B2/11/2014]; Fermi Research Alliance, LLC [De-ACO207CH11359] FX We would like to thank prof. M. Jaskola, dr. A. Korman and the staff of NCBJ BP1 van de Graaff "Lech" accelerator for providing the proton and deuteron beams and for allowing access to use the scattering chamber to carry out experiments.; This work was supported in part by the Polish National Centre for Research and Development under project "RaMscaN", Grant No. PBS2/B2/11/2014.; Fermi National Accelerator Laboratory is operated by Fermi Research Alliance, LLC under Contract No. De-ACO207CH11359 with the United States Department of Energy. NR 5 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 4 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500450 ER PT J AU Vogel, JK Bhandari, HB Gaskin, JA Miller, SR Nagarkar, VV Pivovaroff, MJ Ramsey, BD Singh, B AF Vogel, Julia K. Bhandari, Harish B. Gaskin, Jessica A. Miller, Stuart R. Nagarkar, Vivek V. Pivovaroff, Michael J. Ramsey, Brian D. Singh, Bipin GP IEEE TI Development of a High Spatial Resolution Detector for at-Wavelength Metrology of X-Ray Optics SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB Recent advancements in the field of x-ray astronomy have relied significantly on innovations in grazing-incidence x-ray optics technology, especially for the hard x-ray range for energies above 10 keV. The behavior of these x-ray telescopes for current and planned astrophysical and solar imaging missions needs to be well understood, and fully characterizing the optics includes measurements of the point spread function and effective area for flight optics as a function of energy and off-axis position as well as understanding the scattering and reflectivity properties of substrate coatings. This requires unique detectors with large areas, very high spatial resolution, high sensitivity, photon counting capability and energy discrimination. We report on the development of a detector that is well suited to meet these requirements. The key piece of the instrument is a high spatial-resolution, electron-multiplying charge-coupled device. The detector is back-thinned and optically bonded via a fiberoptic taper to a purpose-fabricated high resolution, high brightness CsI:Tl scintillator with a microcolumnar structure. A prototype version of this camera was used to calibrate the x-ray focusing optics for the Nuclear Spectroscopic Telescope Array (NuSTAR) mission successfully operating in space since its launch in June 2012. Here we present our recent work on the design of the EMCCD detector and scintillators, fabrication, assembly and testing of the full detector system as well as our software development efforts for single photon detection and energy discrimination. Also included are first results from our recent measurement campaign at the x-ray stray light calibration facility of NASA's Marshall Space Flight Center. C1 [Vogel, Julia K.; Pivovaroff, Michael J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Bhandari, Harish B.; Miller, Stuart R.; Nagarkar, Vivek V.; Singh, Bipin] Radiat Monitoring Devices RMD Inc, Watertown, MA 02472 USA. [Gaskin, Jessica A.; Ramsey, Brian D.] NASA, Marshall Space Flight Ctr, Huntsville, AL USA. RP Vogel, JK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM vogel@llnl.gov FU U.S. Department of Energy; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; NASA [NNX12CA83C] FX Part of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We thank NASA for funding this research under grant number NNX12CA83C. NR 14 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 9 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500463 ER PT J AU Weizeorick, J Madden, T Narayanan, S Niu, SF Sandy, A Contarato, D Denes, P Doering, D Joseph, J McVitae, P Moeller-Chan, V AF Weizeorick, John Madden, Tim Narayanan, Suresh Niu, Sufeng Sandy, Alec Contarato, Devis Denes, Peter Doering, Dionisio Joseph, John McVitae, Patrick Moeller-Chan, Victoria GP IEEE TI A 960 x 960 Fast Frame Store CCD Detector for X-ray Photon Correlation Spectroscopy SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB This paper describes a 960x960 Frame Store Fast Charge-Coupled Device (CCD) x-ray detector being used for x-ray photon correlation spectroscopy (XPCS) at the Advanced Photon Source (APS) on the 8-ID-I beam line. The detector is typically operated in either the 960 x 960 pixel mode at 100 frames per second (fps) or in the 960x90 pixel mode at 1000 fps. The vacuum subsystems consist of a top board with a custom CCD sensor, two digitizer boards with 12 custom readout chips, and a CCD clock driver board. The digitized data from the detector head is sent to a Camera Interface Node (CIN) located inside an Advanced Telecommunication Computing Architecture (ATCA) chassis. One or more processor blades in the ATCA chassis use the Message Passing Interface (MPI) protocol to perform real time parallel processing on the incoming data. When the image processing is complete, the data is stored, where it is available for further processing. C1 [Weizeorick, John; Madden, Tim; Narayanan, Suresh; Niu, Sufeng; Sandy, Alec] Argonne Natl Lab, 9700 S Cass Ave,Bld 431Z-005, Lemont, IL 60539 USA. [Contarato, Devis; Denes, Peter; Doering, Dionisio; Joseph, John; McVitae, Patrick; Moeller-Chan, Victoria] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Weizeorick, J (reprint author), Argonne Natl Lab, 9700 S Cass Ave,Bld 431Z-005, Lemont, IL 60539 USA. EM weizeor@aps.anl.gov; tmadden@aps.anl.gov; sureshn@aps.anl.gov; sufengniu@gmail.com; asandy@aps.anl.gov; dcontarato@gmail.com; PDenes@lbl.gov; dionisio-doering@uergs.edu.br; JMJoseph@lbl.gov; pmcvittie@gmail.com; Chan@lbl.gov FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy (DOE) [DE-AC02-06CH11357] FX The Advance Photon Source at Argonne National Laboratory is supported by Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy (DOE) Contract no. DE-AC02-06CH11357. NR 6 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 6 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500332 ER PT J AU Zan, YL HoukIlk, R Huang, Q Gullberg, GT AF Zan, Yunlong HoukIlk, Rostyslav Huang, Qiu Gullberg, Grant T. GP IEEE TI Optimized acquisition protocols for dynamic cardiac SPECT imaging of rats with I-123-MIBG SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE AB Our previous work in dynamic cardiac SPECT imaging of rats with 123I-MIBG showed that with a slow rotation camera (dual head acquisition with 90s per rotation and a 1s acquisition interval at each angle) we could accurately obtain the time activity curves (TACs) and estimate compartmental model parameters. However, the long acquisition time (usually exceeding 60 rotations) limits the throughput and the animal survival rate. The short acquisition interval (1s) can result in the poor photon statistics which increases the variance of the TACs even though it reduce the bias of the TACs. In this study, we tried to shorten the whole acquisition time, optimize the acquisition time interval at each projection view adaptively, while maintaining the estimation accuracy of the kinetic parameters through computer simulations studies. First, the original blood pool TAC (bTAC) was obtained by averaging the bTACs of 5 WKY rats acquired previously. The tissue TAC (tTAC) was the two-tissue compartmental model output with pre-defined kinetic parameters and the original bTAC as the input. Then we cut off the first n segments of 2s, 5s, 10s, 20s and 30s in the bTAC to mimic the acquisition intervals during the acquisition. The cutoff portions were extrapolated to form new bTACs. The relative entropy of the new bTAC and the original bTAC was calculated to decide the max segment number n that could be tolerable. The same segments were also cut off in the tTAC. Finally, the resultant bTACs and tTACs were truncated with acquisition lengths of 1.5, 3, 4.5, 9, 18, 36, and 72 mins and fit to the twotissue compartment model to estimate the kinetic parameters (K-1, k(2), k(3), k(4)). The Distribution Volume (DV) was calculated from the kinetic parameters. The percentage error (PE) between the estimated parameters and pre-defined parameters were calculated. The results showed that, to match the PE with the original protocol, the kinetic parameter K-1 could be estimated with an acquisition time of 90s with non-uniform acquisition protocols of 2s. The DV could be estimated with an acquisition time of 180s with non-uniform acquisition protocols of 5s. C1 [Zan, Yunlong; Huang, Qiu] Shanghai Jiao Tong Univ, Sch Biomed Engn, Shanghai, Peoples R China. [HoukIlk, Rostyslav; Gullberg, Grant T.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Zan, YL (reprint author), Shanghai Jiao Tong Univ, Sch Biomed Engn, Shanghai, Peoples R China. EM huangjone@yahoo.com FU Innovation Program of Shanghai Municipal Education Commission [13ZZ017]; International Science & Technology Cooperation Program of China [2013DFB30270]; NIH [R01 HL50663, R01 EB07219]; Office of Science, Office of Biological and Environmental Research of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported in part by the Innovation Program of Shanghai Municipal Education Commission 13ZZ017, International Science & Technology Cooperation Program of China 2013DFB30270, and by NIH grants R01 HL50663 and R01 EB07219 and by the Director, Office of Science, Office of Biological and Environmental Research of the US Department of Energy under contract DE-AC02-05CH11231. NR 6 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6097-2 PY 2014 PG 3 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500251 ER PT J AU Zhang, YG Quiter, BJ Barton, PJ Plimley, BC Vetter, K Geddes, CGR AF Zhang, Yigong Quiter, Brian J. Barton, Paul J. Plimley, Brian C. Vetter, Kai Geddes, Cameron G. R. GP IEEE TI CCD-Based Diagnostics for Pulsed MeV Photon Beams SO 2014 IEEE NUCLEAR SCIENCE SYMPOSIUM AND MEDICAL IMAGING CONFERENCE (NSS/MIC) LA English DT Proceedings Paper CT IEEE Nuclear Science Symposium / Medical Imaging Conference (NSS/MIC) CY NOV 08-15, 2014 CL Seattle, WA SP IEEE ID ELECTRON-BEAMS; ACCELERATOR AB Narrow bandwidth, MeV-level photon beams can be generated by Thomson scattering of laser light from fast electrons. Intense photon sources (> 1 MeV, 10(8) photons/shot) from laser plasma accelerated GeV electrons present the possibility for compact active interrogation devices. However, the characterization of such intense photon beams is inherently challenging due to mm-scale focusing and fs-scale pulse duration. A solution to the characterization of both spatial and energy distributions of each shot is to employ a low mass scattering material and track the scattered Compton electron's direction and energy. Following previous work at UC Berkeley with electron track Compton imaging in fully-depleted silicon CCDs, we present a measurement scheme for the shot-by-shot measurement of MeV photon beam position and energy. C1 [Zhang, Yigong; Quiter, Brian J.; Barton, Paul J.; Vetter, Kai; Geddes, Cameron G. R.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zhang, Yigong; Plimley, Brian C.; Vetter, Kai] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Zhang, YG (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM ygzhang@lbl.gov; bjquiter@lbl.gov; pjbarton@lbl.gov; brianp@berkeley.edu; kvetter@lbl.gov; cgrgeddes@lbl.gov FU United States Department of Energy; National Nuclear Security Administration; Defense Nuclear Nonproliferation RD FX Manuscript received December 31st, 2014. This work was supported by United States Department of Energy, National Nuclear Security Administration, Defense Nuclear Nonproliferation R&D. 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 BN 978-1-4799-6097-2 PY 2014 PG 5 WC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA BG9AN UT WOS:000392917500496 ER PT S AU Brahma, SM Trejo, J Stamp, J AF Brahma, Sukumar M. Trejo, Jonathan Stamp, Jason GP IEEE TI Insight into Microgrid Protection SO 2014 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES CONFERENCE EUROPE (ISGT EUROPE) SE IEEE PES Innovative Smart Grid Technologies Conference Europe LA English DT Proceedings Paper CT 5th IEEE PES Innovative Smart Grid Technologies Conference Europe (ISGT Europe) CY OCT 12-15, 2014 CL Istanbul, TURKEY SP IEEE PES DE Fault; microgrid; power system protection; short circuit analysis ID SCHEME AB Microgrids consist of a combination of generation resources and load, forming an electrically sustainable entity. Although the feeder configuration, including location of circuit breakers or switches, and selection of protective devices can change from one microgrid to another, some characteristics like size of microgrid and behavior of sources feeding a fault remains similar. Due to the non-uniformity of configuration, no definite choices of protection schemes have emerged. This paper analyzes the performance of three most commonly used principles of protection-overcurrent, distance, and differential -on a microgrid topology based on three actual microgrid designs. Importance and implementation of safe islanding and resynchronization are also discussed. Though this research was done primarily for microgrids at United States military bases, the analysis and conclusions may be applied to microgrids in general. C1 [Brahma, Sukumar M.] New Mexico State Univ, Las Cruces, NM 88003 USA. [Trejo, Jonathan] El Paso Elect, El Paso, TX USA. [Stamp, Jason] Sandia Natl Labs, Albuquerque, NM USA. RP Brahma, SM (reprint author), New Mexico State Univ, Las Cruces, NM 88003 USA. EM sbrahma@nmsu.edu; jonathan.trejo@epelectric.com; jestamp@sandia.gov FU Sandia National Laboratories Grant [PO 1117823] FX This work was supported by the Sandia National Laboratories Grant PO 1117823 NR 21 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2165-4816 BN 978-1-4799-7720-8 J9 IEEE PES INNOV SMART PY 2014 PG 6 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BG9NY UT WOS:000393467600090 ER PT S AU Khamphanchai, W Saha, A Rathinavel, K Kuzlu, M Pipattanasomporn, M Rahman, S Akyol, B Haack, J AF Khamphanchai, W. Saha, A. Rathinavel, K. Kuzlu, M. Pipattanasomporn, M. Rahman, S. Akyol, B. Haack, J. GP IEEE TI Conceptual Architecture of Building Energy Management Open Source Software (BEMOSS) SO 2014 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES CONFERENCE EUROPE (ISGT EUROPE) SE IEEE PES Innovative Smart Grid Technologies Conference Europe LA English DT Proceedings Paper CT 5th IEEE PES Innovative Smart Grid Technologies Conference Europe (ISGT Europe) CY OCT 12-15, 2014 CL Istanbul, TURKEY SP IEEE PES DE Building energy management; open source; and demand response AB The objective of this paper is to present a conceptual architecture of a Building Energy Management Open Source Software (BEMOSS) platform. BEMOSS is an open source operating system that is expected to improve sensing and control of equipment in small-and medium-sized commercial buildings, reduce energy consumption and help implement demand response (DR). It aims to offer: scalability, robustness, plug and play, open protocol, interoperability, cost-effectiveness, as well as local and remote monitoring. In this paper, four essential layers of BEMOSS software architecture - namely User Interface, Application and Data Management, Operating System and Framework, and Connectivity layers - are presented. A laboratory test bed to demonstrate the functionality of BEMOSS located at the Advanced Research Institute of Virginia Tech is also briefly described. C1 [Khamphanchai, W.; Saha, A.; Rathinavel, K.; Kuzlu, M.; Pipattanasomporn, M.; Rahman, S.] Virginia Tech, Adv Res Inst, Arlington, VA 22203 USA. [Akyol, B.; Haack, J.] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Khamphanchai, W (reprint author), Virginia Tech, Adv Res Inst, Arlington, VA 22203 USA. EM kwarodom@vt.edu; avijit@vt.edu; kruthika@vt.edu; mkuzlu@vt.edu; mpipatta@vt.edu; srahman@vt.edu; bora@pnnl.gov; jereme.haack@pnnl.gov FU U.S. Department of Energy [DE-EE-0006352] FX This work was supported in part by the U.S. Department of Energy under Grant# DE-EE-0006352. NR 5 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2165-4816 BN 978-1-4799-7720-8 J9 IEEE PES INNOV SMART PY 2014 PG 6 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BG9NY UT WOS:000393467600054 ER PT J AU Abhyankar, S Cui, QS Flueck, AJ AF Abhyankar, Shrirang Cui, Qiushi Flueck, Alexander J. GP IEEE TI Fast Power Flow Analysis using a Hybrid Current-Power Balance Formulation in Rectangular Coordinates SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Power Flow; Load Flow; Current Balance; Power Balance ID LOAD FLOW AB Power flow is the backbone of steady-state analysis of power systems. Various steady-state applications such as contingency analysis, transfer limit calculations, and initialization of transient stability simulation, etc., hinge on the solution of power flow analysis. Hence, any performance improvement in power flow will improve various steady-state applications. In this paper we present a fast power flow analysis using a hybrid current-power balance formulation with the variables expressed in rectangular form. The computational efficiency and robustness of the proposed algorithm is presented for several test systems ranging from 100 to 3000 buses. C1 [Abhyankar, Shrirang] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Cui, Qiushi] McGill Univ, Dept Elect & Comp Engn, Montreal, PQ, Canada. [Flueck, Alexander J.] IIT, Dept Elect & Comp Engn, Chicago, IL 60616 USA. RP Abhyankar, S (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM abhyshr@mcs.anl.gov; qiushi.cui@mail.mcgill.ca; flueck@iit.edu NR 12 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900242 ER PT J AU Abhyankar, S Flueck, AJ AF Abhyankar, Shrirang Flueck, Alexander J. GP IEEE TI Multiphysics Solvers for Implicitly Coupled Electromechanical and Electromagnetic Transients Simulation SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Hybrid simulator; implicitly-coupled solution approach; block composable solvers; transient stability; electromagnetic transients ID DYNAMIC-ANALYSIS; SYSTEMS AB By exploiting the structure of the Jacobian matrix for combined electromechanical-electromagnetic transients simulation, numerically efficient multiphysics solvers can be composed. Three multiphysics solvers: Block-Jacobi, Block-GaussSeidel, and Schur-complement based are presented for the implicitly coupled electromechanical and electromagnetic transients simulation. Results for a 9-bus and 118 bus system show the computational efficiency of the proposed multiphysics solvers as compared with direct solution vwith LU factorization. C1 [Abhyankar, Shrirang] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Flueck, Alexander J.] IIT, Dept Elect & Comp Engn, Chicago, IL 60616 USA. RP Abhyankar, S (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM abhyshr@mcs.anl.gov; flueck@iit.edu 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 BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900023 ER PT J AU Coogan, K Reno, MJ Grijalva, S Broderick, RJ AF Coogan, Kyle Reno, Matthew J. Grijalva, Santiago Broderick, Robert J. GP IEEE TI Locational Dependence of PV Hosting Capacity Correlated with Feeder Load SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE distributed power generation; photovoltaic systems; power distribution; power system interconnection; power system modeling; solar power generation AB With rising adoption of solar energy, it is increasingly important for utilities to easily assess potential interconnections of photovoltaic (PV) systems. In this analysis, we show the maximum feeder voltage due to various PV interconnections and provide visualizations of the PV impact to the distribution system. We investigate the locational dependence of PV hosting capacity by examining the impact of PV system size on these voltages with regard to PV distance and resistance to the substation. We look at the effect of increasing system size on line loading and feeder violations. The magnitude of feeder load is also considered as an independent variable with repeated analyses to determine the effect on the PV impact analysis. A technique is presented to determine and visualize the maximum capacity for possible PV installations for distribution feeders. C1 [Coogan, Kyle; Reno, Matthew J.; Grijalva, Santiago] Georgia Inst Technol, Sch Elect & Comp Engn, Atlanta, GA 30332 USA. [Broderick, Robert J.] Sandia Natl Labs, Photovolta & Distributed Grid Integrat, Albuquerque, NM 87185 USA. RP Coogan, K (reprint author), Georgia Inst Technol, Sch Elect & Comp Engn, Atlanta, GA 30332 USA. NR 16 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900276 ER PT J AU Dimitrovski, A Li, Z Ozpineci, B AF Dimitrovski, A. Li, Z. Ozpineci, B. GP IEEE TI Applications of Saturable-core Reactors (SCR) in Power Systems SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Saturable-core reactor; power flow control; fault current limiter; power electronics AB The study of the saturable-core reactor (SCR) can be traced back to 1900's. Although commonly used in electronic circuit applications, SCR has seldom been used in power system applications. In recent years, power engineers have raised interest in exploring applications of SCR in power systems. The SCR is low-cost and durable. Its nature of using the magnetic field as control medium makes it more familiar and, perhaps, more easily accepted by power utilities. In this paper, the basic concept of SCR and some existing or potential applications of SCR in power systems are introduced. A project on the R&D of a SCR-based power flow controller has been funded by the U.S. Department of Energy (DOE) and conducted by the Oak Ridge National Laboratory (ORNL), the University of Tennessee-Knoxville, and Waukesha Electric Systems, Inc. since early 2012. Some technical details of the project are presented and some preliminary results are highlighted. C1 [Dimitrovski, A.; Li, Z.; Ozpineci, B.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, One Bethel Valley Rd,MS 6070, Oak Ridge, TN 37831 USA. RP Dimitrovski, A (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, One Bethel Valley Rd,MS 6070, Oak Ridge, TN 37831 USA. EM aleksandar@ieee.org; liz2@ornl.gov; burak@ornl.gov NR 10 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900193 ER PT J AU Elizondo, M Marinovici, L Lian, JM Kalsi, K Du, PW AF Elizondo, Marcelo Marinovici, Laurentiu Lian, Jianming Kalsi, Karanjit Du, Pengwei GP IEEE TI Mitigation of Remedial Action Schemes by Decentralized Robust Governor Control SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc ID POWER-SYSTEMS; FEEDBACK; STABILITY; COLSTRIP AB Remedial action schemes (RAS) in power systems are designed to maintain stability and avoid undesired system conditions by rapidly switching equipment and/or changing operating points according to predetermined rules. The acceleration trend relay currently in use in the US western interconnection is an example of RAS that trips generators to maintain transient stability. Recently, a new distributed hierarchical control (DHC) architecture was proposed for multi-area power systems. In this architecture, local decentralized governor controllers were developed to improve the frequency stability. In this paper, the integration of RAS to the newly proposed DHC is investigated. Specifically, the interactions of RAS with local decentralized robust governor control are analyzed. The influence of the decentralized robust governor control on the design of RAS is studied. Benefits of combining these two schemes are increasing power transfer capability and mitigation of RAS generator tripping actions; the latter benefit is shown through simulations. C1 [Elizondo, Marcelo] Pacific NW Natl Lab, Seattle, WA 98109 USA. [Marinovici, Laurentiu; Lian, Jianming; Kalsi, Karanjit; Du, Pengwei] Pacific NW Natl Lab, Richland, WA 99354 USA. [Du, Pengwei] Elect Reliabil Council Texas, Austin, TX 78744 USA. RP Elizondo, M (reprint author), Pacific NW Natl Lab, Seattle, WA 98109 USA. EM Marcelo.Elizondo@pnnl.gov; Laurentiu.Marinovici@pnnl.gov; Jianming.Lian@pnnl.gov; Karanjit.Kalsi@pnnl.gov; pengwei.du@ercot.com 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 BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900157 ER PT J AU Etingov, P Makarov, YV Wu, D Hou, ZS Sun, YN Maslennikov, S Luo, XC Zheng, TX George, S Knowland, T Litvinov, E Weaver, S Sanchez, E AF Etingov, Pavel Makarov, Yuri V. Wu, Di Hou, Zhangshuan Sun, Yannan Maslennikov, Slava Luo, Xiaochuan Zheng, Tongxin George, Stephen Knowland, Thomas Litvinov, Eugene Weaver, Steven Sanchez, Eduardo GP IEEE TI Uncertainty-based Estimation of the Secure Range for ISO New England Dynamic Interchange Adjustment SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Interchange scheduling; forecast errors; ramping capability; uncertainty AB The paper proposes an approach to estimate the secure range for dynamic interchange adjustments. This assessment will assist system operators with dynamic intra-hour interchange scheduling with neighboring control areas. This feature will enable providing balancing services between system operators. Uncertainties and variability associated with different sources are incorporated. The proposed method is implemented by Pacific Northwest National Laboratory (PNNL) for ISO New England (ISO-NE). Simulation results are used to validate the effectiveness of the proposed method. C1 [Etingov, Pavel; Makarov, Yuri V.; Wu, Di; Hou, Zhangshuan; Sun, Yannan] Pacific NW Natl Lab, Richland, WA 99352 USA. [Maslennikov, Slava; Luo, Xiaochuan; Zheng, Tongxin; George, Stephen; Knowland, Thomas; Litvinov, Eugene; Weaver, Steven; Sanchez, Eduardo] ISO New England, Holyoke, MA USA. RP Etingov, P (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM pavel.etingov@pnnl.gov; smaslennikov@iso-ne.com RI Hou, Zhangshuan/B-1546-2014 OI Hou, Zhangshuan/0000-0002-9388-6060 NR 4 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900038 ER PT J AU Fang, X Li, FX Xu, Y AF Fang, Xin Li, Fangxing Xu, Yan GP IEEE TI Reactive Power Planning Considering High Penetration of Wind Energy SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Voltage stability constrained optimal power flow (VSCOPF); reactive power planning (RPP); wind power; Weibull distribution; Multi-scenario two sets of variables (MTSV) AB This paper addresses the optimal placement of reactive power (VAR) sources under the paradigm of a high penetration of wind energy. The reactive power planning (RPP) investment in this particular condition involves a high level of uncertainty due to the characteristics of wind power. The correlation between wind speeds of different wind farms should also be considered when there are multiple wind farms. To properly model wind generation uncertainty, a multi-scenario framework for optimal power flow that considers voltage stability constraints is developed. The objective of RPP is to minimize the total system cost (VAR cost and the expected generation cost). So, the RPP with these conditions optimizes the VAR location and size while minimizing the fuel cost and therefore finding the global optimal RPP results. The approach is based on two sets of variables (TSV) combined with the multi-scenario model. A case study is provided to verify the proposed method. C1 [Fang, Xin; Li, Fangxing] Univ Tennessee, Dept EECS, Knoxville, TN USA. [Xu, Yan] Oak Ridge Natl Lab, Power & Energy Syst Grp, Oak Ridge, TN USA. RP Fang, X (reprint author), Univ Tennessee, Dept EECS, Knoxville, TN USA. EM xfang2@utk.edu; fli6@utk.edu; xuy3@ornl.gov NR 12 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900246 ER PT J AU Gene, S Baggu, M AF Gene, S. Baggu, M. GP IEEE TI Look Ahead Volt/VAR Control: A Comparison of Integrated and Coordinated Methods SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE optimal control; power distribution; reactive power control; smart grids; voltage control; Volt/Var control ID GENETIC ALGORITHM; OPTIMIZATION; FUZZY AB In this paper, multiple approaches for solving Volt/VAR Control (VVC) optimization problem are compared. Two different VVC schemes are evaluated in detail for managing Distribution control assets such as Load Tap Changers, capacitor banks and voltage regulators on day ahead basis to achieve multiple objective functions by minimizing switching operations of the assets. The first approach is an integrated optimization based on a dynamic programming algorithm converging to a global optimal solution with the drawback of time of convergence. The second approach is a coordinated optimization algorithm that is computationally efficient at the expense of optimality (an approximate solution to the minimum cost of the objective function). The algorithms are applied on a real world distribution network. Robust Matlab/OpenDSS simulation platform is used to compare the effectiveness of the algorithms. C1 [Baggu, M.] Natl Renewable Energy Lab, Distributed Energy Syst Integrat Grp, Golden, CO 80401 USA. [Gene, S.] Gen Elect Global Res, Model Based Control Lab, Niskayuna, NY 12309 USA. RP Gene, S (reprint author), Gen Elect Global Res, Model Based Control Lab, Niskayuna, NY 12309 USA. NR 16 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900080 ER PT J AU Grady, WM Gravagne, I Warren, A Thomas, H AF Grady, W. Mack Gravagne, Ian Warren, Alexandria Thomas, Holly GP IEEE TI Predicting the Energy Harvests of PV Installations Using Rotating Shadow Band Radiometer Data SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE photovoltaic systems; solar energy; solar power generation AB Actual solar radiation data are invaluable for determining the potential energy harvest and harvest uncertainties at proposed PV farm locations, and for benchmarking the daily performance of existing PV installations in the surrounding area. Benchmarking helps to determine if PV installations are producing the energy that they should, taking into consideration daily variations in solar radiation levels. This paper documents a procedure for using one-minute spaced rotating shadow band radiometer data to predict daily and hourly energy harvests (kWh per installed kW) and better understand their uncertainties. The data presented are for a desert site in West Texas. The panel orientations considered include 1. fixed mounts over a wide range of azimuth and tilt angles, 2. south-facing fixed-tilt single-axis trackers, and 3. dualaxis trackers. Results for one year are given, and the impact of sub-optimal fixed panel orientations and tracking methods are shown. C1 [Grady, W. Mack; Gravagne, Ian; Warren, Alexandria] Baylor Univ, Dept Elect & Comp Engn, Waco, TX 76798 USA. [Thomas, Holly] US DOE, Energy Efficiency & Renewable Energy Solar Progra, Golden, CO USA. RP Grady, WM (reprint author), Baylor Univ, Dept Elect & Comp Engn, Waco, TX 76798 USA. EM Mack_Grady@baylor.edu; holly.thomas@go.doe.gov NR 3 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900103 ER PT J AU Hafen, RP Samaan, N Makarov, YV Diao, RS Lu, N AF Hafen, Ryan P. Samaan, Nader Makarov, Yuri V. Diao, Ruisheng Lu, Ning GP IEEE TI Joint Seasonal ARMA Approach for Modeling of Load Forecast Errors in Planning Studies SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Power system planning; Operations; Probabilistic methods; Time series analysis; Forecasting; Load modeling AB To make informed and robust decisions in the probabilistic power system operation and planning process, it is critical to conduct multiple simulations of the generated combinations of wind and load parameters and their forecast errors to handle the variability and uncertainty of these time series. In order for the simulation results to be trustworthy, the simulated series must preserve the salient statistical characteristics of the real series. In this paper, we analyze dayahead load forecast error data from multiple balancing authority locations and characterize statistical properties such as mean, standard deviation, autocorrelation, correlation between series, time-of-day bias, and time-of-day autocorrelation. We then construct and validate a seasonal autoregressive moving average (ARMA) model to model these characteristics, and use the model to jointly simulate day-ahead load forecast error series for all BAs. C1 [Hafen, Ryan P.; Samaan, Nader; Makarov, Yuri V.; Diao, Ruisheng] Pacific NW Natl Lab, Richland, WA 99352 USA. [Lu, Ning] N Carolina State Univ, Elect & Comp Engn, Raleigh, NC 27695 USA. RP Hafen, RP (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM ryan.hafen@pnnl.gov; nader.samaan@pnnl.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900003 ER PT J AU Han, D Lin, T Liu, YL Ma, J Zhang, GQ AF Han, Dong Lin, Tao Liu, Yilu Ma, Jin Zhang, Guoqiang GP IEEE TI Uncertainty Analysis of Load Model based on The Sparse Grid Stochastic Collocation Method SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Uncertainty analysis; Composite load model; Sparse grid stochastic collocation method; Multiple parameters AB There are a lot of uncertainties in load modeling and it parameter solutions, which is difficult to estimate uncertainty with traditional methods if the number of parameters is immense. This paper adopts the sparse grid stochastic collocation method for uncertainty analysis, and proposes a strategy available to calculate the multi-parameter uncertainty arising from load models. For multiple random inputs, sparse grid method can be regarded as an extension of Gaussian quadrature formulas in multi-dimensional cases. Based on the sparse grid stochastic collocation method, the collocation points can be selected among the Gaussian points of (l+1) order and lower than (l+1) order. Compared to other probabilistic analysis methods, it can not only maintain the integral precision but avoid the exponential rise of collocation points, and can greatly reduce simulation time. The case study on multi-parameter uncertainty of the composite load model verifies the integral precision and the validity of the proposed method. C1 [Han, Dong; Lin, Tao; Zhang, Guoqiang] Chinese Acad Sci, Inst Elect Engn, Beijing 100190, Peoples R China. [Lin, Tao] Univ Chinese Acad Sci, Beijing, Peoples R China. [Liu, Yilu] Univ Tennessee, Knoxville, TN 37996 USA. [Liu, Yilu] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. [Ma, Jin] North China Elect Power Univ, Minist Educ, Key Lab Power Syst Protect & Dynam Secur Monitori, Beijing 102206, Peoples R China. RP Han, D (reprint author), Chinese Acad Sci, Inst Elect Engn, Beijing 100190, Peoples R China. EM donghan@mail.iee.ac.cn; liu@utk.edu; jinma@ncepu.edu.cn NR 16 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900001 ER PT J AU Johnson, BJ Starke, MR Abdelaziz, OA Jackson, RK Tolbert, LM AF Johnson, Brandon J. Starke, Michael R. Abdelaziz, Omar A. Jackson, Roderick K. Tolbert, Leon M. GP IEEE TI A MATLAB Based Occupant Driven Dynamic Model for Predicting Residential Power Demand SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Occupant behavior modeling; Markov chain; Dynamic load modeling; Residential power demand AB This paper presents a MATLAB based dynamic model for predicting residential power demand. Markov chain based occupant behavior models developed using data gathered by the U.S. Census Bureau in the American Time Use Survey (ATUS) are used in conjunction with models of the most common residential loads to predict residential power demand on a one-second time scale. First, the methods utilized for the modeling of each residential load are presented. Next, an explanation of how these load models are combined with occupant behavior models to predict residential power demand is given. Simulation results showing the overall contribution of each load to the overall residential sector power demand are shown for both winter and summer cases. Finally, future work will involve the use of this high-resolution dynamic residential model to estimate the potential for demand response from residential loads. C1 [Johnson, Brandon J.; Starke, Michael R.; Abdelaziz, Omar A.; Jackson, Roderick K.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Johnson, Brandon J.; Tolbert, Leon M.] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN USA. RP Johnson, BJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. RI Jackson, Roderick/H-6940-2016 NR 11 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900172 ER PT J AU Kou, GF Culliss, J Markham, P Liu, YL Hadley, S Stovall, J King, T AF Kou, Gefei Culliss, Jerel Markham, Penn Liu, Yilu Hadley, Stanton Stovall, John King, Tom GP IEEE TI Developing Generic Dynamic Models for the 2030 Eastern Interconnection Grid SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Phasor measurement units; Power system dynamics; Power system modeling AB The Eastern Interconnection Planning Collaborative (EIPC) has built three major power flow cases for the 2030 Eastern Interconnection (EI) based on various levels of energy/ environmental policy conditions, technology advances, and load growth. Using the power flow cases, this paper documents the process of developing the generic 2030 dynamic models using typical dynamic parameters. The constructed model was validated indirectly using the synchronized phasor measurements by removing the wind generation temporarily. C1 [Kou, Gefei; Culliss, Jerel; Markham, Penn; Liu, Yilu] Univ Tennessee, Knoxville, TN USA. [Hadley, Stanton; Stovall, John; King, Tom] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Kou, GF (reprint author), Univ Tennessee, Knoxville, TN USA. EM gkou@utk.edu; hadleysw@ornl.gov NR 29 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900237 ER PT J AU Kueck, J Kosterev, D Undrill, J Eto, J AF Kueck, John Kosterev, Dmitry Undrill, John Eto, Joseph GP IEEE TI Voltage Sag and Recovery Influence for Modeling Motor Loads SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE load response to voltage transients; modeling load with voltage transients AB This report assesses the influence of voltage sag and recovery on typical motor loads so that reasonable estimations of load response can be made in system planning studies. The Load Composition Model (Kosterev) divides motor loads into four classes; this report breaks down each class into categories of motor type and provides an overview of protection response for each motor type. This report also discusses the effect of the point on wave where the voltage sag begins. C1 [Kosterev, Dmitry] Bonneville Power Adm, Portland, OR 97232 USA. [Eto, Joseph] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM kueckj@bellsouth.net; dnkosterev@bpa.gov; jundrill@q.com; jheto@lbl.gov NR 5 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900140 ER PT J AU Liu, Y Liu, YL Gracia, JR King, TJ AF Liu, Yong Liu, Yilu Gracia, Jose R. King, Thomas J. GP IEEE TI Variable-speed Wind Generation Control for Frequency Regulation in the Eastern Interconnection (EI) SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Eastern Interconnection; Fast active power control; Frequency regulation; Variable-speed wind generators; User-defined electrical control model ID FAULT RIDE-THROUGH; SYSTEM AB The United States Eastern Interconnection (EI) might go through some profound changes due to the increasing penetration of wind power in this bulk grid, including the worsening of the frequency response. However, the fast response speed of electronic converter devices makes it possible that the kinetic energy stored and/or wind power reserve (if it exists) in variable-speed wind generation could be injected into the power grid in a fast manner. This portion of fast, injected active power could contribute to frequency regulation of the EI significantly if implemented with appropriate control schemes. This paper introduces the basic theories of fast active power control techniques of variable-speed wind generation. This paper then describes a user-defined wind electrical control model with fast active power controllers built in PSS/E. Based on the 16,000-bus EI system dynamic model, a dynamic case with realistic penetration of wind power is created. Taking advantage of the user-defined wind electrical control model, the potential contribution of variable-speed wind generation to the EI system frequency regulation is evaluated. Simulation results demonstrate that current and future wind generation sources are promising in providing frequency regulation in EI system. C1 [Liu, Yong; Liu, Yilu] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN USA. [Gracia, Jose R.; King, Thomas J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Liu, Y (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN USA. EM Yliu66@utk.edu; liu@utk.edu; graciajr@ornl.gov; kingtjjr@ornl.gov NR 23 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900115 ER PT J AU Makarov, YV Vyakaranam, B Wu, D Lee, B Hou, ZS Elbert, ST Huang, ZY AF Makarov, Yuri V. Vyakaranam, Bharat Wu, Di Lee, Barry Hou, Zhangshuan Elbert, Stephen T. Huang, Zhenyu (Henry) GP IEEE TI On the Configuration of the US Western Interconnection Voltage Stability Boundary SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Eigenvalues; Jacobian matrix singularity; load flow; saddle node bifurcations; topology; voltage stability ID SYSTEMS AB Stability limits are considered in power system planning and operations to estimate the available stability margins and, if possible, to maximize the use of transmission facilities. These important tasks are influenced by configuration of the voltage stability boundary. This paper first propose a new method to explore static voltage stability conditions in Cartesian coordinates instead of polar coordinates. In this way, the formulated singularity problem can be reduced to solving a set of linear equations with respect to real and imaginary components of nodal voltages. Using the proposed method, several case studies were performed for 17939-bus U. S. Western Interconnection planning model. Significant peculiarities of the boundary configuration were identified, including its non-convexity, discontinuity, branching and internal singularities ("holes") that were not known before and could not be found by traditional methods. C1 [Makarov, Yuri V.; Vyakaranam, Bharat; Wu, Di; Lee, Barry; Hou, Zhangshuan; Elbert, Stephen T.; Huang, Zhenyu (Henry)] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Makarov, YV (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuri.makarov@pnnl.gov RI Hou, Zhangshuan/B-1546-2014 OI Hou, Zhangshuan/0000-0002-9388-6060 NR 10 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900102 ER PT J AU McMorran, AW Rudd, SE Shand, CM Simmins, JJ McCollough, N Stewart, EM AF McMorran, A. W. Rudd, S. E. Shand, C. M. Simmins, J. J. McCollough, N. Stewart, E. M. GP IEEE TI Data Integration Challenges for Standards-Compliant Mobile Applications SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Asset management; Application virtualization; Virtual reality; Visualization; Standards; Data handling; Data visualization; CIM; Data integration; Big Data AB Modern mobile devices are capable of running sophisticated, network-enabled applications exploiting a variety of sensors on a single low-cost piece of hardware. The electrical industry can benefit from these new platforms to automate existing processes and provide engineers and field crew with access to large amounts of complex data in real-time, anywhere in the world. The development of a standards-based application decouples the mobile client application from a single vendor or existing enterprise system, but requires a complex data integration architecture to support the use and exploitation of large amounts of data spread across multiple existing systems. The integration with a mobile application introduces new challenges when dealing with remote devices where data network communications cannot be relied on, especially under storm conditions, and the devices themselves are at risk of being lost or stolen. Addressing these challenges offers the potential to improve data quality, enable access to accurate, up-to-date information in the field and ultimately save a utility time and money. C1 [McMorran, A. W.; Rudd, S. E.; Shand, C. M.] Open Grid Syst Ltd, Glasgow, Lanark, Scotland. [Simmins, J. J.] Elect Power Res Inst, Informat & Commun Technol Distribut Project, Knoxville, TN USA. [McCollough, N.] Elect Power Res Inst, Knoxville, TN USA. [Stewart, E. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP McMorran, AW (reprint author), Open Grid Syst Ltd, Glasgow, Lanark, Scotland. EM alan@opengrid.com; jsimmins@epri.com; estewart@lbl.gov NR 9 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900114 ER PT J AU Prabakar, K Rizy, DT Li, FX AF Prabakar, Kumaraguru Rizy, D. Tom Li, Fangxing GP IEEE TI A Study on the Effect of Distribution Circuit Loading on Air Conditioner Motor Stall using a Real Time Simulator SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE real time digital simulator; fault induced delayed voltage recovery; air conditioner motor stall; hardware-in-loop simulation; load composition AB It has been shown that high seasonal energy efficiency ratio (SEER) air conditioner compressor motors will stall during a voltage sag of 30 % or greater such as during a sub-transmission fault. When these motors stall, they draw two to three times their rated current and reactive power. The motor stall affects the entire power system beyond the duration of voltage drop of the fault resulting in a system-wide impact. This phenomenon is known as fault induced delayed voltage recovery (FIDVR) or slow voltage recovery (SVR). The FIDVR or SVR event is not only influenced by the air conditioner motor penetration but also by the voltage sensitivity of the load composition in the distribution system. In this study, the single-phase induction machine model that is available in the real time digital simulator (RTDS) is used to simulate the stall nature of these high SEER machines. This paper also addresses the effect of distribution system loads on FIDVR and analyzes the effect using RTDS. A group of the machine models are installed in a test power system along with constant impedance (Z), constant current (I), and constant power (P) load models to study the effect of these loads on the stall nature of the single phase induction machines. C1 [Prabakar, Kumaraguru; Li, Fangxing] Univ Tennessee, Knoxville, TN USA. [Rizy, D. Tom] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Prabakar, K (reprint author), Univ Tennessee, Knoxville, TN USA. EM kprabaka@utk.edu; rizydt@ornl.gov; fli6@utk.edu 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 BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900175 ER PT J AU Thomas, JJ Grijalva, S AF Thomas, James Jamal Grijalva, Santiago GP IEEE TI Increasing Transmission Capacity Utilization Using Power Flow Routers SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE Power System Control; Power System Economics; Power System Planning; Flexible AC Transmission Systems ID INVESTMENT; SYSTEMS AB Flexible AC Transmission Systems (FACTS) have been in use in power systems for some time. Small penetrations of FACTS have been limited to special applications. Investment into low-cost power electronics based power routers has the potential to allow power routers to play a more prominent role in power systems. Part of this role would be to serve as dynamically dispatchable control to further optimize a power system's state. Power routers' expanded role will add a new dimension to transmission expansion, due to the ability of the power router to dynamically change transfer capabilities of the transmission system. Building a transmission line will no longer be the only option for system planners looking to expand, because they will now be able to utilize available capacity in parallel branches by installing a power router. This paper will compare the economic benefit of adding power flow routers to building a transmission line as a means of transmission expansion. C1 [Thomas, James Jamal] Georgia Inst Technol, Elect & Comp Engn, Atlanta, GA 30332 USA. [Grijalva, Santiago] Natl Renewable Energy Lab, Power Syst Engn Ctr, Golden, CO USA. RP Thomas, JJ (reprint author), Georgia Inst Technol, Elect & Comp Engn, Atlanta, GA 30332 USA. EM jthomas304@gatech.edu; santiago.grijalva@nrel.gov NR 18 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900309 ER PT J AU Vyakaranam, B Fuller, J AF Vyakaranam, Bharat Fuller, Jason GP IEEE TI Detailed Modeling and Response of Demand Response Enabled Appliances SO 2014 IEEE PES T&D CONFERENCE AND EXPOSITION SE Transmission and Distribution Conference and Exposition LA English DT Proceedings Paper CT IEEE PES T and D Conference and Exposition CY APR 14-17, 2014 CL Chicago, IL SP IEEE, IEEE Power & Energy Soc DE DR enabled appliances; multi-state time variant; demand response; GridLAB-D AB Proper modeling of end use loads is very important in order to predict their behavior, and how they interact with the power system. This includes voltage and temperature dependencies, power system and load control functions, and the complex interactions that occur between devices in such an interconnected system. This paper develops multi-state time variant residential appliance models with demand response enabled capabilities in the GridLAB-DTM simulation environment. These models represent not only the baseline instantaneous power demand and energy consumption, but the control systems developed by GE Appliances to enable their appliances to respond to demand response signals and the change in behavior of the appliance in response to the signal. The DR enabled appliances are simulated to estimate the capability of smart appliances to reduce peak demand and energy consumption during grid events. C1 [Vyakaranam, Bharat; Fuller, Jason] Pacific NW Natl Lab, Energy Sci & Technol Div, Richland, WA 99352 USA. RP Vyakaranam, B (reprint author), Pacific NW Natl Lab, Energy Sci & Technol Div, Richland, WA 99352 USA. EM BharatGNVSR.Vyakaranam@pnnl.gov; Jason.Fuller@pnnl.gov RI Fuller, Jason/C-9951-2014 OI Fuller, Jason/0000-0002-0462-0093 NR 14 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-3656-4 J9 TRANS DISTRIB CONF PY 2014 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BE3AF UT WOS:000370376900264 ER PT S AU Vasdekis, AE Scott, EA Hubbell, JA Psaltis, D AF Vasdekis, Andreas E. Scott, Evan A. Hubbell, Jeffrey A. Psaltis, Demetri GP IEEE TI Vesicle Photonics in Biology with a Focus on Single Cell Analysis SO 2014 IEEE PHOTONICS CONFERENCE (IPC) SE IEEE Photonics Conference LA English DT Proceedings Paper CT 27th IEEE Photonics Conference (IPC) CY OCT 12-16, 2014 CL San Diego, CA SP IEEE C1 [Vasdekis, Andreas E.] Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999, Richland, WA 99352 USA. [Scott, Evan A.; Hubbell, Jeffrey A.; Psaltis, Demetri] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. RP Vasdekis, AE (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999, Richland, WA 99352 USA. EM andreas.vasdekis@pnnl.gov OI Vasdekis, Andreas/0000-0003-4315-1047 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 2374-0140 BN 978-1-4577-1504-4 J9 IEEE PHOTON CONF PY 2014 BP 3 EP 4 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BE4YN UT WOS:000372323200005 ER PT S AU Deri, RJ Bayramian, AJ Erlandson, AC Patra, S Dunne, AM Flowers, D Telford, S Fulkerson, S Schaffers, K AF Deri, R. J. Bayramian, A. J. Erlandson, A. C. Patra, S. Dunne, A. M. Flowers, D. Telford, S. Fulkerson, S. Schaffers, K. GP IEEE TI High-Power Diode Laser Arrays for Large Scientific Lasers and Inertial Fusion SO 2014 IEEE PHOTONICS CONFERENCE (IPC) SE IEEE Photonics Conference LA English DT Proceedings Paper CT 27th IEEE Photonics Conference (IPC) CY OCT 12-16, 2014 CL San Diego, CA SP IEEE ID ENERGY AB Several large scale laser applications require diode pumps for high efficiency and average power, but are sensitive to diode performance-cost tradeoffs. This paper describes approaches for addressing these issues in pulsed laser systems, using an example of inertial fusion energy drivers. C1 [Deri, R. J.; Bayramian, A. J.; Erlandson, A. C.; Patra, S.; Dunne, A. M.; Flowers, D.; Telford, S.; Fulkerson, S.; Schaffers, K.] Lawrence Livermore Natl Lab, 7000 East Ave,L-592, Livermore, CA 94550 USA. RP Deri, RJ (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-592, Livermore, CA 94550 USA. EM deri1@llnl.gov NR 13 TC 0 Z9 0 U1 1 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2374-0140 BN 978-1-4577-1504-4 J9 IEEE PHOTON CONF PY 2014 BP 236 EP 237 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BE4YN UT WOS:000372323200116 ER PT S AU Chow, WW Jahnke, F Gies, C AF Chow, W. W. Jahnke, F. Gies, C. GP IEEE TI Finding threshold in a thresholdless laser SO 2014 IEEE PHOTONICS CONFERENCE (IPC) SE IEEE Photonics Conference LA English DT Proceedings Paper CT 27th IEEE Photonics Conference (IPC) CY OCT 12-16, 2014 CL San Diego, CA SP IEEE AB Cavity-quantum-electrodynamics is applied to address the questions of criteria and nature of lasing in devices where the intensity jump customarily used to indicate lasing threshold is missing. C1 [Chow, W. W.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Jahnke, F.; Gies, C.] Univ Bremen, Inst Theoret Phys, D-28334 Bremen, Germany. RP Chow, WW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM wwchow@sandia.gov; jahnke@itp.uni-bremen.de; gies@itp.uni-bremen.de NR 1 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2374-0140 BN 978-1-4577-1504-4 J9 IEEE PHOTON CONF PY 2014 BP 254 EP 255 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BE4YN UT WOS:000372323200125 ER PT S AU Campione, S Benz, A Wolf, O Klem, JF Capolino, F Sinclair, MB Brener, I AF Campione, Salvatore Benz, Alexander Wolf, Omri Klem, John F. Capolino, Filippo Sinclair, Michael B. Brener, Igal GP IEEE TI Metamaterials Strongly Coupled to Intersubband Transitions: Circuit Model and Second Order Nonlinear Processes SO 2014 IEEE PHOTONICS CONFERENCE (IPC) SE IEEE Photonics Conference LA English DT Proceedings Paper CT 27th IEEE Photonics Conference (IPC) CY OCT 12-16, 2014 CL San Diego, CA SP IEEE AB We present an electrodynamic model of strongly coupled metamaterial/ intersubband-transition systems that can be used to predict and maximize Rabi splittings. This model can also be used to optimize metamaterial structures that enhance second-order nonlinear processes. C1 [Campione, Salvatore; Benz, Alexander; Wolf, Omri; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. [Campione, Salvatore; Benz, Alexander; Wolf, Omri; Klem, John F.; Sinclair, Michael B.; Brener, Igal] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Capolino, Filippo] Univ Calif Irvine, Dept Elect Engn & Comp Sci, Irvine, CA 92697 USA. RP Campione, S (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM sncampi@sandia.gov NR 8 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2374-0140 BN 978-1-4577-1504-4 J9 IEEE PHOTON CONF PY 2014 BP 320 EP 321 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BE4YN UT WOS:000372323200156 ER PT S AU Branz, HM AF Branz, Howard M. GP IEEE TI Optics and Photonics for Solar Energy and Buildings at the Advanced Research Projects Agency - Energy (ARPA-E) SO 2014 IEEE PHOTONICS CONFERENCE (IPC) SE IEEE Photonics Conference LA English DT Proceedings Paper CT 27th IEEE Photonics Conference (IPC) CY OCT 12-16, 2014 CL San Diego, CA SP IEEE AB The Advanced Research Projects Agency - Energy (ARPA-E) of the U.S. Department of Energy funds a variety of technologies utilizing advanced optics and photonics to split the solar spectrum, redirect and concentrate photons to energy conversion devices, and also to control cooling infra-red (IR) emissions, daylighting and solar heat gain in buildings. ARPA-E recently announced awards totaling more than $30M in the Full-spectrum Optimized Conversion and Utilization of Sunlight (FOCUS) Program) to develop advanced solar conversion technologies that combine advanced optics technologies with advances in photovoltaic and thermal concentrated solar power (CSP) based technologies. The goal of FOCUS is to develop disruptive new technologies that optimally exploit the full solar spectrum and also significantly reduce the cost of solar energy when the sun is not shining. C1 [Branz, Howard M.] US DOE, Adv Res Projects Agcy Energy ARPA E, 1000 Independence Ave SW, Washington, DC 20585 USA. RP Branz, HM (reprint author), US DOE, Adv Res Projects Agcy Energy ARPA E, 1000 Independence Ave SW, Washington, DC 20585 USA. EM howard.branz@hq.doe.gov NR 4 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2374-0140 BN 978-1-4577-1504-4 J9 IEEE PHOTON CONF PY 2014 BP 439 EP 440 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BE4YN UT WOS:000372323200210 ER PT S AU Wolf, O Campione, S Benz, A Liu, S Klem, JF Sinclair, MB Brener, I AF Wolf, Omri Campione, Salvatore Benz, Alexander Liu, Sheng Klem, John F. Sinclair, Michael B. Brener, Igal GP IEEE TI Second Harmonic Generation in Quantum Wells Enhanced via Coupling to Metamaterials SO 2014 IEEE PHOTONICS CONFERENCE (IPC) SE IEEE Photonics Conference LA English DT Proceedings Paper CT 27th IEEE Photonics Conference (IPC) CY OCT 12-16, 2014 CL San Diego, CA SP IEEE AB We experimentally demonstrate efficient second harmonic generation using a metamaterial-coupled III-V heterostructure at mid-infrared wavelengths. Our approach exploits the large second-order nonlinear susceptibilities of intersubband transitions and the near-field enhancement and polarization manipulation flexibility offered by metamaterial resonators. C1 [Wolf, Omri; Campione, Salvatore; Benz, Alexander; Liu, Sheng; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. [Wolf, Omri; Campione, Salvatore; Benz, Alexander; Liu, Sheng; Klem, John F.; Sinclair, Michael B.; Brener, Igal] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wolf, O (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM owolf@sandia.gov NR 9 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2374-0140 BN 978-1-4577-1504-4 J9 IEEE PHOTON CONF PY 2014 BP 629 EP 630 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BE4YN UT WOS:000372323200299 ER PT S AU Aguinaldo, R Grant, H DeRose, C Trotter, D Pomerene, A Starbuck, A Lentine, A Mookherjea, S AF Aguinaldo, R. Grant, H. DeRose, C. Trotter, D. Pomerene, A. Starbuck, A. Lentine, A. Mookherjea, S. GP IEEE TI Silicon photonic integrated components for add, drop, and VOA in a 4-channel data-center network SO 2014 IEEE PHOTONICS CONFERENCE (IPC) SE IEEE Photonics Conference LA English DT Proceedings Paper CT 27th IEEE Photonics Conference (IPC) CY OCT 12-16, 2014 CL San Diego, CA SP IEEE AB We design and demonstrate a compact silicon photonic chip (1.30 mm x 0.52 mm) that integrates electrically-tunable 4-channel add, drop and power control functionalities for a 24x10 Gbit/s WDM data-center network with low power consumption. C1 [Aguinaldo, R.; Grant, H.; Mookherjea, S.] Univ Calif San Diego, Mail Code 0407, La Jolla, CA 92093 USA. [DeRose, C.; Trotter, D.; Pomerene, A.; Starbuck, A.; Lentine, A.] Sandia Natl Labs, Appl Photon Microsyst, Albuquerque, NM 87185 USA. RP Mookherjea, S (reprint author), Univ Calif San Diego, Mail Code 0407, La Jolla, CA 92093 USA. EM smookherjea@ucsd.edu NR 5 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2374-0140 BN 978-1-4577-1504-4 J9 IEEE PHOTON CONF PY 2014 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BE4YN UT WOS:000372323200003 ER PT S AU Richardson, SKM Bhethanabotla, VR Sankaranarayanan, SKRS AF Richardson, Sina Koochakzadeh Mandek Bhethanabotla, Venkat R. Sankaranarayanan, Subramanian K. R. S. GP IEEE TI Design of SH-SAW Phononic devices for Highly sensitive and Ultra-low Power Sensing Applications SO 2014 IEEE SENSORS SE IEEE Sensors LA English DT Proceedings Paper CT 13th IEEE Sensors Conference CY NOV 02-05, 2014 CL Valencia, SPAIN SP IEEE Sensors Council DE SAW devices; Phononics; ST-X Quartz; Finite element method ID ACOUSTIC-WAVE SENSOR AB SAW biosensors based on a shear horizontal wave have been developed to detect breast cancer markers, E. Coli bacteria, and in DNA hybridization studies. A current trend in these biosensing systems is to move away from clinical laboratories where expensive bulky equipment and highly skilled personnel are needed and move to point-of-care-testing (POCT). Monitoring a physiological signal such as blood glucose levels in a patient with a wireless sensor provides a good example. A major challenge to the incorporation of wireless sensors for biosensing/medical applications is power consumption. Inspired by the concept of phononic crystals (PCs), we incorporate microcavities in the form of periodic inclusions in a SAW devices made of 90 degrees ST-X Quartz and 36 degrees YX LiTaO3. We utilize a three-dimensional (3-D) finite element model (FEM) to compare insertion loss (IL) and mass sensitivity of SAW sensors having microcavities and show that significant improvements in sensitivity and power consumption can be obtained. The resulting metamaterial has properties different than those of the host material; in particular, density and elastic properties. To harness the potential of PCs within a SAW sensing device, we have systematically evaluated properties such as size, periodicity and nature of the filling materials because these affect the center frequency, power consumption, width of the bandgap, and sensor sensitivity among other things. Our simulation and experimental results suggest the possibility of tuning the acoustic band-gap and acoustic confinement to realize novel SAW and SH-SAW phononic sensors having low insertion loss and high sensitivity. C1 [Richardson, Sina Koochakzadeh Mandek; Bhethanabotla, Venkat R.] Univ S Florida, Dept Chem & Biomed Engn, Sensors Res Lab, Tampa, FL 33620 USA. [Sankaranarayanan, Subramanian K. R. S.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60459 USA. RP Richardson, SKM (reprint author), Univ S Florida, Dept Chem & Biomed Engn, Sensors Res Lab, Tampa, FL 33620 USA. EM mbrichar@mail.usf.edu; bhethana@usf.edu; skrssank@anl.gov FU U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Use of the Center for Nanoscale Materials was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 10 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1930-0395 BN 978-1-4799-0161-6 J9 IEEE SENSOR PY 2014 PG 4 WC Engineering, Electrical & Electronic; Remote Sensing SC Engineering; Remote Sensing GA BG9AM UT WOS:000392916100052 ER PT J AU Ben Aissa, A Abercrombie, RK Sheldon, FT Mili, A AF Ben Aissa, Anis Abercrombie, Robert K. Sheldon, Frederick T. Mili, Ali GP IEEE TI Quantifying the Impact of Unavailability in Cyber-Physical Environments SO 2014 IEEE SYMPOSIUM ON COMPUTATIONAL INTELLIGENCE IN CYBER SECURITY (CICS) LA English DT Proceedings Paper CT IEEE Symposium on Computational Intelligence in Cyber Security CY DEC 09-12, 2014 CL Orlando, FL SP IEEE, IEEE Computat Intelligence Soc DE Availability; Security measures; Dependability; Security requirements for control systems; Threats; Vulnerabilities and Risk ID RISK-ASSESSMENT; SECURITY; SCADA; NETWORKS AB The Supervisory Control and Data Acquisition (SCADA) system discussed in this work manages a distributed control network for the Tunisian Electric & Gas Utility. The network is dispersed over a large geographic area that monitors and controls the flow of electricity/gas from both remote and centralized locations. The availability of the SCADA system in this context is critical to ensuring the uninterrupted delivery of energy, including safety, security, continuity of operations and revenue. Such SCADA systems are the backbone of national critical cyber-physical infrastructures. Herein, we propose adapting the Mean Failure Cost (MFC) metric for quantifying the cost of unavailability. This new metric combines the classic availability formulation with MFC. The resulting metric, so-called Econometric Availability (EA), offers a computational basis to evaluate a system in terms of the gain/loss ($/hour of operation) that affects each stakeholder due to unavailability. C1 [Ben Aissa, Anis] Univ Tunis El Manar, Tunis, Tunisia. [Abercrombie, Robert K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Sheldon, Frederick T.] Univ Memphis, Dept Comp Sci, Memphis, TN 38152 USA. [Mili, Ali] New Jersey Inst Technol, Coll Comp Sci, Newark, NJ 07102 USA. RP Ben Aissa, A (reprint author), Univ Tunis El Manar, Tunis, Tunisia. EM anis.benaissa@enit.rnu.tn; abercrombier@ornl.gov; f.sheldon@memphis.edu; mili@cis.njit.edu NR 39 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-4521-4 PY 2014 BP 26 EP 33 PG 8 WC Computer Science, Artificial Intelligence SC Computer Science GA BF2MQ UT WOS:000380481000004 ER PT J AU Solaimani, M Iftekhar, M Khan, L Thuraisingham, B Ingram, JB AF Solaimani, Mohiuddin Iftekhar, Mohammed Khan, Latifur Thuraisingham, Bhavani Ingram, Joey Burton GP IEEE TI Spark-based Anomaly Detection Over Multi-source VMware Performance Data In Real-time SO 2014 IEEE SYMPOSIUM ON COMPUTATIONAL INTELLIGENCE IN CYBER SECURITY (CICS) LA English DT Proceedings Paper CT IEEE Symposium on Computational Intelligence in Cyber Security CY DEC 09-12, 2014 CL Orlando, FL SP IEEE, IEEE Computat Intelligence Soc DE Anomaly detection; Real-time anomaly detection; Incremental clustering; Resource scheduling; Data center AB Anomaly detection refers to identifying the patterns in data that deviate from expected behavior. These non-conforming patterns are often termed as outliers, malwares, anomalies or exceptions in different application domains. This paper presents a novel, generic real-time distributed anomaly detection framework for multi-source stream data. As a case study, we have decided to detect anomaly for multi-source VMware-based cloud data center. The framework monitors VMware performance stream data (e.g., CPU load, memory usage, etc.) continuously. It collects these data simultaneously from all the VMwares connected to the network. It notifies the resource manager to reschedule its resources dynamically when it identifies any abnormal behavior of its collected data. We have used Apache Spark, a distributed framework for processing performance stream data and making prediction without any delay. Spark is chosen over a traditional distributed framework (e.g., Hadoop and MapReduce, Mahout, etc.) that is not ideal for stream data processing. We have implemented a flat incremental clustering algorithm to model the benign characteristics in our distributed Spark based framework. We have compared the average processing latency of a tuple during clustering and prediction in Spark with Storm, another distributed framework for stream data processing. We experimentally find that Spark processes a tuple much quicker than Storm on average. C1 [Solaimani, Mohiuddin; Iftekhar, Mohammed; Khan, Latifur; Thuraisingham, Bhavani] Univ Texas Dallas, Dept Comp Sci, Richardson, TX 75083 USA. [Ingram, Joey Burton] Sandia Natl Labs, Livermore, CA USA. RP Solaimani, M (reprint author), Univ Texas Dallas, Dept Comp Sci, Richardson, TX 75083 USA. EM mxs121731@utdallas.edu; mxi110930@utdallas.edu; lkhan@utdallas.edu; bhavani.thuraisingham@utdallas.edu; jbingra@sandia.gov NR 15 TC 2 Z9 2 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-4521-4 PY 2014 BP 66 EP 73 PG 8 WC Computer Science, Artificial Intelligence SC Computer Science GA BF2MQ UT WOS:000380481000009 ER PT S AU Castello, CC LaClair, TJ Maxey, LC AF Castello, Charles C. LaClair, Tim J. Maxey, L. Curt GP IEEE TI Control Strategies for Electric Vehicle (EV) Charging Using Renewables and Local Storage SO 2014 IEEE TRANSPORTATION ELECTRIFICATION CONFERENCE AND EXPO (ITEC) SE International Conference on Parallel Processing Workshops LA English DT Proceedings Paper CT IEEE Transportation Electrification Conference and Expo (ITEC) CY JUN 15-18, 2014 CL Dearborn, MI SP IEEE, IEEE Power Elect Soc, IEEE Ind Applicat Soc, IEEE Power & Energy Soc AB The increase of electric vehicle (EV) and plug-in hybrid-electric vehicle (PHEV) adoption creates a need for more EV supply equipment (EVSE) infrastructure (i.e., EV chargers). The impact of EVSE installations could be significant due to limitations in the electric grid and potential demand charges for residential and commercial customers. The use of renewables (e.g., solar) and local storage (e.g., battery bank) can mitigate loads caused by EVSE on the electric grid. This would eliminate costly upgrades needed by utilities and decrease demand charges for consumers. This paper aims to explore control systems that mitigate the impact of EVSE on the electric grid using solar energy and battery banks. Three control systems are investigated and compared in this study. The first control system discharges the battery bank at a constant rate during specific times of the day based on historical data. The second discharges the battery bank based on the number of EVs charging (linear) and the amount of solar energy being generated. The third discharges the battery bank based on a sigmoid function (non-linear) in response to the number of EVs charging, and also takes into consideration the amount of renewables being generated. The first and second control systems recharge the battery bank at night when demand is lowest. The third recharges the battery bank at night and during times of the day when there is an excess of solar. Experiments are conducted using data from a private site that has 25 solar-assisted charging stations at Oak Ridge National Laboratory (ORNL) in Oak Ridge, TN and 4 at a public site in Nashville, TN. Results indicate the third control system having better performance, negating up to 71% of EVSE load, compared with the second control system (up to 61%) and the first control system (up to 58%). C1 [Castello, Charles C.; LaClair, Tim J.; Maxey, L. Curt] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Castello, CC (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. EM castellocc@ornl.gov; laclairtj@ornl.gov; maxeylc@ornl.gov FU U.S. Department of Energy's (DOE) American Recovery and Reinvestment Act (ARRA) [DE-EE0002194]; U.S. DOE [DE-AC05-00OR22725] FX This work was supported by the U.S. Department of Energy's (DOE) American Recovery and Reinvestment Act (ARRA) under Grant DE-EE0002194. Oak Ridge National Laboratory (ORNL) is managed by UT-Battelle, LLC, for the U.S. DOE under contract DE-AC05-00OR22725. The authors would like to thank project partners: State of Tennessee, Nissan, Tennessee Valley Authority (TVA), and Electric Power Research Institute (EPRI). The authors would also like to thank Jay Harrison (State of Tennessee), Stacey Crain (Nissan), Andrew Frye (TVA), John Halliwell (EPRI), Michael Starke (ORNL), and members of The EV Project team at ORNL (Melissa Lapsa, Randy Overbey, Norm Durfee, and Rick Goeltz) for their encouragement and support. NR 10 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1530-2016 BN 978-1-4799-5615-9 J9 INT CONF PARA PROC PY 2014 PG 7 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BG9MA UT WOS:000393414900084 ER PT S AU Castello, CC LaClair, TJ Maxey, LC AF Castello, Charles C. LaClair, Tim J. Maxey, L. Curt GP IEEE TI Control Strategies for Electric Vehicle (EV) Charging Using Renewables and Local Storage SO 2014 IEEE TRANSPORTATION ELECTRIFICATION CONFERENCE AND EXPO (ITEC) SE IEEE Transportation Electrification Conference and Expo LA English DT Proceedings Paper CT IEEE Transportation Electrification Conference and Expo (ITEC) CY JUN 15-18, 2014 CL Dearborn, MI SP IEEE, IEEE Power Elect Soc, IEEE Ind Applicat Soc, IEEE Power & Energy Soc AB The increase of electric vehicle (EV) and plug-in hybrid-electric vehicle (PHEV) adoption creates a need for more EV supply equipment (EVSE) infrastructure (i.e., EV chargers). The impact of EVSE installations could be significant due to limitations in the electric grid and potential demand charges for residential and commercial customers. The use of renewables (e.g., solar) and local storage (e.g., battery bank) can mitigate loads caused by EVSE on the electric grid. This would eliminate costly upgrades needed by utilities and decrease demand charges for consumers. This paper aims to explore control systems that mitigate the impact of EVSE on the electric grid using solar energy and battery banks. Three control systems are investigated and compared in this study. The first control system discharges the battery bank at a constant rate during specific times of the day based on historical data. The second discharges the battery bank based on the number of EVs charging (linear) and the amount of solar energy being generated. The third discharges the battery bank based on a sigmoid function (non-linear) in response to the number of EVs charging, and also takes into consideration the amount of renewables being generated. The first and second control systems recharge the battery bank at night when demand is lowest. The third recharges the battery bank at night and during times of the day when there is an excess of solar. Experiments are conducted using data from a private site that has 25 solar-assisted charging stations at Oak Ridge National Laboratory (ORNL) in Oak Ridge, TN and 4 at a public site in Nashville, TN. Results indicate the third control system having better performance, negating up to 71% of EVSE load, compared with the second control system (up to 61%) and the first control system (up to 58%). C1 [Castello, Charles C.; LaClair, Tim J.; Maxey, L. Curt] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Castello, CC (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. EM castellocc@ornl.gov; laclairtj@ornl.gov; maxeylc@ornl.gov FU U.S. Department of Energy' s (DOE) American Recovery and Reinvestment Act (ARRA) [DE-EE0002194]; U.S. DOE [DE-AC05-00OR22725] FX This work was supported by the U.S. Department of Energy' s (DOE) American Recovery and Reinvestment Act (ARRA) under Grant DE-EE0002194. Oak Ridge National Laboratory (ORNL) is managed by UT-Battelle, LLC, for the U.S. DOE under contract DE-AC05-00OR22725. The authors would like to thank project partners: State of Tennessee, Nissan, Tennessee Valley Authority (TVA), and Electric Power Research Institute (EPRI). The authors would also like to thank Jay Harrison (State of Tennessee), Stacey Crain (Nissan), Andrew Frye (TVA), John Halliwell (EPRI), Michael Starke (ORNL), and members of The EV Project team at ORNL (Melissa Lapsa, Randy Overbey, Norm Durfee, and Rick Goeltz) for their encouragement and support. NR 10 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2377-5483 BN 978-1-4799-2262-8 J9 IEEE TRANSP ELECT C PY 2014 PG 7 WC Engineering, Electrical & Electronic; Transportation Science & Technology SC Engineering; Transportation GA BG9LB UT WOS:000393373900085 ER PT S AU Gong, XZ Xiong, R Mi, CC AF Gong, Xianzhi Xiong, Rui Mi, Chunting Chris GP IEEE TI A Data-Driven Bias Correction Method Based Lithium-ion Battery Modeling Approach for Electric Vehicles Application SO 2014 IEEE TRANSPORTATION ELECTRIFICATION CONFERENCE AND EXPO (ITEC) SE International Conference on Parallel Processing Workshops LA English DT Proceedings Paper CT IEEE Transportation Electrification Conference and Expo (ITEC) CY JUN 15-18, 2014 CL Dearborn, MI SP IEEE, IEEE Power Elect Soc, IEEE Ind Applicat Soc, IEEE Power & Energy Soc ID INCREMENTAL CAPACITY ANALYSIS; STATE; CELLS; FADE AB Due to the inconsistency and varied characteristics of lithium-ion battery cells, the battery pack modeling remains a challenging problem. To model the operation behaviors of each cell in the battery pack, considerable work effort and computation time is needed. This paper proposes a data-driven bias correction based lithium-ion battery modeling method, which can significantly reduce the computation work and remain good model accuracy. C1 [Gong, Xianzhi; Xiong, Rui; Mi, Chunting Chris] Univ Michigan, DOE GATE Ctr Elect Drive Transportat, Dept Elect & Comp Engn, Dearborn, MI 48128 USA. [Xiong, Rui] Beijing Inst Technol, Sch Mech Engn, Nat Engn Lab Elect Vehicles, Beijing 100081, Peoples R China. RP Mi, CC (reprint author), Univ Michigan, DOE GATE Ctr Elect Drive Transportat, Dept Elect & Comp Engn, Dearborn, MI 48128 USA. EM chrismi@umich.edu FU US DOE [DEEE0002720, DE-EE0005565]; US Department of Energy Graduate Automotive Technology Education Grant; Higher education innovation intelligence plan ("111"plan) of China; Graduate School of Beijing Institute of Technology FX This work is partially supported by the US DOE Grant DEEE0002720 and DE-EE0005565, US Department of Energy Graduate Automotive Technology Education Grant, the Higher education innovation intelligence plan ("111"plan) of China and Graduate School of Beijing Institute of Technology. NR 11 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1530-2016 BN 978-1-4799-5615-9 J9 INT CONF PARA PROC PY 2014 PG 6 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BG9MA UT WOS:000393414900057 ER PT S AU Gong, XZ Xiong, R Mi, CC AF Gong, Xianzhi Xiong, Rui Mi, Chunting Chris GP IEEE TI A Data-Driven Bias Correction Method Based Lithium-ion Battery Modeling Approach for Electric Vehicles Application SO 2014 IEEE TRANSPORTATION ELECTRIFICATION CONFERENCE AND EXPO (ITEC) SE IEEE Transportation Electrification Conference and Expo LA English DT Proceedings Paper CT IEEE Transportation Electrification Conference and Expo (ITEC) CY JUN 15-18, 2014 CL Dearborn, MI SP IEEE, IEEE Power Elect Soc, IEEE Ind Applicat Soc, IEEE Power & Energy Soc ID INCREMENTAL CAPACITY ANALYSIS; STATE; CELLS; FADE AB Due to the inconsistency and varied characteristics of lithium-ion battery cells, the battery pack modeling remains a challenging problem. To model the operation behaviors of each cell in the battery pack, considerable work effort and computation time is needed. This paper proposes a data-driven bias correction based lithium-ion battery modeling method, which can significantly reduce the computation work and remain good model accuracy. C1 [Gong, Xianzhi; Xiong, Rui; Mi, Chunting Chris] Univ Michigan, Dept Elect & Comp Engn, DOE GATE Ctr Elect Drive Transportat, Dearborn, MI 48128 USA. [Xiong, Rui] Beijing Inst Technol, Sch Mech Engn, Natl Engn Lab Elect Vehicles, Beijing 100081, Peoples R China. RP Mi, CC (reprint author), Univ Michigan, Dept Elect & Comp Engn, DOE GATE Ctr Elect Drive Transportat, Dearborn, MI 48128 USA. EM chrismi@umich.edu FU US DOE Grant [DEEE0002720, DE-EE0005565]; US Department of Energy Graduate Automotive Technology Education Grant; Higher education innovation intelligence plan ("111"plan) of China; Graduate School of Beijing Institute of Technology FX This work is partially supported by the US DOE Grant DEEE0002720 and DE-EE0005565, US Department of Energy Graduate Automotive Technology Education Grant, the Higher education innovation intelligence plan ("111"plan) of China and Graduate School of Beijing Institute of Technology. NR 11 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2377-5483 BN 978-1-4799-2262-8 J9 IEEE TRANSP ELECT C PY 2014 PG 6 WC Engineering, Electrical & Electronic; Transportation Science & Technology SC Engineering; Transportation GA BG9LB UT WOS:000393373900057 ER PT S AU Shidore, N Kim, N Vijayagopal, R Lee, D Rousseau, A Kwon, J Honel, B Haggard, E AF Shidore, Neeraj Kim, Namdoo Vijayagopal, Ram Lee, Daehung Rousseau, Aymeric Kwon, Jason Honel, Benoit Haggard, Eric GP IEEE TI Battery in the Loop: Battery Evaluation in a Systems Context SO 2014 IEEE TRANSPORTATION ELECTRIFICATION CONFERENCE AND EXPO (ITEC) SE International Conference on Parallel Processing Workshops LA English DT Proceedings Paper CT IEEE Transportation Electrification Conference and Expo (ITEC) CY JUN 15-18, 2014 CL Dearborn, MI SP IEEE, IEEE Power Elect Soc, IEEE Ind Applicat Soc, IEEE Power & Energy Soc AB System simulation and hardware component in the loop are key steps in the model-based system engineering (MBSE) process that seeks to shorten the development time of advanced powertrain technologies. Battery Component in the Loop (BCIL), also commonly abbreviated as Battery in the Loop (BIL), is an important step in the evaluation of advanced prototype batteries for electrified vehicles. This paper discusses the possible experiments that can be performed with BIL in order to evaluate the battery in a vehicle systems context (battery focused), and to evaluate the vehicle-level impact of different battery scenarios (vehicle focused). The paper then details the numerous steps necessary in the setup of BIL, including system simulation and virtual vehicle development, hardware setup, closed loop control development, and actual battery evaluation in a virtual vehicle environment. BIL was used to evaluate a prototype 48-V battery developed by Samsung SDI. The virtual vehicle was developed in Autonomie, Argonne National Laboratory's vehicle system simulation software. A mean value engine model developed in AMESim was integrated in the virtual vehicle model and targeted to a dSPACE system for BIL evaluation of the real battery pack. The system evaluation of the Samsung SDI battery will be used to describe the BCIL process throughout the paper. C1 [Shidore, Neeraj; Kim, Namdoo; Vijayagopal, Ram; Lee, Daehung; Rousseau, Aymeric] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Kwon, Jason] Samsung SDI, Seoul, South Korea. [Honel, Benoit; Haggard, Eric] LMS Int, Leuven, Belgium. RP Shidore, N (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM nshidore@anl.gov NR 14 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1530-2016 BN 978-1-4799-5615-9 J9 INT CONF PARA PROC PY 2014 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BG9MA UT WOS:000393414900114 ER PT S AU Shidore, N Kim, N Vijayagopal, R Lee, D Rousseau, A Kwon, J Honel, B Haggard, E AF Shidore, Neeraj Kim, Namdoo Vijayagopal, Ram Lee, Daehung Rousseau, Aymeric Kwon, Jason Honel, Benoit Haggard, Eric GP IEEE TI Battery in the Loop: Battery Evaluation in a Systems Context SO 2014 IEEE TRANSPORTATION ELECTRIFICATION CONFERENCE AND EXPO (ITEC) SE IEEE Transportation Electrification Conference and Expo LA English DT Proceedings Paper CT IEEE Transportation Electrification Conference and Expo (ITEC) CY JUN 15-18, 2014 CL Dearborn, MI SP IEEE, IEEE Power Elect Soc, IEEE Ind Applicat Soc, IEEE Power & Energy Soc AB System simulation and hardware component in the loop are key steps in the model-based system engineering (MBSE) process that seeks to shorten the development time of advanced powertrain technologies. Battery Component in the Loop (BCIL), also commonly abbreviated as Battery in the Loop (BIL), is an important step in the evaluation of advanced prototype batteries for electrified vehicles. This paper discusses the possible experiments that can be performed with BIL in order to evaluate the battery in a vehicle systems context (battery focused), and to evaluate the vehicle-level impact of different battery scenarios (vehicle focused). The paper then details the numerous steps necessary in the setup of BIL, including system simulation and virtual vehicle development, hardware setup, closed loop control development, and actual battery evaluation in a virtual vehicle environment. BIL was used to evaluate a prototype 48-V battery developed by Samsung SDI. The virtual vehicle was developed in Autonomie, Argonne National Laboratory's vehicle system simulation software. A mean value engine model developed in AMESim was integrated in the virtual vehicle model and targeted to a dSPACE system for BIL evaluation of the real battery pack. The system evaluation of the Samsung SDI battery will be used to describe the BCIL process throughout the paper. C1 [Shidore, Neeraj; Kim, Namdoo; Vijayagopal, Ram; Lee, Daehung; Rousseau, Aymeric] Argonne Natl Lab, Argonne, IL 60439 USA. [Kwon, Jason] Samsung SDI, Seoul, South Korea. [Honel, Benoit; Haggard, Eric] LMS Int, Laredo, TX USA. RP Shidore, N (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. EM nshidore@anl.gov NR 14 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2377-5483 BN 978-1-4799-2262-8 J9 IEEE TRANSP ELECT C PY 2014 PG 9 WC Engineering, Electrical & Electronic; Transportation Science & Technology SC Engineering; Transportation GA BG9LB UT WOS:000393373900115 ER PT S AU Song, BM Wang, J AF Song, Byeong M. Wang, Ju GP IEEE TI Design Analysis and Improvement of an IGBT Gate Drive Circuit for Magnet Power Supplies Using a Physics-Based Circuit Model SO 2014 IEEE TRANSPORTATION ELECTRIFICATION CONFERENCE AND EXPO (ITEC) SE International Conference on Parallel Processing Workshops LA English DT Proceedings Paper CT IEEE Transportation Electrification Conference and Expo (ITEC) CY JUN 15-18, 2014 CL Dearborn, MI SP IEEE, IEEE Power Elect Soc, IEEE Ind Applicat Soc, IEEE Power & Energy Soc AB This paper presents the design analysis and improvement of an Insulated Gate Bipolar Transistor (IGBT) gate drive circuit for the magnet power supplies of accelerator systems. By exploring the effects of the gate driving current and resistance, a low noise gate driver was developed and evaluated. The dv/dt and di/dt values that affect voltage and current spikes are modeled through the physics-based circuit model. With the improvement of a gate driver, the power supply achieved 87% efficiency at a load current of 460A with 20kHz switching, resulting in a 60% reduction of turn-off switching noise. For effective validation, the proposed gate drive circuit was simulated through the physics-based circuit model, and implemented and tested*. C1 [Song, Byeong M.; Wang, Ju] Argonne Natl Lab, Adv Photon Source, Accelerator Syst Div, Argonne, IL 60439 USA. RP Song, BM (reprint author), Argonne Natl Lab, Adv Photon Source, Accelerator Syst Div, Argonne, IL 60439 USA. EM bsong@aps.anl.gov FU U.S. Department of Energy, Basic Energy Sciences, Office of Science [DE-AC02-06CH11357] FX This work is supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under contract #DE-AC02-06CH11357. NR 11 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1530-2016 BN 978-1-4799-5615-9 J9 INT CONF PARA PROC PY 2014 PG 6 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BG9MA UT WOS:000393414900091 ER PT S AU Song, BM Wang, J AF Song, Byeong M. Wang, Ju GP IEEE TI Design Analysis and Improvement of an IGBT Gate Drive Circuit for Magnet Power Supplies Using a Physics-Based Circuit Model SO 2014 IEEE TRANSPORTATION ELECTRIFICATION CONFERENCE AND EXPO (ITEC) SE IEEE Transportation Electrification Conference and Expo LA English DT Proceedings Paper CT IEEE Transportation Electrification Conference and Expo (ITEC) CY JUN 15-18, 2014 CL Dearborn, MI SP IEEE, IEEE Power Elect Soc, IEEE Ind Applicat Soc, IEEE Power & Energy Soc AB This paper presents the design analysis and improvement of an Insulated Gate Bipolar Transistor (IGBT) gate drive circuit for the magnet power supplies of accelerator systems. By exploring the effects of the gate driving current and resistance, a low noise gate driver was developed and evaluated. The dv/dt and di/dt values that affect voltage and current spikes are modeled through the physics-based circuit model. With the improvement of a gate driver, the power supply achieved 87% efficiency at a load current of 460A with 20kHz switching, resulting in a 60% reduction of turn-off switching noise. For effective validation, the proposed gate drive circuit was simulated through the physics-based circuit model, and implemented and tested*. C1 [Song, Byeong M.; Wang, Ju] Argonne Natl Lab, Accelerator Syst Div, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Song, BM (reprint author), Argonne Natl Lab, Accelerator Syst Div, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM bsong@aps.anl.gov FU U.S. Department of Energy, Basic Energy Sciences, Office of Science [DE-AC02-06CH11357] FX This work is supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under contract # DE-AC02-06CH11357. NR 11 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2377-5483 BN 978-1-4799-2262-8 J9 IEEE TRANSP ELECT C PY 2014 PG 6 WC Engineering, Electrical & Electronic; Transportation Science & Technology SC Engineering; Transportation GA BG9LB UT WOS:000393373900092 ER PT J AU Jeong, J Choi, J Lee, D Cha, SW Kim, N Park, YI AF Jeong, Jongryeol Choi, Jongdae Lee, Daeheung Cha, Suk Won Kim, Namwook Park, Yeong-il GP IEEE TI Development of PMP-based Power Management Strategy for a Series Hybrid Electric Bus SO 2014 IEEE VEHICLE POWER AND PROPULSION CONFERENCE (VPPC) LA English DT Proceedings Paper CT 2014 IEEE Vehicle Power and Propulsion Conference CY OCT 27-30, 2014 CL Coimbra, PORTUGAL SP VTS, INESC, UNIV DE COIMBRA, POLITECNICO DE COIMBRA, ISEC ENGENHARIA, IEEE Power Elect Soc, EPE, MEGEVH, Associacao Portuguesa do Velculo Elect, SEW EURODRIVE, OPAL RT, efacec DE Forward simulation; Plug-in hybrid elecric bus; Pontryagin's minimum principle; Power management strategy AB Plug-in hybrid electric vehicle (PHEV) has both characteristics of hybrid and electric vehicle. It is more important to operate PHEV appropriately to achieve better performance. In this study a power management strategy based on Pontryagin's minimum principle (PMP), an optimal control theory, for series plug-in hybrid electric bus is developed. For the proper application of the power management strategy, correlation between characteristic of driving cycle and control factor of the strategy is also analyzed. From forward simulation results, it is shown that the application of PMP-based power management strategy is effective to achieve efficient fuel economy and better battery maintenance. C1 [Jeong, Jongryeol; Choi, Jongdae; Lee, Daeheung; Cha, Suk Won] Seoul Natl Univ, Dept Mech & Aerosp Engn, Seoul, South Korea. [Kim, Namwook] Argonne Natl Lab, Div Energy Syst, Lemont, IL USA. [Park, Yeong-il] Seoul Natl Univ Sci & Technol, Sch Mech Design & Automat Engn, Seoul, South Korea. RP Jeong, J (reprint author), Seoul Natl Univ, Dept Mech & Aerosp Engn, Seoul, South Korea. EM dolsu10@snu.ac.kr; choijd88@snu.ac.kr; ideal02@snu.ac.kr; swcha@snu.ac.kr; nakim@anl.gov; yipark@seoultech.ac.kr NR 12 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6782-7 PY 2014 PG 4 WC Engineering, Electrical & Electronic; Transportation Science & Technology SC Engineering; Transportation GA BF3ZT UT WOS:000380610000052 ER PT J AU Karbowski, D Kim, N Rousseau, A AF Karbowski, Dominik Kim, Namwook Rousseau, Aymeric GP IEEE TI Route-Based Online Energy Management of a PHEV and Sensitivity to Trip Prediction SO 2014 IEEE VEHICLE POWER AND PROPULSION CONFERENCE (VPPC) LA English DT Proceedings Paper CT 2014 IEEE Vehicle Power and Propulsion Conference CY OCT 27-30, 2014 CL Coimbra, PORTUGAL SP VTS, INESC, UNIV DE COIMBRA, POLITECNICO DE COIMBRA, ISEC ENGENHARIA, IEEE Power Elect Soc, EPE, MEGEVH, Associacao Portuguesa do Velculo Elect, SEW EURODRIVE, OPAL RT, efacec DE energy mangement; optimization; PHEV; route prediction; Pontryagin Minimum Principle AB In this paper, we present a method of optimizing the energy management of a plug-in hybrid electric vehicle (PHEV) using GIS-assisted stochastic trip prediction. A process was developed to synthesize speed profiles through a combination of Markov chains and information from a geographical information system (GIS) about the future route. In a potential real-world scenario, the future trip (speed, grade, stops, etc.) can be estimated, but not deterministically known. The stochastic trip prediction process models such uncertainty. The route-based energy management presented in this paper uses the Pontryagin Minimum Principle (PMP). A PMP strategy was implemented in a Simulink controller for a model of Prius-like PHEV and compared to a baseline strategy using Autonomie, an automotive modeling environment. An itinerary was defined, and several speed profiles were synthesized. It was then possible to evaluate the sensitivity of PMP tuning to the speed profile, providing insights about the applicability of PMP control in real-world situations. C1 [Karbowski, Dominik; Kim, Namwook; Rousseau, Aymeric] Argonne Natl Lab, Ctr Transportat Res, Argonne, IL 60439 USA. RP Karbowski, D (reprint author), Argonne Natl Lab, Ctr Transportat Res, Argonne, IL 60439 USA. NR 9 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6782-7 PY 2014 PG 6 WC Engineering, Electrical & Electronic; Transportation Science & Technology SC Engineering; Transportation GA BF3ZT UT WOS:000380610000128 ER PT S AU Choi, S Bierma, M Choe, YR Zage, D AF Choi, Sung Bierma, Michael Choe, Yung Ryn Zage, David BE Garzia, F Thomas, G Pritchard, DA TI EMBERS: EpheMeral Biometrically Enhanced Real-time location System SO 2014 INTERNATIONAL CARNAHAN CONFERENCE ON SECURITY TECHNOLOGY (ICCST) SE International Carnahan Conference on Security Technology Proceedings LA English DT Proceedings Paper CT 48th Annual IEEE International Conference Carnahan on Security Technology (ICCST) CY OCT 13-16, 2014 CL Rome, ITALY SP Inst Elect & Elect Engineers, IEEE Aerosp & Elect Syst Soc Sect, Coll Engn, IEEE, Lexington Chapter, Natl Cent Univ, Chung Shan Inst Sci & Technol, European Acad Sci & Arts, Wessex Inst Technol DE Access control; authentication; biometrics; computer security; identification of persons; identity management systems AB In nuclear facilities, having efficient accountability of critical assets, personnel locations, and activities is essential for productive, safe, and secure operations. Such accountability tracked through standard manual procedures is highly inefficient and prone to human error. The ability to actively and autonomously monitor both personnel and critical assets can significantly enhance security and safety operations while removing significant levels of human reliability issues and reducing insider threat concerns. A Real-Time Location System (RTLS) encompasses several technologies that use wireless signals to determine the precise location of tagged critical assets or personnel. RTLS systems include tags that either transmit or receive signals at regular intervals, location sensors/beacons that receive/transmit signals, and a location appliance that collects and correlates the data. Combined with ephemeral biometrics (EB) to validate the live-state of a user, an ephemeral biometrically-enhanced RTLS (EMBERS) can eliminate time-consuming manual searches and audits by providing precise location data. If critical assets or people leave a defined secured area, EMBERS can automatically trigger an alert and function as an access control mechanism and/or ingress/egress monitoring tool. Three different EMBERS application scenarios for safety and security have been analyzed and the heuristic results of this study are outlined in this paper along with areas of technological improvements and innovations that can be made if EMBERS is to be used as safety and security tool. C1 [Choi, Sung; Bierma, Michael; Choe, Yung Ryn; Zage, David] Sandia Natl Labs, Livermore, CA 94550 USA. RP Choi, S (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM schoi@sandia.gov; mbierma@sandia.gov; yrchoe@sandia.gov; djzage@sandia.gov NR 8 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1071-6572 BN 978-1-4799-3532-1 J9 INT CARN CONF SECU PY 2014 PG 6 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BE2QO UT WOS:000369865000005 ER PT S AU Kao, G Lin, H Eames, B Haas, J Fisher, A Michalski, J Blount, J Hamlet, J Lee, E Gauthier, J Wyss, G Helinski, R Franklin, D Mclay, L AF Kao, Gio Lin, Han Eames, Brandon Haas, Jason Fisher, Alexis Michalski, John Blount, Jon Hamlet, Jason Lee, Erik Gauthier, John Wyss, Gregory Helinski, Ryan Franklin, Dustin Mclay, Laura BE Garzia, F Thomas, G Pritchard, DA TI Supply Chain Lifecycle Decision Analytics SO 2014 INTERNATIONAL CARNAHAN CONFERENCE ON SECURITY TECHNOLOGY (ICCST) SE International Carnahan Conference on Security Technology Proceedings LA English DT Proceedings Paper CT 48th Annual IEEE International Conference Carnahan on Security Technology (ICCST) CY OCT 13-16, 2014 CL Rome, ITALY SP Inst Elect & Elect Engineers, IEEE Aerosp & Elect Syst Soc Sect, Coll Engn, IEEE, Lexington Chapter, Natl Cent Univ, Chung Shan Inst Sci & Technol, European Acad Sci & Arts, Wessex Inst Technol DE Security; Integrity; Supply chain; Risk; Supply chain risk management AB The globalization of today's supply chains (e.g., information and communication technologies, military systems, etc.) has created an emerging security threat that could degrade the integrity and availability of sensitive and critical government data, control systems, and infrastructures. Commercial-off-the-shelf (COTS) and even government-off-the-self (GOTS) products often are designed, developed, and manufactured overseas. Counterfeit items, from individual chips to entire systems, have been found in commercial and government sectors. Supply chain attacks can be initiated at any point during the product or system lifecycle, and can have detrimental effects to mission success. To date, there is a lack of analytics and decision support tools used to analyze supply chain security holistically, and to perform tradeoff analyses to determine how to invest in or deploy possible mitigation options for supply chain security such that the return on investment is optimal with respect to cost, efficiency, and security. This paper discusses the development of a supply chain decision analytics framework that will assist decision makers and stakeholders in performing risk-based cost-benefit prioritization of security investments to manage supply chain risk. Key aspects of our framework include the hierarchical supply chain representation, vulnerability and mitigation modeling, risk assessment and optimization. This work is a part of a long term research effort on supply chain decision analytics for trusted systems and communications research challenge. C1 [Kao, Gio; Lin, Han; Eames, Brandon; Haas, Jason; Fisher, Alexis; Michalski, John; Blount, Jon; Hamlet, Jason; Lee, Erik; Gauthier, John; Wyss, Gregory; Helinski, Ryan; Franklin, Dustin] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Mclay, Laura] Univ Wisconsin Madison, Madison, WI USA. RP Kao, G (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM lmclay@wisc.edu NR 15 TC 0 Z9 0 U1 1 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1071-6572 BN 978-1-4799-3532-1 J9 INT CARN CONF SECU PY 2014 PG 7 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BE2QO UT WOS:000369865000013 ER PT S AU Murton, M Johnston, P Waymire, R Belasich, D AF Murton, Mark Johnston, Paul Waymire, Russel Belasich, Deborah BE Garzia, F Thomas, G Pritchard, DA TI A Fidelity Framework for Small Arms Combat SO 2014 INTERNATIONAL CARNAHAN CONFERENCE ON SECURITY TECHNOLOGY (ICCST) SE International Carnahan Conference on Security Technology Proceedings LA English DT Proceedings Paper CT 48th Annual IEEE International Conference Carnahan on Security Technology (ICCST) CY OCT 13-16, 2014 CL Rome, ITALY SP Inst Elect & Elect Engineers, IEEE Aerosp & Elect Syst Soc Sect, Coll Engn, IEEE, Lexington Chapter, Natl Cent Univ, Chung Shan Inst Sci & Technol, European Acad Sci & Arts, Wessex Inst Technol DE fidelity; modeling; simulation; physical security systems; cyber security systems; object oriented programming AB Modelling and simulation (Mod-Sim) tools are becoming a crucial component in the design and evaluation of cyber and physical security systems. Many Mod-Sim tools exist for the elucidation of attack scenarios, characterization of facility vulnerabilities, and the construction and maintenance of optimal protection systems. The growing use of Mod-Sim tools for assessment of physical and cyber security systems necessitates a consistency in the existence of requirements and in the definitions of use for the models defined within a simulation. There are currently many Mod-Sim software tools available for use in characterizing various combat, physical, and cyber security scenarios. Even with the existence of a glossary distributed by the Modeling and Simulation Information Analysis Center-U.S. Department of Defense, there is a lack of requirement specifications and definitions for many of the terms and processes used in the modelling and simulation field. A more meaningful understanding for the construction of useful analyses is needed. It is critical that requirements, definitions, and processes be clearly identified and agreed upon before undertaking any effort to establish an analysis tool. In so doing, more cost effective model and simulation tools can then be developed that will produce scenarios, environments, and execution models that provide more a meaningful analyses of interest. In this paper, we will define the term fidelity and we will show how to consistently and appropriately apply the term to models that are used in simulation. Our intent is to develop a boundary for the meaning so that it can be used as a definitive basis with which to assess how well a model, and its function within a scenario, satisfies the end goal of answering the appropriate questions for which the scenario and simulation were constructed. Fidelity will be derived from various aspects of a model's purpose within a given simulation including the level of required interactivity amongst entities, the need to be realistic, and the complexity of the model. Many of the concepts from Object-Oriented programming have been leveraged to help identify required characteristics and interaction requirements of a core set of models that are deemed essential as a basis for all small arms combat scenarios. We will also demonstrate how our framework can be applied and extended to other cyber and physical security scenarios in an attempt to provide a fundamental construction methodology for all Mod-Sim efforts. C1 [Murton, Mark; Johnston, Paul; Waymire, Russel; Belasich, Deborah] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Murton, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mmurton@sandia.gov; pljohn@sandia.gov; rlwaymi@sandia.gov; dkbelas@sandia.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1071-6572 BN 978-1-4799-3532-1 J9 INT CARN CONF SECU PY 2014 PG 7 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BE2QO UT WOS:000369865000042 ER PT S AU Kelly, D Baroncelli, F Fowler, C Boundy, D Pratt, A AF Kelly, Damian Baroncelli, Fabio Fowler, Christopher Boundy, David Pratt, Annabelle GP IEEE TI Price Incentivised Electric Vehicle Charge Control for Community Voltage Regulation SO 2014 INTERNATIONAL CONFERENCE ON CONNECTED VEHICLES AND EXPO (ICCVE) SE International Conference on Connected Vehicles and Expo LA English DT Proceedings Paper CT 3rd International Conference on Connected Vehicles and Expo (ICCVE) CY NOV 03-07, 2014 CL Vienna, AUSTRIA SP IEEE, IEEE USA, World Acad Connected Vehicles, IEEE Intelligent Transportat Syst Soc, IEEE Vehicular Technol Soc, Transportat Res Board, Transportat Res Board, Standing Comm Intelligent Transportat Syst, Transportat Res Board, Standing Comm Vehicle Highway Automat, Transportat Res Board, Policy & Org Grp, SAE Int, ITS America, Assoc Comp Machinery, Assoc Comp Machinery, Special Interest Grp Spatial Informat, Int Federat Automat Control, Int Federat Automat Control Tech Comm Automot Control, IEEE Stand Assoc, IEEE Consumer Elect Soc, IEEE RFID Comm ID PREDICTION; SMART AB With the growing availability of Electric Vehicles, there is a significant opportunity to use battery "smart-charging" for voltage regulation. This work designs and experimentally evaluates a system for price-incentivised electric vehicle charging. The system is designed to eliminate negative impacts to the user while minimising the cost of charging and achieving a more favourable voltage behaviour throughout the local grid over time. The practical issues associated with a real-life deployment are identified and resolved. The efficacy of the system is evaluated in the challenging scenario in which EVs are deployed in six closely distributed homes, serviced by the same low voltage residential distribution feeder. C1 [Kelly, Damian; Boundy, David] Intel Labs, Santa Clara, CA USA. [Pratt, Annabelle] Natl Renewable Energy Lab, Golden, CO USA. RP Kelly, D (reprint author), Intel Labs, Santa Clara, CA USA. EM david.m.boundy@intel.com NR 12 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2378-1289 BN 978-1-4799-6729-2 J9 INT CONF CONNECT VEH PY 2014 BP 1 EP 6 DI 10.1109/ICCVE.2014.182 PG 6 WC Engineering, Electrical & Electronic; Transportation Science & Technology SC Engineering; Transportation GA BF0JT UT WOS:000378931500001 ER PT S AU Monti, T Di Donato, A Mencarelli, D Venanzoni, G Morini, A Farina, M Vlassiouk, IV Tselev, A AF Monti, Tamara Di Donato, Andrea Mencarelli, Davide Venanzoni, Giuseppe Morini, Antonio Farina, Marco Vlassiouk, Ivan V. Tselev, Alexander BE Kallio, P TI Near Field Microwave Microscopy for Nanoscale Characterization, Imaging and Patterning of Graphene Investigation on CVD grown graphene SO 2014 INTERNATIONAL CONFERENCE ON MANIPULATION, MANUFACTURING AND MEASUREMENT ON THE NANOSCALE (3M-NANO) SE International Conference on Manipulation Manufacturing and Measurement on the Nanoscale LA English DT Proceedings Paper CT 2014 International Conference on Manipulation, Manufacturing and Measurement on the Nanoscale (3M-NANO) CY OCT 27-31, 2014 CL Taipei, TAIWAN SP Ind Technol Res Inst, Acad Sinica, Natl Taiwan Univ, IEEE Nanotechnol Council, Changchun Univ Sci & Technol, Univ Oldenburg, Inst Informat Technol, IEEE, ISNM, IFToMM, Univ Bedfordshire, NSFC DE component; Graphene; Nanolithography; Nanopatterning; Scanning Probe Microscopy ID EPITAXIAL GRAPHENE; LAYER GRAPHENE; LITHOGRAPHY; NANORIBBONS; FABRICATION; RESOLUTION; NANOLITHOGRAPHY; OXIDATION AB This paper reports images of reproducible nanopatterns on hexagonal graphene flakes, produced by modulating the input power of a Near-Field Scanning Microwave Microscope, used at the same time for the characterization of the samples. We have studied the impact of different time exposures to the microwave field, and of different power levels. A possible explanation of the patterning mechanism is given by the heating-induced oxidation of the exposed graphene flakes. In order to confirm this assumption, we have developed a simplified model for the analysis of the heat distribution, and for the estimation of the temperature under the microscope probe. This effect could be the basis for an alternative nanolithographic technique. C1 [Monti, Tamara; Di Donato, Andrea; Mencarelli, Davide; Venanzoni, Giuseppe; Morini, Antonio; Farina, Marco] Univ Politecn Marche, Dipartimento Ingn Informaz, Ancona, Italy. [Vlassiouk, Ivan V.; Tselev, Alexander] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Monti, T (reprint author), Univ Politecn Marche, Dipartimento Ingn Informaz, Ancona, Italy. EM m.farina@univpm.it OI Monti, Tamara/0000-0001-5303-945X NR 54 TC 2 Z9 2 U1 2 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2373-5422 BN 978-1-4799-7923-3 J9 INT CONF MANIP MANU PY 2014 BP 32 EP 37 PG 6 WC Nanoscience & Nanotechnology SC Science & Technology - Other Topics GA BF1EW UT WOS:000380389000006 ER PT S AU Chan, HB Zou, J Marcet, Z Rodriguez, AW Reid, MTH McCauley, AP Kravchenko, III Lu, T Bao, Y Johnson, SG AF Chan, H. B. Zou, J. Marcet, Z. Rodriguez, A. W. Reid, M. T. H. McCauley, A. P. Kravchenko, I. I. I. Lu, T. Bao, Y. Johnson, S. G. GP IEEE TI THE CASIMIR EFFECT BETWEEN MICROMECHANICAL COMPONENTS ON A SILICON CHIP SO 2014 INTERNATIONAL CONFERENCE ON OPTICAL MEMS AND NANOPHOTONICS (OMN) SE International Conference on Optical MEMS and Nanophotonics LA English DT Proceedings Paper CT International Conference on Optical MEMS and Nanophotonics (OMN) CY AUG 17-21, 2014 CL Glasgow, SCOTLAND SP IEEE Photon Soc DE Casimir forces; quantum fluctuations; surface interactions; force sensors AB The Casimir force originates from quantum fluctuations. While this force is too weak to have any measurable effects between objects at separations larger than similar to 10 mu m, it dominates the interaction between electrically neutral surfaces at the nanoscale. By fabricating a doubly clamped microbeam for sensing the force and a comb actuator to control the distance, we demonstrate that the Casimir force can become the dominant interaction between components within the same silicon chip. C1 [Chan, H. B.; Zou, J.; Marcet, Z.; Lu, T.] Hong Kong Univ Sci & Technol, Hong Kong, Hong Kong, Peoples R China. [Zou, J.; Marcet, Z.; Bao, Y.] Univ Florida, Gainesville, FL 32611 USA. [Rodriguez, A. W.] Harvard Univ, Cambridge, MA 02138 USA. [Rodriguez, A. W.; Reid, M. T. H.; McCauley, A. P.; Johnson, S. G.] MIT, Cambridge, MA 02139 USA. [Kravchenko, I. I. I.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Chan, HB (reprint author), Hong Kong Univ Sci & Technol, Hong Kong, Hong Kong, Peoples R China. EM hochan@ust.hk RI Kravchenko, Ivan/K-3022-2015; Bao, Yiliang/G-9848-2016 OI Kravchenko, Ivan/0000-0003-4999-5822; NR 5 TC 0 Z9 0 U1 0 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2160-5033 J9 INT CONF OPTIC MEMS PY 2014 BP 61 EP 62 PG 2 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology SC Engineering; Science & Technology - Other Topics GA BE0PK UT WOS:000366524800031 ER PT S AU Du, WB Garcia, HE Binder, WR Paredis, CJJ AF Du, Wenbo Garcia, Humberto E. Binder, William R. Paredis, Christiaan J. J. GP IEEE TI Value-Driven Design and Sensitivity Analysis of Hybrid Energy Systems using Surrogate Modeling SO 2014 INTERNATIONAL CONFERENCE ON RENEWABLE ENERGY RESEARCH AND APPLICATION (ICRERA) SE International Conference on Renewable Energy Research and Applications LA English DT Proceedings Paper CT 3rd THE INTERNATIONAL CONFERENCE on RENEWABLE ENERGY RESEARCH and APPLICATIONS (ICRERA) CY OCT 19-22, 2014 CL Milwakuee, WI SP Int Journal Renewable Energy Res (IJRER), IEEE, IEEE Ind Appl Soc (IAS), Pels, Iee, Ieej, KBSoftware DE hybrid energy systems; renewable energy; value maximization; surrogate modeling; dynamic modeling and simulation; sensitivity analysis ID OPTIMIZATION; APPROXIMATION AB A surrogate modeling and analysis methodology is applied to study dynamic hybrid energy systems (HES). The effect of battery size on the smoothing of variability in renewable energy generation is investigated. Global sensitivity indices calculated using surrogate models show the relative sensitivity of system variability to dynamic properties of key components. A value maximization approach is used to consider the tradeoff between system variability and required battery size. Results are found to be highly sensitive to the renewable power profile considered, demonstrating the importance of accurate renewable resource modeling and prediction. The documented computational framework and preliminary results represent an important step towards a comprehensive methodology for HES evaluation, design, and optimization. C1 [Du, Wenbo; Garcia, Humberto E.] Idaho Natl Lab, Idaho Falls, ID USA. [Binder, William R.; Paredis, Christiaan J. J.] Georgia Inst Technol, Atlanta, GA 30332 USA. RP Du, WB (reprint author), Idaho Natl Lab, Idaho Falls, ID USA. EM humberto.garcia@inl.gov NR 17 TC 0 Z9 0 U1 2 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2377-6897 BN 978-1-4799-3795-0 J9 INT CONF RENEW ENERG PY 2014 BP 395 EP 400 PG 6 WC Energy & Fuels SC Energy & Fuels GA BF1GP UT WOS:000380395200062 ER PT J AU Clausen, A Ghatikar, G Jorgensen, BN AF Clausen, Anders Ghatikar, Girish Jorgensen, Bo Norregaard GP IEEE TI Load Management of Data Centers as Regulation Capacity in Denmark SO 2014 INTERNATIONAL GREEN COMPUTING CONFERENCE (IGCC) LA English DT Proceedings Paper CT International Green Computing Conference (IGCC) CY NOV 03-05, 2014 CL Dallas, TX ID ENERGY; OPTIMIZATION; SYSTEM AB Replacing the traditional fossil-based electricity generation with clean renewable energy is critical to address carbon emissions and climate change in particular. Denmark has a particularly aggressive strategy for renewable energy generation. By 2020 50% of electricity production is to be wind based and by 2050 the goal is to have an energy production based entirely on renewable energy. Renewable energy such as solar and wind is subject to variations due to changing weather conditions. This requires additional balancing capacity and ancillary services in order to balance the grid for transmission system operators and distribution system operators and balance errors in forecasts made by balance responsible parties. By enabling the demand-side to adapt consumption to match power generation, we can address this in a cost-effective and environmental sound way. In this context, data centers are of special interest as they account for 500 GWh of consumption in Denmark or nearly 2% of the total electricity consumption. This paper performs an analysis on load management capabilities of data centers in Denmark based on the experiences in the U.S. We characterize the load management capabilities of the data centers based on their types, technology, and their application as grid management resources. Further, we identify demand-side entry barriers towards market participation. Our findings suggest that groups of data centers can offer dynamic load flexibility as virtual power plants, and thereby support the evolution of the Danish energy systems towards its 2020 and 2050 goals. C1 [Clausen, Anders; Jorgensen, Bo Norregaard] Univ Southern Denmark, Ctr Smart Energy Solut, Odense, Denmark. [Ghatikar, Girish] Lawrence Berkeley Natl Lab, Grid Integrat Grp, Berkeley, CA USA. RP Clausen, A (reprint author), Univ Southern Denmark, Ctr Smart Energy Solut, Odense, Denmark. EM ancla@mmmi.sdu.dk; gghatikar@lbl.gov; bnj@iti.sdu.dk NR 25 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6177-1 PY 2014 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF4QK UT WOS:000381573100022 ER PT J AU Oxley, MA Jonardi, E Pasricha, S Maciejewski, AA Koenig, GA Siegel, HJ AF Oxley, Mark A. Jonardi, Eric Pasricha, Sudeep Maciejewski, Anthony A. Koenig, Gregory A. Siegel, Howard Jay GP IEEE TI Thermal, Power, and Co-location Aware Resource Allocation in Heterogeneous High Performance Computing Systems SO 2014 INTERNATIONAL GREEN COMPUTING CONFERENCE (IGCC) LA English DT Proceedings Paper CT International Green Computing Conference (IGCC) CY NOV 03-05, 2014 CL Dallas, TX DE heterogeneous computing; resource management; thermal-aware computing; power-aware computing; data center; DVFS; memory interference ID INDEPENDENT TASKS AB The rapid increase in power consumption of high performance computing (HPC) systems has led to an increase in the amount of cooling resources required to operate these facilities at a reliable threshold. The cooling systems contribute a large portion of the total power consumption of the facility, thus driving up the costs of providing power to these facilities. In addition, when cores sharing resources (e.g., last-level cache) execute applications at the same time, they can experience contention and therefore performance degradation. By taking a holistic approach to HPC facility management through intelligently allocating both computing and cooling resources, the performance of the HPC system can be maximized by considering co-location while obeying power consumption and thermal constraints. The performance of the system is quantified as the total reward earned from completing tasks by their individual deadlines. We propose three novel resource allocation techniques to maximize performance under power and thermal constraints when considering co- location effects: (1) a greedy heuristic, (2) a genetic algorithm technique used in combination with a new local search technique that guarantees the power and thermal constraints, and (3) a non-linear programming based approach (from previous work), adapted to consider co-location effects. C1 [Oxley, Mark A.; Jonardi, Eric; Pasricha, Sudeep; Maciejewski, Anthony A.; Siegel, Howard Jay] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA. [Jonardi, Eric; Siegel, Howard Jay] Colorado State Univ, Dept Comp Sci, Ft Collins, CO 80523 USA. [Koenig, Gregory A.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Oxley, MA (reprint author), Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA. EM mark.oxley@colostate.edu; eric.jonardi@colostate.edu; sudeep@colostate.edu; aam@colostate.edu; koenig@ornl.gov; hj@colostate.edu NR 22 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6177-1 PY 2014 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF4QK UT WOS:000381573100009 ER PT J AU Atanasiu, CV Zakharov, LE AF Atanasiu, Calin V. Zakharov, Leonid E. GP IEEE TI Calculation of Eddy Currents in 3D Thin Multiply Connected Wall Structures Induced by a Rotating Plasma Perturbation SO 2014 INTERNATIONAL SYMPOSIUM ON FUNDAMENTALS OF ELECTRICAL ENGINEERING (ISFEE) LA English DT Proceedings Paper CT 2014 International Symposium on Fundamentals of Electrical Engineering (ISFEE) CY NOV 28-29, 2014 CL Univ Politehn Bucharest, Bucharest, ROMANIA SP Univ Politehn Bucharest,Fac Elect Engn,Elect Engn Dept, Assoc Romanian Elect Elect Engineers, IEEE Romania Sect CAS/CS Chapter, IEEE Advancing Technol Human, Minist Natl Educ HO Univ Politehn Bucharest DE eddy currents; MHD plasma instabilities; meshless methods; tokamaks ID RESISTIVE WALL AB In this paper we present a method to calculate the response of a 3D thin multiply connected wall to an external kink mode perturbation in axisymmetric tokamak configurations by using the radial basis functions collocation meshfree method. The wall response is expressed in terms of a stream function of the wall surface currents or by making use of the magnetic vector potential. Our approach has been applied to the investigation of Resistive Wall Modes in tokamaks. C1 [Atanasiu, Calin V.] Natl Inst Laser Plasma & Radiat Phys, Bucharest 077125, Romania. [Zakharov, Leonid E.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08540 USA. RP Atanasiu, CV (reprint author), Natl Inst Laser Plasma & Radiat Phys, Bucharest 077125, Romania. EM cva@ipp.mpg.de; zakharov@ppppl.gov NR 19 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-6821-3 PY 2014 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA BF3RI UT WOS:000380570500018 ER PT J AU Lofstead, J Dayal, J Jimenez, I Maltzahn, C AF Lofstead, Jay Dayal, Jai Jimenez, Ivo Maltzahn, Carlos GP IEEE TI Efficient, Failure Resilient Transactions for Parallel and Distributed Computing SO 2014 INTERNATIONAL WORKSHOP ON DATA-INTENSIVE SCALABLE COMPUTING SYSTEMS (DISCS) LA English DT Proceedings Paper CT DISCS The International Workshop on Data-Intensive Scalable Computing Systems CY NOV 16-21, 2014 CL SC14, New Orleans, LA SP ACM, IEEE Comp Soc, SIGHPC HO SC14 AB Scientific simulations are moving away from using centralized persistent storage for intermediate data between workflow steps towards an all online model. This shift is motivated by the relatively slow IO bandwidth growth compared with compute speed increases. The challenges presented by this shift to Integrated Application Workflows are motivated by the loss of persistent storage semantics for node-to-node communication. One step towards addressing this semantics gap is using transactions to logically delineate a data set from 100,000s of processes to 1000s of servers as an atomic unit. Our previously demonstrated Doubly Distributed Transactions ((DT)-T-2) protocol showed a high-performance solution, but had not explored how to detect and recover from faults. Instead, the focus was on demonstrating high-performance typical case performance. The research presented here addresses fault detection and recovery based on the enhanced protocol design. The total overhead for a full transaction with multiple operations at 65,536 processes is on average 0.055 seconds. Fault detection and recovery mechanisms demonstrate similar performance to the success case with only the addition of appropriate timeouts for the system. This paper explores the challenges in designing a recoverable protocol for doubly distributed transactions, particularly for parallel computing environments. C1 [Lofstead, Jay] Sandia Natl Labs, Livermore, CA 94550 USA. [Dayal, Jai] Georgia Tech, Atlanta, GA USA. [Jimenez, Ivo; Maltzahn, Carlos] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. RP Lofstead, J (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM gflofst@sandia.gov; jdayal3@cc.gatech.edu; ivo@cs.ucsc.edu; carlosm@soe.ucsc.edu 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 BN 978-1-4799-7038-4 PY 2014 BP 17 EP 24 DI 10.1109/DISCS.2014.13 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF2MU UT WOS:000380481400003 ER PT J AU Yin, YL Kougkas, A Feng, K Eslami, H Lu, Y Sun, XH Thakur, R Gropp, W AF Yin, Yanlong Kougkas, Antonios Feng, Kun Eslami, Hassan Lu, Yin Sun, Xian-He Thakur, Rajeev Gropp, William GP IEEE TI Rethinking Key-Value Store for Parallel I/O Optimization SO 2014 INTERNATIONAL WORKSHOP ON DATA-INTENSIVE SCALABLE COMPUTING SYSTEMS (DISCS) LA English DT Proceedings Paper CT DISCS The International Workshop on Data-Intensive Scalable Computing Systems CY NOV 16-21, 2014 CL SC14, New Orleans, LA SP ACM, IEEE Comp Soc, SIGHPC HO SC14 AB Key-Value Stores (KVStore) are being widely used as the storage system for large-scale Internet services and cloud storage systems. However, they are rarely used in HPC systems, where parallel file systems (PFS) are the dominant storage systems. In this study, we carefully examine the architecture difference and performance characteristics of PFS and KVStore. We propose that it is valuable to utilize KVStore to optimize the overall I/O performance, especially for the workloads that PFS cannot handle well, such as the cases with hurtful data synchronization or heavy metadata operations. To verify this proposal, we conducted comprehensive experiments with several synthetic benchmarks, an I/O benchmark, and a real application. The results show that our proposal is promising. C1 [Yin, Yanlong; Kougkas, Antonios; Feng, Kun; Sun, Xian-He] IIT, Dept Comp Sci, Chicago, IL 60616 USA. [Eslami, Hassan; Gropp, William] Univ Illinois, Dept Comp Sci, Urbana, IL 61801 USA. [Lu, Yin] Texas Tech Univ, Dept Comp Sci, Lubbock, TX 79409 USA. [Thakur, Rajeev] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Yin, YL (reprint author), IIT, Dept Comp Sci, Chicago, IL 60616 USA. EM yyin2@hawk.iit.edu; akougkas@hawk.iit.edu; kfeng1@hawk.iit.edu; eslami2@illinois.edu; yin.lu@ttu.edu; sun@iit.edu; thakur@mcs.anl.gov; wgropp@illinois.edu OI Gropp, William/0000-0003-2905-3029 NR 18 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-7038-4 PY 2014 BP 33 EP 40 DI 10.1109/DISCS.2014.11 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF2MU UT WOS:000380481400005 ER PT J AU Jung, ES Vishwanath, V Kettimuthu, R AF Jung, Eun-Sung Vishwanath, Venkatram Kettimuthu, Rajkumar GP IEEE TI Distributed Multipath Routing Algorithm for Data Center Networks SO 2014 INTERNATIONAL WORKSHOP ON DATA-INTENSIVE SCALABLE COMPUTING SYSTEMS (DISCS) LA English DT Proceedings Paper CT DISCS The International Workshop on Data-Intensive Scalable Computing Systems CY NOV 16-21, 2014 CL SC14, New Orleans, LA SP ACM, IEEE Comp Soc, SIGHPC HO SC14 AB Multipath routing has been studied in diverse contexts such as wide-area networks and wireless networks in order to minimize the finish time of data transfer or the latency of message sending. The fast adoption of cloud computing for various applications including high-performance computing applications has drawn more attention to efficient network utilization through adaptive or multipath routing methods. However, the previous studies have not exploited multiple paths in an optimized way while scaling well with a large number of hosts for some reasons such as high time complexity of algorithms. In this paper, we propose a scalable distributed flow scheduling algorithm that can exploit multiple paths in data center networks. We develop our algorithm based on linear programming and evaluate the algorithm in FatTree network topologies, one of several advanced data center network topologies. The results show that the distributed algorithm performs much better than the centralized algorithm in terms of running time and is comparable to the centralized algorithm within 10% increased finish time in terms of data transfer time. C1 [Jung, Eun-Sung; Vishwanath, Venkatram; Kettimuthu, Rajkumar] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Jung, ES (reprint author), Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. EM esjung@mcs.anl.gov; venkatv@mcs.anl.gov; kettimut@mcs.anl.gov NR 19 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-7038-4 PY 2014 BP 49 EP 56 DI 10.1109/DISCS.2014.14 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF2MU UT WOS:000380481400007 ER PT S AU Coe, RG Bull, DL AF Coe, Ryan G. Bull, Diana L. GP IEEE TI Nonlinear Time-Domain Performance Model for a Wave Energy Converter in Three Dimensions SO 2014 OCEANS - ST. JOHN'S SE OCEANS-IEEE LA English DT Proceedings Paper CT Oceans Conference CY SEP 14-19, 2014 CL St Johns, CANADA AB A nonlinear three-dimensional time-domain performance model has been developed for a floating axisymmetric point absorbing WEC. This model employs a set of linear partial differential equations, in the form of a state-space model, to replace the convolution integrals needed to solve for radiation reaction. Linear time-domain results are verified against predictions from a frequency-domain model. Nonlinear time-domain predictions are compared back to frequency-domain and linear time-domain predictions to show the effects of some linearization assumptions. A simple resistive control strategy is applied throughout these scenarios. C1 [Coe, Ryan G.; Bull, Diana L.] Sandia Natl Labs, Water Power Technol, POB 5800, Albuquerque, NM 87185 USA. RP Coe, RG (reprint author), Sandia Natl Labs, Water Power Technol, POB 5800, Albuquerque, NM 87185 USA. EM rcoe@sandia.gov; dlbull@sandia.gov NR 15 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0197-7385 BN 978-1-4799-4918-2 J9 OCEANS-IEEE PY 2014 PG 10 WC Engineering, Marine; Engineering, Electrical & Electronic; Oceanography SC Engineering; Oceanography GA BE2QI UT WOS:000369848800063 ER PT J AU Bent, R Coffrin, C Gumucio, ERR Van Hentenryck, P AF Bent, Russell Coffrin, Carleton Gumucio, Rodrigo R. E. Van Hentenryck, Pascal GP IEEE TI Transmission Network Expansion Planning: Bridging the Gap between AC Heuristics and DC Approximations SO 2014 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 2014 Power Systems Computation Conference (PSCC) CY AUG 18-22, 2014 CL Wroclaw, POLAND SP Inst Elect & Elect Engineers, Powwer Syst Computat Conference DE Power System Planning; AC Power Flow; LPAC Power Flow; DC Power Flow; Nonlinear Programming; Optimization methods ID POWER-FLOW; MODELS; LOAD AB It was recently observed that a significant gap exists between the costs of Transmission Network Expansion Planning (TNEP) solutions produced by the DC power flow approximation and AC power flow heuristics. This paper confirms the existence of that gap and shows that DC-based TNEP solutions exhibit significant constraint violations when converted into AC power flows. The paper then demonstrates how to bridge this gap with the LPAC power flow model, a linear-programming approximation of the power flow that captures reactive power and voltage magnitudes. Indeed, LPAC-based TNEP solutions have minimal violations in AC power flows and provide high-quality solutions. The strength of the LPAC formulation is further demonstrated on the joint optimization of line expansion and VAr compensation, as well as a competitive market study. These studies suggest that the underling TNEP formulation has significant impacts on the proposed expansion plans. C1 [Bent, Russell] Los Alamos Natl Lab, Los Alamos, NM USA. [Coffrin, Carleton; Gumucio, Rodrigo R. E.] NICTA, Melbourne, Vic, Australia. [Coffrin, Carleton; Gumucio, Rodrigo R. E.] Univ Melbourne, Melbourne, Vic, Australia. [Van Hentenryck, Pascal] NICTA, Canberra, ACT, Australia. [Van Hentenryck, Pascal] Australian Natl Univ, Canberra, ACT, Australia. RP Bent, R (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM rbent@lanl.gov; carleton.coffrin@nicta.com.au; rodrigo.gumucio@nicta.com.au; pvh@nicta.com.au NR 22 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-83-935801-3-2 PY 2014 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA BF2ML UT WOS:000380480500016 ER PT J AU Chatzivasileiadis, S Andersson, G AF Chatzivasileiadis, Spyros Andersson, Goran GP IEEE TI Security Constrained OPF Incorporating Corrective Control of HVDC SO 2014 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 2014 Power Systems Computation Conference (PSCC) CY AUG 18-22, 2014 CL Wroclaw, POLAND SP Inst Elect & Elect Engineers, Powwer Syst Computat Conference DE High Voltage Direct Current; Voltage-Source Converter; corrective control; security-constrained optimal power flow; distribution factors; analytical solution; current injection method ID OPTIMAL POWER-FLOW AB This paper introduces linear current distribution factors for use in: (a) SCOPF formulations, and (b) in analytical approximations of corrective control actions for HVDC lines. These are relationships based on complex numbers, which can be used in the context of full AC power flow equations. Three distribution factors are introduced: the linear AC outage distribution factor (LOCDF), the current distribution factor (CDF), and a linear factor which expresses the effect of HVDC corrective control actions on the line currents. Through case studies we show that the accuracy of the proposed linear factors is comparable to existing, more complex, methods. We further demonstrate their applicability in an SCOPF problem, incorporating the corrective control capabilities of HVDC. The use of the proposed linear factors results in faster computation times, as they can be precomputed before the execution of the SCOPF algorithm. Furthermore, taking advantage of their linear properties, we introduce an approximate analytical solution for corrective control of HVDC lines. We apply this closed form relationship on a case study for line outages. C1 [Chatzivasileiadis, Spyros] Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. [Andersson, Goran] Swiss Fed Inst Technol, Power Syst Lab, CH-8092 Zurich, Switzerland. RP Chatzivasileiadis, S (reprint author), Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. EM schatzivasileiadis@lbl.gov; andersson@eeh.ee.ethz.ch NR 10 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-83-935801-3-2 PY 2014 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA BF2ML UT WOS:000380480500160 ER PT J AU Chiang, NY Petra, CG Zavala, VM AF Chiang, Naiyuan Petra, Cosmin G. Zavala, Victor M. GP IEEE TI Structured Nonconvex Optimization of Large-Scale Energy Systems Using PIPS-NLP SO 2014 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 2014 Power Systems Computation Conference (PSCC) CY AUG 18-22, 2014 CL Wroclaw, POLAND SP Inst Elect & Elect Engineers, Powwer Syst Computat Conference DE high-performance computing; optimization; non-convex; structures; power systems; natural gas; networks ID ALGORITHM AB We present PIPS-NLP, a software library for the solution of large-scale structured nonconvex optimization problems on high-performance computers. We discuss the features of the implementation in the context of electrical power and gas network systems. We illustrate how different model structures arise in these domains and how these can be exploited to achieve high computational efficiency. Using computational studies from security-constrained ACOPF and line-pack dispatch in natural gas networks, we demonstrate robustness and scalability. C1 [Chiang, Naiyuan; Petra, Cosmin G.; Zavala, Victor M.] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Chiang, NY (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM nychiang@mcs.anl.gov; petra@mcs.anl.gov; vzavala@mcs.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 BN 978-83-935801-3-2 PY 2014 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA BF2ML UT WOS:000380480500091 ER PT J AU Palmintier, B AF Palmintier, Bryan GP IEEE TI Flexibility in Generation Planning: Identifying Key Operating Constraints SO 2014 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 2014 Power Systems Computation Conference (PSCC) CY AUG 18-22, 2014 CL Wroclaw, POLAND SP Inst Elect & Elect Engineers DE Generation Planning; Unit Commitment; Flexibility; Renewables; MILP AB This paper utilizes the recent methodology of clustered integer unit commitment (UC)-which tractably captures operational flexibility within generation expansion planning-to explore which operating constraints are the most important for generation investment decisions. Flexibility has been previously shown to alter the optimal generation mix, particularly in scenarios with high flexibility required by significant renewables (>=20%) and/or decreased flexibility of some low-carbon technologies (e.g. traditional nuclear). This work explores the potential to relax some operating constraints to speed-up computation while controlling errors. It is found that operating reserves and maintenance are the most important constraints, while hour-to-hour ramping is least important. However, relaxing integers provides the best accuracy vs. performance trade-offs, but only when the linear program (LP) relaxation includes the full problem with UC constraints. This reduces computation time similar to 50x with the lowest errors across all metrics: cost (similar to 1%), CO2 (similar to 1%), capacity (similar to 9%), and energy mix (similar to 9%). Considerably high speed ups are possible using the LP relaxed formulation with selected subsets of UC constraints. For cost and CO2, the combination of grouped reserves, ramping, maintenance, and LP provides errors around 2% with similar to 1500x speedup. However, for capacity and energy mixes, only LP provides reasonable errors (<25%). C1 [Palmintier, Bryan] NREL, Golden, CO USA. RP Palmintier, B (reprint author), NREL, Golden, CO USA. EM bryanp@ieee.org NR 16 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-83-935801-3-2 PY 2014 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA BF2ML UT WOS:000380480500040 ER PT S AU Ravanelli, M Elizalde, B Ni, K Friedland, G AF Ravanelli, Mirco Elizalde, Benjamin Ni, Karl Friedland, Gerald GP IEEE TI AUDIO CONCEPT CLASSIFICATION WITH HIERARCHICAL DEEP NEURAL NETWORKS SO 2014 PROCEEDINGS OF THE 22ND EUROPEAN SIGNAL PROCESSING CONFERENCE (EUSIPCO) SE European Signal Processing Conference LA English DT Proceedings Paper CT 22nd European Signal Processing Conference (EUSIPCO) CY SEP 01-05, 2014 CL Lisbon, PORTUGAL DE deep neural networks; audio concepts classification; TRECVID AB Audio-based multimedia retrieval tasks may identify semantic information in audio streams, i.e., audio concepts (such as music, laughter, or a revving engine). Conventional Gaussian-Mixture-Models have had some success in classifying a reduced set of audio concepts. However, multi-class classification can benefit from context window analysis and the discriminating power of deeper architectures. Although deep learning has shown promise in various applications such as speech and object recognition, it has not yet met the expectations for other fields such as audio concept classification. This paper explores, for the first time, the potential of deep learning in classifying audio concepts on User-Generated Content videos. The proposed system is comprised of two cascaded neural networks in a hierarchical configuration to analyze the short-and long-term context information. Our system outperforms a GMM approach by a relative 54%, a Neural Network by 33%, and a Deep Neural Network by 12% on the TRECVID-MED database. C1 [Ravanelli, Mirco] Fdn Bruno Kessler, Trento, Italy. [Elizalde, Benjamin; Friedland, Gerald] Int Comp Sci Inst, Berkeley, CA 94704 USA. [Ni, Karl] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Ravanelli, M (reprint author), Fdn Bruno Kessler, Trento, Italy. FU U.S. Department of Energy, National Nuclear Security Administration [DE-AC52-07NA27344]; Intelligence Advanced Research Projects Activity (IARPA) via Department of Interior National Business Center [D11PC20066] FX Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344.; Supported by the Intelligence Advanced Research Projects Activity (IARPA) via Department of Interior National Business Center contract number D11PC20066. The U.S. Government is authorized to reproduce and distribute reprints for Governmental purposes notwithstanding any copyright annotation thereon. The views and conclusion contained herein are those of the authors and should not be interpreted as necessarily representing the official policies or endorsement, either expressed or implied, of IARPA, DOI/NBC, or the U.S. Government. NR 25 TC 0 Z9 0 U1 1 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2076-1465 BN 978-0-9928626-1-9 J9 EUR SIGNAL PR CONF PY 2014 BP 606 EP 610 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BG9MB UT WOS:000393420200122 ER PT J AU Jorgensen, AM Wise, J Lichtenberger, J Heilig, B Vellante, M Reda, J Fridel, RHW Henderson, MG Ober, DM Boudouridis, A Zesta, E Chi, PJ AF Jorgensen, Anders M. Wise, John Lichtenberger, Janos Heilig, Balazs Vellante, Massimo Reda, Jan Fridel, Reiner H. W. Henderson, Michael G. Ober, Daniel M. Boudouridis, Athanasios Zesta, Eftyhia Chi, Peter J. GP IEEE TI Data Assimilation of Space-Based and Ground-Based Observations, and Empirical Models Into a Plasmasphere Model SO 2014 XXXITH URSI GENERAL ASSEMBLY AND SCIENTIFIC SYMPOSIUM (URSI GASS) LA English DT Proceedings Paper CT 29th URSI General Assembly and Scientific Symposium (URSI GASS) CY AUG 16-23, 2014 CL Beijing, PEOPLES R CHINA SP URSI C1 [Jorgensen, Anders M.; Wise, John] New Mexico Inst Min & Technol, Socorro, NM 87801 USA. [Lichtenberger, Janos] Eotvos Lorand Univ, Budapest, Hungary. [Heilig, Balazs] MFGI, Budapest, Hungary. [Vellante, Massimo] Univ Aquila, I-67100 Laquila, Italy. [Reda, Jan] Polish Acad Sci, Inst Geophys, Warsaw 42, Poland. [Fridel, Reiner H. W.; Henderson, Michael G.] Los Alamos Natl Lab, Los Alamos, NM USA. [Ober, Daniel M.] Air Force Res Lab, Albuquerque, NM USA. [Boudouridis, Athanasios] Space Sci Inst, Boulder, CO USA. [Zesta, Eftyhia] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Chi, Peter J.] Univ Calif Los Angeles, Los Angeles, CA USA. RP Jorgensen, AM (reprint author), New Mexico Inst Min & Technol, Socorro, NM 87801 USA. EM anders@nmt.edu NR 0 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4673-5225-3 PY 2014 PG 1 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA BE0QU UT WOS:000366628703134 ER PT J AU Law, CJ Bower, GC Burke-Spolaor, S Butler, B Lawrence, E Lazio, TJW Mattmann, C Rupen, M Siemion, A VanderWiel, S AF Law, C. J. Bower, G. C. Burke-Spolaor, S. Butler, B. Lawrence, E. Lazio, T. J. W. Mattmann, C. Rupen, M. Siemion, A. VanderWiel, S. GP IEEE TI Interferometric Imaging of Millisecond Transients at 1 TB/hour SO 2014 XXXITH URSI GENERAL ASSEMBLY AND SCIENTIFIC SYMPOSIUM (URSI GASS) LA English DT Proceedings Paper CT 29th URSI General Assembly and Scientific Symposium (URSI GASS) CY AUG 16-23, 2014 CL Beijing, PEOPLES R CHINA SP URSI C1 [Law, C. J.; Bower, G. C.; Siemion, A.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Bower, G. C.] ASIAA, Taipei, Taiwan. [Burke-Spolaor, S.] CALTECH, Pasadena, CA 91125 USA. [Burke-Spolaor, S.; Lazio, T. J. W.; Mattmann, C.] JPL, Pasadena, CA USA. [Butler, B.; Rupen, M.] NRAO, Iowa City, IA USA. [Lawrence, E.; VanderWiel, S.] LANL, Los Alamos, NM USA. RP Law, CJ (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 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 978-1-4673-5225-3 PY 2014 PG 1 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA BE0QU UT WOS:000366628703235 ER PT J AU Zhang, JC Saikin, AA Kistler, LM Smith, CW Spence, HE Torbert, RB Larsen, BA Reeves, G Skoug, R Funsten, H Kurth, WS Kletzing, CA AF Zhang, J-C. Saikin, A. A. Kistler, L. M. Smith, C. W. Spence, H. E. Torbert, R. B. Larsen, B. A. Reeves, G. Skoug, R. Funsten, H. Kurth, W. S. Kletzing, C. A. GP IEEE TI Excitation of EMIC waves detected by the Van Allen Probes on 28 April 2013 SO 2014 XXXITH URSI GENERAL ASSEMBLY AND SCIENTIFIC SYMPOSIUM (URSI GASS) LA English DT Proceedings Paper CT 29th URSI General Assembly and Scientific Symposium (URSI GASS) CY AUG 16-23, 2014 CL Beijing, PEOPLES R CHINA SP URSI C1 [Zhang, J-C.; Saikin, A. A.; Kistler, L. M.; Smith, C. W.; Spence, H. E.; Torbert, R. B.] Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. [Larsen, B. A.; Reeves, G.; Skoug, R.; Funsten, H.] Los Alamos Natl Lab, ISR Space Sci & Applicat, Los Alamos, NM 87545 USA. [Kurth, W. S.; Kletzing, C. A.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. RP Zhang, JC (reprint author), Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. EM jichun.zhang@unh.edu 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 978-1-4673-5225-3 PY 2014 PG 1 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA BE0QU UT WOS:000366628703074 ER PT J AU Franceschini, F Kromar, M Calic, D Godfrey, AT Collins, BS Evans, TM Gehin, JC AF Franceschini, Fausto Kromar, Marjan Calic, Dusan Godfrey, Andrew T. Collins, Benjamin S. Evans, Thomas M. Gehin, Jess C. BE Jencic, I TI SIMULATION OF THE NPP KRSKO STARTUP CORE WITH CASL CORE SIMULATOR, VERA-CS SO 23RD INTERNATIONAL CONFERENCE NUCLEAR ENERGY FOR NEW EUROPE, (NENE 2014) LA English DT Proceedings Paper CT 23rd International Conference on Nuclear Energy for New Europe (NENE) CY SEP 08-11, 2014 CL Portoroz, SLOVENIA SP Gen Energia, Westinghouse, NEK, Elmont, gen i, Numip, APoS, Inst Nucl Technol, sfa, SiPRO Inzeniring, EiMV, Jedrski Pool GIZ, Kostak, QTECHNA, European Nucl Soc, GNS, DAHER NCS, ENCONET d o o AB This paper describes the application of the Virtual Environment for Reactor Applications (VERA) core simulator (VERA-CS) under development by the Consortium for Advanced Simulation of Light Water Reactors (CASL), to the core physics analysis of the Krsko NPP. VERA-CS aims at enabling whole-core fuel cycle depletion deterministic transport analysis with subchannel thermal-hydraulic coupling. VERA-CS can also perform stochastic neutron transport calculations through a continuous-energy massively parallel Monte-Carlo code. This paper is focused on the application of VERA-CS deterministic and stochastic neutronic components to the analysis of the startup physics tests for the initial core of Krsko. The results show good agreement with the startup physics tests measurements, as well as with predictions from the JSI CORD-2 package, which is validated and routinely used for the verification of the NPP Krsko reload cores. Several code-to-code numerical benchmarks are also performed with geometries from lattice up to full-core indicating a consistent and high-quality power distribution prediction from the two VERA-CS neutronic components. Achieving accurate, spatially detailed, core power distribution prediction capabilities is key in reproducing and understanding the phenomena challenging PWR operation, which is one of the goals of the CASL initiative, while the favourable comparison with measured parameters exhibited by VERA-CS continues to broaden its validation basis. C1 [Franceschini, Fausto] Westinghouse Elect Co LLC, 1000 Westinghouse Dr, Cranberry Township, PA 16066 USA. [Kromar, Marjan; Calic, Dusan] Jozef Stefan Inst, Ljubljana 1000, Slovenia. [Godfrey, Andrew T.; Collins, Benjamin S.; Evans, Thomas M.; Gehin, Jess C.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Franceschini, F (reprint author), Westinghouse Elect Co LLC, 1000 Westinghouse Dr, Cranberry Township, PA 16066 USA. EM FranceF@westinghouse.com; Marjan.Kromar@ijs.si; Dusan.Calic@ijs.si; GodfreyAT@ornl.gov; CollinsBS@ornl.gov; EvansTM@ornl.gov; GehinJC@ornl.gov NR 12 TC 0 Z9 0 U1 0 U2 0 PU NUCLEAR SOCIETY SLOVENIA PI 1001 LJUBLJANA PA JAMOVA 39, 1001 LJUBLJANA, SLOVENIA BN 978-9-61-620737-9 PY 2014 PG 24 WC Nuclear Science & Technology SC Nuclear Science & Technology GA BG6CX UT WOS:000390002500039 ER PT B AU Wen, YH Cheng, TL Jablonski, PD Sears, J Hawk, JA AF Wen, You-hai Cheng, Tian-le Jablonski, Paul D. Sears, John Hawk, Jeffrey A. BE Ott, E Banik, A Andersson, J Dempster, I Gabb, T Groh, J Heck, K Helmink, R Liu, X WusatowskaSarnek, A TI STABILITY OF GAMMA PRIME IN H282: THEORETICAL AND EXPERIMENTAL CONSIDERATION SO 8TH INTERNATIONAL SYMPOSIUM ON SUPERALLOY 718 AND DERIVATIVES LA English DT Proceedings Paper CT 8th International Symposium on Superalloy 718 and Derivatives CY SEP 28-OCT 01, 2014 CL Pittsburgh, PA SP Minerals, Met & Mat Soc DE Advanced Ultra Supercritical; Steam Turbine; Superalloy; Gamma Prime; Coarsening; Phase Field; Haynes 282 ID DIFFUSION AB The life cycle requirements for advanced Ni alloys are very demanding and can be on the order of several hundred thousand hours. Results are presented on a wrought Ni-based superalloy with a fixed amount of gamma' strengthening phase, and either low Al or Ti (within the alloy specification). The effect that these changes have on the gamma' misfit and its relevance to long term microstructural stability will be explored both experimentally as well as with computational modeling through 10,000 hours. Results on each alloy formulation are compared and discussed with respect to the long term stability of the alloy. C1 [Wen, You-hai; Cheng, Tian-le; Jablonski, Paul D.; Sears, John; Hawk, Jeffrey A.] Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. RP Wen, YH (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. NR 13 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-01685-4; 978-1-119-01680-9 PY 2014 BP 361 EP 378 PG 18 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BE6PQ UT WOS:000374558400029 ER PT B AU Sames, J Medina, F Peter, WH Babu, SS Dehoff, RR AF Sames, W. J. Medina, F. Peter, W. H. Babu, S. S. Dehoff, R. R. BE Ott, E Banik, A Andersson, J Dempster, I Gabb, T Groh, J Heck, K Helmink, R Liu, X WusatowskaSarnek, A TI EFFECT OF PROCESS CONTROL AND POWDER QUALITY ON INCONEL 718 PRODUCED USING ELECTRON BEAM MELTING SO 8TH INTERNATIONAL SYMPOSIUM ON SUPERALLOY 718 AND DERIVATIVES LA English DT Proceedings Paper CT 8th International Symposium on Superalloy 718 and Derivatives CY SEP 28-OCT 01, 2014 CL Pittsburgh, PA SP Minerals, Met & Mat Soc DE additive manufacturing; powder quality; mechanical testing ID HUMPING PHENOMENON; MICROSTRUCTURE AB Powder bed additive manufacturing technologies have the potential to fabricate complex metal components with increased performance at lower costs than conventional processes. The Arcam Electron Beam Melting (EBM) process distributes metal powder in thin layers (50-200 mu m) which are melted by a focused electron beam at specific locations specified by a computer file. Work is presented that demonstrates the ability to fabricate Inconel 718 components from powder and discusses challenges with reference to process control and final properties. Processing defects may be avoided by changing the power/velocity relationship and powder bed temperature. Powder quality also plays an important role in additive manufacturing metallurgy, and the effect on EBM parts is explored. The importance of the hold time and hold temperature of the part during fabrication greatly affect tensile properties in the results presented. The relationship between processing parameters, powder quality, and mechanical properties is discussed. C1 [Sames, W. J.] Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. [Sames, W. J.; Peter, W. H.; Babu, S. S.; Dehoff, R. R.] Oak Ridge Natl Lab, Mfg Demonstrat Facil, Knoxville, TN USA. [Medina, F.] Arcam AB, Molndal, Sweden. [Peter, W. H.; Dehoff, R. R.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN USA. [Babu, S. S.] Univ Tennessee, Dept Aerosp & Biomed Engn, Knoxville, TN USA. RP Sames, J (reprint author), Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. RI Dehoff, Ryan/I-6735-2016 OI Dehoff, Ryan/0000-0001-9456-9633 NR 22 TC 0 Z9 0 U1 6 U2 16 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-01685-4; 978-1-119-01680-9 PY 2014 BP 409 EP 423 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BE6PQ UT WOS:000374558400032 ER PT B AU Holcomb, GR AF Holcomb, Gordon R. BE Ott, E Banik, A Andersson, J Dempster, I Gabb, T Groh, J Heck, K Helmink, R Liu, X WusatowskaSarnek, A TI HIGH PRESSURE STEAM OXIDATION OF NI-BASE SUPERALLOYS IN ADVANCED ULTRA-SUPERCRITICAL STEAM BOILERS AND TURBINES SO 8TH INTERNATIONAL SYMPOSIUM ON SUPERALLOY 718 AND DERIVATIVES LA English DT Proceedings Paper CT 8th International Symposium on Superalloy 718 and Derivatives CY SEP 28-OCT 01, 2014 CL Pittsburgh, PA SP Minerals, Met & Mat Soc DE Steam; Oxidation; Superalloy; Pressure; Advanced Ultra-supercritical ID FE-CR ALLOYS; WATER-VAPOR; BEHAVIOR AB This research is to support efforts to design and build safe and cost-effective advanced ultra-supercritical(A-USC) steam boilers and turbines, with increases in energy production efficiency and reductions in emissions, including CO2. A 1 liter flowing steam autoclave, rated to 346 bar/704 degrees C and 228 bar/760 degrees C, was constructed and the first steam oxidation test conducted at 267 +/- 17 bar and 670 degrees C for 293 hr. A comparison test was run at 1 bar. Parabolic rate constants, k(p), were estimated from mass change data and compared with literature values from longer duration tests-but none at this high of combined temperature and pressure. Test materials were Ni-base alloys H230, H263, H282, IN617, IN625 and IN740. At 267 bar H230, H263, H282, IN617 and IN740 had increased scale thickness and kp values a factor of one-to-two orders of magnitude higher than at 1 bar. The 1 bar data matched literature values for chromia, while the 267 bar data had a higher oxidation rate. IN625 had a four order of magnitude increase in kp at 267 bar compared to 1 bar. Possible causes for increased oxidation rates with increased pressure were examined. Increased solid state diffusion within the oxide scale is quantifiable and accounts for a modest increases in expected corrosion rate and scale thickness. Increased amounts of hydrogen in the alloy, injected into the metal during steam oxidation at high pressures, can increase oxygen permeability and thus lower the ability of the alloy to establish a chromia scale-an increase in the critical Cr content for chromia scales. C1 [Holcomb, Gordon R.] Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. RP Holcomb, GR (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. NR 18 TC 0 Z9 0 U1 1 U2 1 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-01685-4; 978-1-119-01680-9 PY 2014 BP 613 EP 627 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BE6PQ UT WOS:000374558400048 ER PT B AU Kernion, SJ Magee, JH Werley, TN Maxwell, PB Somerday, BP AF Kernion, Samuel J. Magee, John H. Werley, Thomas N. Maxwell, Paul B. Somerday, Brian P. BE Ott, E Banik, A Andersson, J Dempster, I Gabb, T Groh, J Heck, K Helmink, R Liu, X WusatowskaSarnek, A TI MEASUREMENT OF HYDROGEN EMBRITTLEMENT RESISTANCE OF ALLOYS 718 AND CUSTOM AGE 625 PLUS (R) USING THE RISING STEP LOAD TECHNIQUE SO 8TH INTERNATIONAL SYMPOSIUM ON SUPERALLOY 718 AND DERIVATIVES LA English DT Proceedings Paper CT 8th International Symposium on Superalloy 718 and Derivatives CY SEP 28-OCT 01, 2014 CL Pittsburgh, PA SP Minerals, Met & Mat Soc DE Hydrogen environment assisted cracking; fracture mechanics; Ni-base superalloys AB Hydrogen embrittlement continues to pose a serious threat to Ni-base superalloys in oil and gas well applications. A study on the hydrogen embrittlement resistance of alloys 718 and Custom Age 625 PLUS (R) was conducted using a rising step load (RSL) technique in four point bending with sample exposure to hydrogen occurring prior to testing (internal hydrogen) or in-situ (external hydrogen). The RSL method measures the stress intensity factor required to cause propagation of a pre-existing flaw. This test is accelerated compared to other fracture mechanics based methods and provides an absolute rather than relative measure of embrittlement resistance. Results indicate hydrogen embrittlement susceptibility is dependent on composition, microstructure, and strength of the alloy. The advantages and challenges associated with this testing will be discussed, with the goal of establishing a method that can rank alloys and provide quantitative measures usable in fracture mechanics life cycle prediction and alloy design modeling. C1 [Kernion, Samuel J.; Magee, John H.; Werley, Thomas N.; Maxwell, Paul B.] Carpenter Technol Corp, 101 W Bern St, Reading, PA 19601 USA. [Somerday, Brian P.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Kernion, SJ (reprint author), Carpenter Technol Corp, 101 W Bern St, Reading, PA 19601 USA. NR 20 TC 0 Z9 0 U1 1 U2 1 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-01685-4; 978-1-119-01680-9 PY 2014 BP 629 EP 641 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BE6PQ UT WOS:000374558400049 ER PT B AU Nutter, JS Chen, T Hawk, J Liu, XB AF Nutter, Jared S. Chen, Ting Hawk, Jeffrey Liu, Xingbo BE Ott, E Banik, A Andersson, J Dempster, I Gabb, T Groh, J Heck, K Helmink, R Liu, X WusatowskaSarnek, A TI EFFECT OF AGING TREATMENT ON PITTING CORROSION AND CORROSION FATIGUE CRACK PROPAGATION BEHAVIOR OF OIL-GRADE ALLOY 718 SO 8TH INTERNATIONAL SYMPOSIUM ON SUPERALLOY 718 AND DERIVATIVES LA English DT Proceedings Paper CT 8th International Symposium on Superalloy 718 and Derivatives CY SEP 28-OCT 01, 2014 CL Pittsburgh, PA SP Minerals, Met & Mat Soc DE Oil-grade alloy 718; Aging treatment; Pitting corrosion; Corrosion fatigue crack ID STANDARD HEAT-TREATMENT; MECHANICAL-PROPERTIES; GROWTH-BEHAVIOR; BASE ALLOYS; INCONEL-718; TEMPERATURE; SUPERALLOY; MICROSTRUCTURE; PRECIPITATION; VARIABLES AB In this study, the influence of aging treatment on pitting corrosion and corrosion fatigue crack propagation (CFCP) behavior of oil-grade alloy 718 in different NaCl solutions is investigated. Electrochemical measurement results show no change in the pitting corrosion resistance of alloy 718, regardless of aging treatment, indicated by the similar corrosion current density and pitting potential. The pitting corrosion resistance is decreased with the increase in solution temperature and NaCl concentration. CFCP results demonstrate that there is no effect of 3.5 wt.% NaCl solution on the CFCP rates of alloy 718 in comparison with the ones tested in air, in spite of aging treatment. Nevertheless, 21 wt.% NaCl solution produces a deleterious effect on the CFCP rates of alloy 718. Aging treatments lead to lower CFCP rates in all tested environments. However, no difference of CFCP rates is observed between one-step aged and two-step aged specimens. C1 [Nutter, Jared S.; Chen, Ting; Hawk, Jeffrey; Liu, Xingbo] Natl Energy Technol Lab, Albany, OR 97321 USA. [Nutter, Jared S.; Chen, Ting; Liu, Xingbo] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA. [Nutter, Jared S.] Belcan Corp, Cincinnati, OH 45242 USA. RP Nutter, JS (reprint author), Natl Energy Technol Lab, Albany, OR 97321 USA. NR 32 TC 0 Z9 0 U1 1 U2 1 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-01685-4; 978-1-119-01680-9 PY 2014 BP 643 EP 658 PG 16 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BE6PQ UT WOS:000374558400050 ER PT B AU Unocic, KA Pint, BA AF Unocic, K. A. Pint, B. A. BE Ott, E Banik, A Andersson, J Dempster, I Gabb, T Groh, J Heck, K Helmink, R Liu, X WusatowskaSarnek, A TI EFFECT OF ENVIRONMENT ON THE HIGH TEMPERATURE OXIDATION BEHAVIOR OF 718 AND 718PLUS SO 8TH INTERNATIONAL SYMPOSIUM ON SUPERALLOY 718 AND DERIVATIVES LA English DT Proceedings Paper CT 8th International Symposium on Superalloy 718 and Derivatives CY SEP 28-OCT 01, 2014 CL Pittsburgh, PA SP Minerals, Met & Mat Soc DE high temperature oxidation; environment; steam; water vapor; 718Plus ID WATER-VAPOR; MATERIALS TECHNOLOGY; CHROMIUM ALLOYS; IRON-CHROMIUM; PRECIPITATION; INCONEL-718; KINETICS; PLANTS; SCALES; PHASE AB Ni-base alloys 718 and 718Plus are widely used for high temperature components in aircraft and power generation turbines under various environment conditions. Laboratory experimental rigs were used to simulate turbine exhaust (air with 10%H2O), steam and laboratory air at 550 degrees-800 degrees C for up to 10,000 h and compared to oxidation in laboratory air. Because component lifetimes can be much longer than 10,000 h, the experiments at 800 degrees C were performed in an attempt to simulate longer exposures at lower temperatures but there are concerns about 718 microstructural stability at this temperature. Oxidation in wet air resulted in net mass losses due to the formation of volatile CrO2(OH)(2) but Cr depletion in the substrate was minimal, even at 800 degrees C. The rate constants for 718Plus in air tended to be slightly lower than 718 but otherwise few differences in oxidation behavior were observed. The higher Al content in 718Plus or the finer grain size in these specimens may help to reduce the reaction rate. C1 [Unocic, K. A.; Pint, B. A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Unocic, KA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. NR 32 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-01685-4; 978-1-119-01680-9 PY 2014 BP 667 EP 677 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BE6PQ UT WOS:000374558400052 ER PT B AU Jablonski, PD Hawk, JA AF Jablonski, Paul D. Hawk, Jeffrey A. BE Ott, E Banik, A Andersson, J Dempster, I Gabb, T Groh, J Heck, K Helmink, R Liu, X WusatowskaSarnek, A TI INCONEL (R) ALLOY 740: POTENTIAL FOR USE IN A-USC CASTINGS SO 8TH INTERNATIONAL SYMPOSIUM ON SUPERALLOY 718 AND DERIVATIVES LA English DT Proceedings Paper CT 8th International Symposium on Superalloy 718 and Derivatives CY SEP 28-OCT 01, 2014 CL Pittsburgh, PA SP Minerals, Met & Mat Soc DE Advanced Ultra Supercritical; Steam Turbine; Superalloy; Casting; Homogenization ID SURFACE SEGREGATION; NICKEL-CHROMIUM; SULFUR; DIFFUSION; DUCTILITY AB Traditionally, high temperature components within coal fired power plants are manufactured from ferritic/martensitic steels. However, the proposed steam temperature in the Advanced Ultra Supercritical (A-USC) power plant is high enough (760 degrees C) that ferritic/martensitic steels will not work due to temperature limitations of this class of materials; thus Ni-based superalloys are being considered. Large scale castings will be required for some components including valve bodies and turbine casings. This paper discusses cast versions of INCONEL (R) Alloy 740 (IN740) and presents a case for chemistry control. C1 [Jablonski, Paul D.; Hawk, Jeffrey A.] Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. RP Jablonski, PD (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. NR 26 TC 0 Z9 0 U1 2 U2 2 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-01685-4; 978-1-119-01680-9 PY 2014 BP 809 EP 822 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BE6PQ UT WOS:000374558400064 ER PT B AU Jablonski, PD Hawk, JA AF Jablonski, Paul D. Hawk, Jeffrey A. BE Ott, E Banik, A Andersson, J Dempster, I Gabb, T Groh, J Heck, K Helmink, R Liu, X WusatowskaSarnek, A TI CONSIDERATIONS FOR HOMOGENIZING ALLOYS SO 8TH INTERNATIONAL SYMPOSIUM ON SUPERALLOY 718 AND DERIVATIVES LA English DT Proceedings Paper CT 8th International Symposium on Superalloy 718 and Derivatives CY SEP 28-OCT 01, 2014 CL Pittsburgh, PA SP Minerals, Met & Mat Soc DE Advanced Ultra Supercritical; Steam Turbine; Superalloy; Casting; Homogenization ID NI-BASE SUPERALLOY; HEAT-TREATMENT; STEEL AB Chemical inhomogeneities result naturally as a by-product of alloy solidification. Thermal or thermo-mechanical treatments are often used to reduce these inhomogeneities. The question remains exactly how to achieve this and to what level. If the chemical inhomogeneity profile is known a-priory, kinetic modeling software such as DICTRA (Diffusion Controlled TRAnsformations) can be used to model the homogenization kinetics of an alloy. In this study, the Scheil module within the ThermoCalc software was used to predict the as-cast segregation of alloys. The segregation profiles were read into DICTRA to refine the homogenization heat treatment of the alloys. The thermodynamic and kinetic modeling of the computationally predicted heat treatment and microstructure, and subsequent experimental verifications on real castings is presented along with a set of decision criteria. C1 [Jablonski, Paul D.; Hawk, Jeffrey A.] Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. RP Jablonski, PD (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. NR 27 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-01685-4; 978-1-119-01680-9 PY 2014 BP 823 EP 840 PG 18 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BE6PQ UT WOS:000374558400065 ER PT B AU Hefferan, CM Li, SF Lind, J Pokharel, R Lienert, U Rollett, AD Suter, RM AF Hefferan, C. M. Li, S. F. Lind, J. Pokharel, R. Lienert, U. Rollett, A. D. Suter, R. M. BE Ott, E Banik, A Andersson, J Dempster, I Gabb, T Groh, J Heck, K Helmink, R Liu, X WusatowskaSarnek, A TI THE POPULATION OF TWIN RELATED BOUNDARIES IN HIGH PURITY NICKEL AS MEASURED WITH NEAR-FIELD HIGH ENERGY X-RAY DIFFRACTION MICROSCOPY SO 8TH INTERNATIONAL SYMPOSIUM ON SUPERALLOY 718 AND DERIVATIVES LA English DT Proceedings Paper CT 8th International Symposium on Superalloy 718 and Derivatives CY SEP 28-OCT 01, 2014 CL Pittsburgh, PA SP Minerals, Met & Mat Soc DE twin boundary; high energy X-ray diffraction microscopy; forward modeling orientation reconstruction; Brandon criterion ID STRESS-CORROSION CRACKING; CHARACTER-DISTRIBUTION; GRAIN; POLYCRYSTALS; DIMENSIONS; COPPER AB The ability of near-field High Energy X-ray Diffraction Microscopy (nf-HEDM) to map the dynamic response of microstructures under the influence of thermo-mechanical loads has been repeatedly demonstrated. Here, we use nf-HEDM to monitor the evolution of the same high purity, polycrystalline nickel microstructure through a sequence of five, grain growth anneal states. While the microstructure coarsens in response to the applied heat, the boundary misorientation distribution was found to be both static and consistent with that of a twinned microstructure. Analysis of the Sigma 3(n) grain boundaries shows that in addition to accounting for a large proportion of the grain boundary area, these twin related boundaries also exhibit minimal deviation from the ideal Sigma 3(n) configuration. C1 [Hefferan, C. M.] RJ Lee Grp Inc, 350 Hochberg Rd, Monroeville, PA 15146 USA. [Li, S. F.; Lind, J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Pokharel, R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Lienert, U.] Deutsch Elektronen Synchrotron DESY, Hamburg, Germany. [Rollett, A. D.; Suter, R. M.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. RP Hefferan, CM (reprint author), RJ Lee Grp Inc, 350 Hochberg Rd, Monroeville, PA 15146 USA. NR 35 TC 0 Z9 0 U1 1 U2 1 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-01685-4; 978-1-119-01680-9 PY 2014 BP 885 EP 896 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BE6PQ UT WOS:000374558400070 ER PT J AU Saini, A Rezaei, A Mueller, F Hargrove, P Roman, E AF Saini, Ajay Rezaei, Arash Mueller, Frank Hargrove, Paul Roman, Eric GP ACM TI Affinity-Aware Checkpoint Restart SO ACM/IFIP/USENIX MIDDLEWARE 2014 LA English DT Proceedings Paper CT 15th ACM/IFIP/USENIX International Middleware Conference CY DEC 08-12, 2014 CL Bordeaux, FRANCE SP Red Hat JBoss Middlew2are, HP, Raytheon BBN Technologies, Univ Bordeaux, IBM, Orange, ACM, Reg Aquitaine, IFIP, USENIX, ASR, IFIP DE Checkpoint and restart; fault tolerance; multi-core; NUMA; system software AB Current checkpointing techniques employed to overcome faults for HPC applications result in inferior application performance after restart from a checkpoint for a number of applications. This is due to a lack of page and core affinity awareness of the checkpoint/restart (C/R) mechanism, i.e., application tasks originally pinned to cores may be restarted on different cores, and in case of non-uniform memory architectures (NUMA), quite common today, memory pages associated with tasks on a NUMA node may be associated with a different NUMA node after restart. This work contributes a novel design technique for C/R mechanisms to preserve task-to-core maps and NUMA node specific page affinities across restarts. Experimental results with BLCR, a C/R mechanism, enhanced with affinity awareness demonstrate significant performance benefits of 37%-73% for the NAS Parallel Benchmark codes and 6-12% for NAMD with negligible overheads instead of up to nearly four times longer an execution times without affinity-aware restarts on 16 cores. C1 [Saini, Ajay; Rezaei, Arash; Mueller, Frank] North Carolina State Univ, Raleigh, NC 27695 USA. [Hargrove, Paul; Roman, Eric] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Saini, A (reprint author), North Carolina State Univ, Raleigh, NC 27695 USA. EM mueller@ncsu.edu; phhargrove@lbl.gov; eroman@lbl.gov NR 25 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2785-5 PY 2014 BP 121 EP 132 DI 10.1145/2663165.2663325 PG 12 WC Computer Science, Software Engineering; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF6UT UT WOS:000383737300011 ER PT S AU Nozik, AJ Conibeer, G Beard, MC AF Nozik, Arthur J. Conibeer, Gavin Beard, Mathew C. BE Nozik, AJ Conibeer, G Beard, MC TI Advanced Concepts in Photovoltaics Preface SO ADVANCED CONCEPTS IN PHOTOVOLTAICS SE RSC Energy and Environment Series LA English DT Editorial Material; Book Chapter C1 [Nozik, Arthur J.; Beard, Mathew C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Conibeer, Gavin] Univ New South Wales, Sydney, NSW, Australia. RP Nozik, AJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM anozik@nrel.gov; g.conibeer@unsw.edu.au; matt.beard@nrel.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-995-5; 978-1-84973-591-9 J9 RSC ENERGY ENVIRON S PY 2014 IS 11 BP V EP X D2 10.1039/9781849739955 PG 6 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BG2DK UT WOS:000387273400001 ER PT S AU Johnson, JC Michl, J AF Johnson, Justin C. Michl, Josef BE Nozik, AJ Conibeer, G Beard, MC TI Singlet Fission and 1,3-Diphenylisobenzofuran as a Model Chromophore SO ADVANCED CONCEPTS IN PHOTOVOLTAICS SE RSC Energy and Environment Series LA English DT Article; Book Chapter ID EXCITON FISSION; ANTHRACENE-CRYSTALS; SOLAR-CELLS; PHOTOPHYSICS; DYNAMICS; ANNIHILATION; TETRACENE; STATES; VIEW C1 [Johnson, Justin C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Michl, Josef] Univ Colorado Boulder, Dept Chem & Biochem, Boulder, CO 80309 USA. [Michl, Josef] Acad Sci Czech Republic, Inst Organ Chem & Biochem, CR-16610 Prague 6, Czech Republic. RP Michl, J (reprint author), Univ Colorado Boulder, Dept Chem & Biochem, Boulder, CO 80309 USA. EM michl@eefus.colorado.edu RI Michl, Josef/G-9376-2014 NR 38 TC 3 Z9 3 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-995-5; 978-1-84973-591-9 J9 RSC ENERGY ENVIRON S PY 2014 IS 11 BP 324 EP 344 D2 10.1039/9781849739955 PG 21 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BG2DK UT WOS:000387273400011 ER PT S AU Beard, MC Ip, AH Luther, JM Sargent, EH Nozik, AJ AF Beard, Matthew C. Ip, Alexander H. Luther, Joseph M. Sargent, Edward H. Nozik, Arthur J. BE Nozik, AJ Conibeer, G Beard, MC TI Quantum Confined Semiconductors for Enhancing Solar Photoconversion through Multiple Exciton Generation SO ADVANCED CONCEPTS IN PHOTOVOLTAICS SE RSC Energy and Environment Series LA English DT Article; Book Chapter ID LIGHT-EMITTING TRANSISTOR; CORE-SHELL NANOCRYSTALS; HOT-CARRIER RELAXATION; DOT PHOTOVOLTAICS; COLLOIDAL NANOCRYSTALS; NANOROD HETEROSTRUCTURES; CORE/SHELL NANOCRYSTALS; INFRARED PHOTOVOLTAICS; EXTINCTION COEFFICIENT; ELECTRICAL-PROPERTIES C1 [Beard, Matthew C.; Luther, Joseph M.; Nozik, Arthur J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Ip, Alexander H.; Sargent, Edward H.] Univ Toronto, Toronto, ON, Canada. [Nozik, Arthur J.] Univ Colorado, Boulder, CO 80309 USA. RP Beard, MC (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM matt.beard@nrel.gov OI BEARD, MATTHEW/0000-0002-2711-1355 NR 147 TC 3 Z9 3 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-995-5; 978-1-84973-591-9 J9 RSC ENERGY ENVIRON S PY 2014 IS 11 BP 345 EP 378 D2 10.1039/9781849739955 PG 34 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BG2DK UT WOS:000387273400012 ER PT J AU Yin, WJ Wu, YL Wei, SH Noufi, R Al-Jassim, MM Yan, YF AF Yin, Wan-Jian Wu, Yelong Wei, Su-Huai Noufi, Rommel Al-Jassim, Mowafak M. Yan, Yanfa TI Engineering Grain Boundaries in Cu2ZnSnSe4 for Better Cell Performance: A First-Principle Study SO ADVANCED ENERGY MATERIALS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; FILM SOLAR-CELLS; ELECTRONIC-PROPERTIES; THIN-FILMS; BASIS-SET; EFFICIENCY; ABSORBER; SEMICONDUCTORS; DEVICES AB Through first-principle density functional theory (DFT) calculations, the atomic structure and electronic properties of intrinsic and passivated Sigma 3 (114) grain boundaries (GBs) in Cu2ZnSnSe4 (CZTSe) are studied. Intrinsic GBs in CZTSe create localized deep states within the band gap and thus act as Shockley-Read-Hall recombination centers, which are detrimental to cell performance. Defects, such as Zn-Sn (Zn atoms on Sn sites), Na-i(+) (interstitial Na ions), and O-Se (O atoms on Se sites), prefer to segregate into GBs in CZTSe. The segregation of these defects at GBs exhibit two beneficial effects: 1) eliminating the deep gap states via wrong bonds breaking or weakening at GBs, making GBs electrically benign; and 2) creating hole barriers and electron sinkers, promoting effective charge separation at GBs. The results suggest a unique chemical approach for engineering GBs in CZTSe to achieve improved cell performance. C1 [Yin, Wan-Jian; Wu, Yelong; Yan, Yanfa] Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA. [Yin, Wan-Jian; Wu, Yelong; Yan, Yanfa] Univ Toledo, Ctr Photovolta Innovat & Commercializat, Toledo, OH 43606 USA. [Wei, Su-Huai; Noufi, Rommel; Al-Jassim, Mowafak M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Yin, WJ (reprint author), Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA. EM wanjian.yin@utoledo.edu; yanfa.yan@utoledo.edu RI Wu, Yelong/G-1100-2010; Yin, Wanjian/F-6738-2013 OI Wu, Yelong/0000-0002-4211-911X; FU National Science Foundation [CHE-1230246]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy [DE-AC36-08GO28308]; Ohio Research Scholar Program (ORSP) FX The work is partially supported by the National Science Foundation under contract No CHE-1230246. This research used resources of Ohio Supercomputer Center (OSC) and 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. Work at NREL was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308. Y.Y. acknowledges the support from the Ohio Research Scholar Program (ORSP). NR 43 TC 35 Z9 35 U1 8 U2 10 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD JAN PY 2014 VL 4 IS 1 AR 1300712 DI 10.1002/aenm.201300712 PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA 302HN UT WOS:000330594600010 ER PT B AU Knote, C Hodzic, A Jimenez, JL Volkamer, R Orlando, JJ Baidar, S Brioude, J Fast, J Gentner, DR Goldstein, AH Hayes, PL Knighton, WB Oetjen, H Setyan, A Stark, H Thalman, RM Tyndall, G Washenfelder, R Waxman, E Zhang, Q AF Knote, Christoph Hodzic, Alma Jimenez, Jose L. Volkamer, Rainer Orlando, John J. Baidar, Sunil Brioude, Jerome Fast, Jerome Gentner, Drew R. Goldstein, Allen H. Hayes, Patrick L. Knighton, W. Berk Oetjen, Hilke Setyan, Ari Stark, Harald Thalman, Ryan M. Tyndall, Geoffrey Washenfelder, Rebecca Waxman, Eleanor Zhang, Qi BE Steyn, D Mathur, R TI Novel Pathways to Form Secondary Organic Aerosols: Glyoxal SOA in WRF/Chem SO AIR POLLUTION MODELING AND ITS APPLICATION XXIII SE Springer Proceedings in Complexity LA English DT Proceedings Paper CT 33rd International Technical Meeting (ITM) on Air Pollution Modelling and Its Application CY AUG 27-31, 2013 CL US Environm Protect Agcy, Miami, FL SP Univ British Columbia, Environm Canada HO US Environm Protect Agcy ID MULTIPHASE CHEMISTRY; AQUEOUS PARTICLES; MODEL; FRAMEWORK AB Current approaches to simulate secondary organic aerosols (SOA) in regional and global numerical models are based on parameterizations of the oxidation of precursor gases in the gas-phase and subsequent partitioning into particles. Recent findings suggest however that formation in the aqueous-phase of aerosols might contribute substantially to ambient SOA load. In this work we investigate the contribution of glyoxal to SOA through chemical processes associated with aerosols. Both a very simple and a more explicit mechanism of SOA formation from glyoxal was included in the regional chemistry transport model WRF/Chem. We simulated the first 2 weeks of June 2010 over the domain of California to make use of the extensive dataset collected during the CARES/CalNex field campaigns to evaluate our simulations. Contributions to total SOA mass were found to range from 1 to 15 % in the LA basin, and < 1 to 9 % in the isoprene-rich eastern slopes of the Central Valley. We find that the simple approach previously used in box as well as global modeling studies gives the highest contributions. A combination of reversible partitioning and volume pathways can provide comparable amounts only if partitioning of glyoxal into the aerosol liquid-phase is instantaneous. C1 [Knote, Christoph; Hodzic, Alma; Orlando, John J.; Tyndall, Geoffrey] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. [Jimenez, Jose L.; Volkamer, Rainer; Baidar, Sunil; Hayes, Patrick L.; Oetjen, Hilke; Thalman, Ryan M.; Waxman, Eleanor] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Jimenez, Jose L.; Volkamer, Rainer; Baidar, Sunil; Brioude, Jerome; Hayes, Patrick L.; Stark, Harald; Thalman, Ryan M.; Washenfelder, Rebecca; Waxman, Eleanor] Univ Colorado, CIRES, Boulder, CO 80309 USA. [Hayes, Patrick L.] Univ Montreal, Dept Chim, Montreal, PQ, Canada. [Brioude, Jerome; Washenfelder, Rebecca] NOAA, Div Chem Sci, Earth Syst Res Lab, Boulder, CO USA. [Fast, Jerome] Pacific Northwest Natl Lab, Richland, WA USA. [Gentner, Drew R.; Goldstein, Allen H.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Goldstein, Allen H.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. [Knighton, W. Berk] Montana State Univ, Bozeman, MT 59717 USA. [Setyan, Ari; Zhang, Qi] Univ Calif Davis, Dept Environm Toxicol, Davis, CA 95616 USA. [Stark, Harald] Aerodyne Res Inc, Billerica, MA USA. RP Knote, C (reprint author), Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. EM knote@ucar.edu; alma@ucar.edu RI Setyan, Ari/C-4025-2011 OI Setyan, Ari/0000-0002-9078-6478 NR 13 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-3-319-04379-1; 978-3-319-04378-4 J9 SPRINGER PR COMPLEX PY 2014 BP 149 EP 154 DI 10.1007/978-3-319-04379-1__24 PG 6 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA BG8LE UT WOS:000392403800024 ER PT J AU Jacob, RE Lamm, WJ Krueger, M Einstein, DR Corley, RA Glenny, RW AF Jacob, R. E. Lamm, W. J. Krueger, M. Einstein, D. R. Corley, R. A. Glenny, R. W. TI Comparison Of Ventilation Patterns From 4dct And Inhaled Particle Deposition In Healthy And Elastase-Treated Rats SO AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE LA English DT Meeting Abstract C1 [Jacob, R. E.; Einstein, D. R.; Corley, R. A.] Pacific Northwest Natl Lab, Richland, WA USA. [Jacob, R. E.; Lamm, W. J.; Krueger, M.; Glenny, R. W.] Univ Washington, Seattle, WA 98195 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER THORACIC SOC PI NEW YORK PA 25 BROADWAY, 18 FL, NEW YORK, NY 10004 USA SN 1073-449X EI 1535-4970 J9 AM J RESP CRIT CARE JI Am. J. Respir. Crit. Care Med. PY 2014 VL 189 MA A2394 PG 1 WC Critical Care Medicine; Respiratory System SC General & Internal Medicine; Respiratory System GA V45TF UT WOS:000209838201553 ER PT J AU Minard, KR Colby, SM Einstein, DR Corley, RA Fessler, JA AF Minard, K. R. Colby, S. M. Einstein, D. R. Corley, R. A. Fessler, J. A. TI Development And Testing Of 4d Mri For Measuring Regional Lung Mechanics With High Spatiotemporal Resolution SO AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE LA English DT Meeting Abstract C1 [Minard, K. R.; Colby, S. M.; Einstein, D. R.; Corley, R. A.] Pacific Northwest Natl Lab, Richland, WA USA. [Minard, K. R.; Fessler, J. A.] Univ Michigan, Ann Arbor, MI 48109 USA. EM kevin.minard@pnnl.gov NR 0 TC 1 Z9 1 U1 0 U2 0 PU AMER THORACIC SOC PI NEW YORK PA 25 BROADWAY, 18 FL, NEW YORK, NY 10004 USA SN 1073-449X EI 1535-4970 J9 AM J RESP CRIT CARE JI Am. J. Respir. Crit. Care Med. PY 2014 VL 189 MA A4318 PG 2 WC Critical Care Medicine; Respiratory System SC General & Internal Medicine; Respiratory System GA V45TF UT WOS:000209838203672 ER PT J AU Morrow, DK Evans, RL Davies, MH Jacob, RE AF Morrow, D. K. Evans, R. L. Davies, M. H. Jacob, R. E. TI Comparison Of Automated And Manual Measurement Of Septal Wall Thickness In Lung Histology Images SO AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE LA English DT Meeting Abstract C1 [Morrow, D. K.; Davies, M. H.] Oregon Hlth & Sci Univ, Portland, OR 97201 USA. [Evans, R. L.; Jacob, R. E.] Pacific Northwest Natl Labs, Richland, WA USA. EM morrowd@ohsu.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER THORACIC SOC PI NEW YORK PA 25 BROADWAY, 18 FL, NEW YORK, NY 10004 USA SN 1073-449X EI 1535-4970 J9 AM J RESP CRIT CARE JI Am. J. Respir. Crit. Care Med. PY 2014 VL 189 MA A2378 PG 1 WC Critical Care Medicine; Respiratory System SC General & Internal Medicine; Respiratory System GA V45TF UT WOS:000209838201537 ER PT J AU Leong, GJ Schulze, MC Strand, MB Maloney, D Frisco, SL Dinh, HN Pivovar, B Richards, RM AF Leong, G. Jeremy Schulze, Maxwell C. Strand, Matthew B. Maloney, David Frisco, Sarah L. Dinh, Huyen N. Pivovar, Bryan Richards, Ryan M. TI Shape-directed platinum nanoparticle synthesis: nanoscale design of novel catalysts SO APPLIED ORGANOMETALLIC CHEMISTRY LA English DT Review DE platinum; nanoparticle; shape control; catalysis; cube; octahedra; cuboctahedra; template; size control; nanomaterials ID OXYGEN REDUCTION REACTION; NOBLE-METAL NANOCRYSTALS; METHANOL FUEL-CELLS; DEPENDENT ELECTROCATALYTIC ACTIVITY; FORMIC-ACID ELECTROOXIDATION; RAY-ABSORPTION SPECTROSCOPY; SUM-FREQUENCY GENERATION; SEED-MEDIATED GROWTH; HIGH-INDEX FACETS; CARBON NANOTUBES AB Platinum-based catalytic materials have received significant attention, particularly in the shape and size control of faceted materials for catalysis. More recently, there has been a rapid increase in the number of reports of successful preparations in this field; however, a fundamental understanding of controlled growth towards catalytic material design is essential for future implementation and broad application. In this review, we provide an overview of the recent findings reported since 2009, focusing on methods for shape control as well as the effects of exposed surface facets on select catalytic reactions. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Leong, G. Jeremy; Schulze, Maxwell C.; Strand, Matthew B.; Maloney, David; Frisco, Sarah L.; Richards, Ryan M.] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. [Leong, G. Jeremy; Dinh, Huyen N.; Pivovar, Bryan] Natl Renewable Energy Lab, Hydrogen Technol & Syst Ctr, Golden, CO 80401 USA. RP Richards, RM (reprint author), Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. EM rrichard@mines.edu RI Richards, Ryan/B-3513-2008 NR 208 TC 19 Z9 19 U1 22 U2 211 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0268-2605 EI 1099-0739 J9 APPL ORGANOMET CHEM JI Appl. Organomet. Chem. PD JAN PY 2014 VL 28 IS 1 BP 1 EP 17 DI 10.1002/aoc.3048 PG 17 WC Chemistry, Applied; Chemistry, Inorganic & Nuclear SC Chemistry GA 269FI UT WOS:000328226600001 ER PT B AU Choudhary, A Roy, CJ Dietiker, JF Shahnam, M Garg, R AF Choudhary, Aniruddha Roy, Christopher J. Dietiker, Jean-Francois Shahnam, Mehrdad Garg, Rahul GP ASME TI CODE VERIFICATION FOR MULTIPHASE FLOWS USING THE METHOD OF MANUFACTURED SOLUTIONS SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1C: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div DE Multiphase; Code verification; Method of manufactured solutions; MFIX ID COMPUTATIONAL FLUID-DYNAMICS; VALIDATION; SIMULATION AB Code verification is the process of ensuring, to the degree possible, that there are no algorithm deficiencies and coding mistakes (bugs) in a computational fluid dynamics (CFD) code. In order to perform code verification, the Method of Manufactured Solutions (MMS) is a rigorous technique that can be used in the absence of exact solution to the problem. This work addresses major aspects of performing code verification for multiphase flow codes using the open-source, multiphase flow code MFIX which employs a staggered-grid and a modified SIMPLE-based algorithm. Code verification is performed on 2D and 3D, uniform and stretched meshes for incompressible, steady and unsteady, single-phase and two-phase flows using the two-fluid model of MFIX. Currently, the algebraic gas-solid exchange terms are neglected as these can be tested via unit-testing. The no-slip wall, free-slip wall, and pressure outflow boundary conditions are verified for 2D and 3D flows. A newly-developed curl-based manufactured solution for 3D divergence free flows is introduced. Temporal order of accuracy during unsteady calculations is also assessed. Techniques are introduced to generate manufactured solutions that satisfy the divergence-free constraint during the verification of the incompressible governing equations. Manufactured solutions with constraints due to boundary conditions as well as due to divergence-free flow are derived in order to verify the boundary conditions. Use of staggered grid and SIMPLE-based algorithm for numerical computations inMFIX requires specific issues to be addressed while performing MMS-based code verification. Lessons learned during this code verification exercise are discussed. C1 [Choudhary, Aniruddha; Roy, Christopher J.] Virginia Tech, Dept Aerosp & Ocean Engn, Blacksburg, VA 24061 USA. [Dietiker, Jean-Francois] West Virginia Univ, Corp Res, Morgantown, WV 26506 USA. [Shahnam, Mehrdad; Garg, Rahul] Natl Energy Technol Lab, Morgantown, WV 26506 USA. RP Choudhary, A (reprint author), Virginia Tech, Dept Aerosp & Ocean Engn, Blacksburg, VA 24061 USA. EM anirudd@vt.edu NR 31 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4623-0 PY 2014 AR V01CT23A010 PG 14 WC Engineering, Mechanical SC Engineering GA BF0YH UT WOS:000379884400073 ER PT B AU Crandall, D Gill, M Moore, J Kutchko, B AF Crandall, Dustin Gill, Magdalena Moore, Johnathan Kutchko, Barbara GP ASME TI FOAMED CEMENT ANALYSIS WITH COMPUTED TOMOGRAPHY SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1C: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div ID IMAGE SEGMENTATION AB Foamed cements are widely used for cementing oil or gas wells that require lightweight slurries, gas migration prevention, or wells in high-stress environments. When this manufactured slurry solidifies in the sub-surface environment the distribution of gas voids can affect the resultant strength, permeability, and stability of the wellbore casing. Researchers at the National Energy Technology Laboratory have produced the first high resolution X-ray computed tomography (CT) three-dimensional images of atmospheric and field generated foamed cement across a range of foam qualities. CT imaging enabled the assessment and quantification of the foamed cement structure, quality, and bubble size distribution in order to provide a better understanding of this cement. Ultimately, this research will provide industry the knowledge to ensure long-term well integrity and safe operation of wells in which foamed cements are used. Initial results show that a systematic technique for isolating air voids can give consistent results from the image data, laboratory generated foamed cements tend to be uniform, and that high-gas fraction foamed cements have large interconnected void spaces. C1 [Crandall, Dustin] Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Gill, Magdalena] URS, Morgantown, WV 26507 USA. [Moore, Johnathan] Oak Ridge Inst Sci & Educ, Morgantown, WV 26507 USA. [Kutchko, Barbara] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Crandall, D (reprint author), Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM Dustin.Crandall@netl.doe.gov; Magdalena.Gill@contr.netl.doe.gov; Jonathan.Moore@contr.netl.doe.gov; Barbara.Kutchko@netl.doe.gov NR 18 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4623-0 PY 2014 AR V01CT25A002 PG 9 WC Engineering, Mechanical SC Engineering GA BF0YH UT WOS:000379884400088 ER PT B AU Crandall, D Wen, H Li, L Hakala, A AF Crandall, Dustin Wen, Hang Li, Li Hakala, Alexandra GP ASME TI REACTIVE GEOCHEMICAL FLOW MODELING WITH CT SCANNED ROCK FRACTURES SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1C: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div ID QUARTZ DISSOLUTION KINETICS; MAGNESITE DISSOLUTION; HYDROTHERMAL SYSTEMS; TRANSPORT MODEL; POROUS-MEDIA; PERMEABILITY; RATES; WATER; PH; RESERVOIRS AB Obtaining quality three-dimensional geometries of fractures in a natural medium, such as rock, is a non-trivial task. This paper describes how several geothermal fractured rocks were scanned using computed tomography (CT), the reconstruction procedure to generate the three-dimensional (3D) geometry of the fractured rock, and the methodology for isolating the fracture from the CT scan. A conversion process to capture the relevant geometric features of the fracture is then discussed. The scanned aperture distribution was then used to simulate the reactive flow and transport processes using a reactive transport code CrunchFlow. The accurate use of CT images in fluid flow models within complex structures allows detailed understanding on how the aperture distribution affects mineral dissolution and fracture property evolution during the EGS process. Our preliminary simulation results show the formation of the preferential flow in zones with larger apertures, which led to higher calcite dissolution rates and even larger aperture size over time in these zones. Because calcite only occupied 10% of the solid phase, its dissolution did not completely open up the aperture because other relatively non reactive minerals (clay and quartz) remained. The traditional measure of mechanical aperture could not take into account the partial increase in void space in the rock matrix and underestimated the increase in average aperture. The chemical and hydraulic apertures, which explicitly take into account changes in mineral volumes in the rock matrix, relate better to the overall change in the effective permeability of the sample. C1 [Crandall, Dustin] Natl Energy Technol Lab, Predict Geosci Div, Morgantown, WV 26507 USA. [Wen, Hang; Li, Li] Penn State Univ, Coll Earth & Mineral Sci, University Pk, PA 16801 USA. [Hakala, Alexandra] Natl Energy Technol Lab, Engn Nat Syst Div, Pittsburgh, PA 15236 USA. RP Crandall, D (reprint author), Natl Energy Technol Lab, Predict Geosci Div, Morgantown, WV 26507 USA. EM Dustin.Crandall@netl.doe.gov; hzw122@psu.edu; lili@eme.psu.edu; Alexandra.Hakala@netl.doe.gov NR 47 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4623-0 PY 2014 AR V01CT24A004 PG 10 WC Engineering, Mechanical SC Engineering GA BF0YH UT WOS:000379884400083 ER PT B AU Fedorov, SS Gubynskyi, MV Barsukov, IV Livitan, MV Gogotsi, OG Rohatgi, US AF Fedorov, Sergey S. Gubynskyi, Mykhailo V. Barsukov, Igor V. Livitan, Mykola V. Gogotsi, Oleksiy G. Rohatgi, Upendra Singh GP ASME TI Modeling the Operation Regimes in Ultra-high Temperature Continuous Reactors SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1C: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div AB The main advantage of carbon material treatment in electro-thermal furnaces with fluidized bed [EFFB] at 2000-3000C is that they allow producing graphite of high chemical purity, which is especially important in manufacture of ion-lithium batteries. The team conducted extensive research into hydraulic and heat modes of such units and developed a methodology for their design based on the concept of increase in electric resistance with fluidization. The choice of the working space configuration and the operation mode of EFFB are largely determined by the specific electrical resistance [SER] of the fluidized bed. This parameter is a complex function of a number of factors: fluidization character, uniformity of the bed and the temperature, nature and size of the material fractions, current density and furnace atmosphere composition. It is vital to take into account relationships between SER, working temperature T and current density i, which eventually define electrothermal mode of the unit operation. Thus, if graphite size is d = 130pm within temperature range T = 0-2500C and current density i = 0,004-1.0 A/cm2, SER varies in reverse proportion to these parameters Statistic processing of the experimental data C1 [Fedorov, Sergey S.; Gubynskyi, Mykhailo V.; Livitan, Mykola V.] Natl Met Acad Ukraine, Dnepropetrovsk, Ukraine. [Barsukov, Igor V.] Amer Energy Technol, Arlington Hts, IL USA. [Gogotsi, Oleksiy G.] Mat Res Ctr Ltd, Kiev, Ukraine. [Rohatgi, Upendra Singh] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Fedorov, SS (reprint author), Natl Met Acad Ukraine, Dnepropetrovsk, Ukraine. NR 39 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4623-0 PY 2014 AR V01CT18A012 PG 16 WC Engineering, Mechanical SC Engineering GA BF0YH UT WOS:000379884400063 ER PT B AU Francois, MM Lo, LT Sewell, C AF Francois, Marianne M. Lo, Li-Ta Sewell, Christopher GP ASME TI VOLUME-OF-FLUID INTERFACE RECONSTRUCTION ALGORITHMS ON NEXT-GENERATION COMPUTER ARCHITECTURES SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1C: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div AB With the increasing heterogeneity and on-node parallelism of high-performance computing hardware, a major challenge to computational physicists is to work in close collaboration with computer scientists to develop portable and efficient algorithms and software. The objective of our work is to implement a portable code to perform interface reconstruction using NVIDIA's Thrust library. Interface reconstruction is a technique commonly used in volume tracking methods for simulations of interfacial flows. For that, we have designed a two-dimensional mesh data structure that is easily mapped to the 1D vectors used by Thrust and at the same time is simple to work with using familiar data structures terminology (such as cell, vertices and edges). With this new data structure in place, we have implemented a recursive volume-of-fluid initialization algorithm and a standard piecewise interface reconstruction algorithm. Our interface reconstruction algorithm makes use of a table look-up to easily identify all intersection cases, as this design is efficient on parallel architectures such as GPUs. Finally, we report performance results which show that a single implementation of these algorithms can be compiled to multiple backends (specifically, multi-core CPUs, NVIDIA GPUs, and Intel Xeon Phi coprocessors), making efficient use of the available parallelism on each. C1 [Francois, Marianne M.] Los Alamos Natl Lab, Fluid Dynam & Solid Mech T3, Los Alamos, NM 87545 USA. [Lo, Li-Ta; Sewell, Christopher] Los Alamos Natl Lab, Appl Comp Sci Data Sci CCS7, Scale Team, Los Alamos, NM 87545 USA. RP Francois, MM (reprint author), Los Alamos Natl Lab, Fluid Dynam & Solid Mech T3, Los Alamos, NM 87545 USA. NR 9 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4623-0 PY 2014 AR V01CT23A014 PG 6 WC Engineering, Mechanical SC Engineering GA BF0YH UT WOS:000379884400077 ER PT B AU Ward, P Hassan, Y Merzari, E Fischer, P AF Ward, P. Hassan, Y. Merzari, E. Fischer, P. GP ASME TI DIRECT NUMERICAL SIMULATION AND LINEAR STABILITY ANALYSIS OF THE FLOW IN A PEBBLE BED SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1C: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div AB The flow in a tightly packed array of spheres is important to various engineering fields. In nuclear engineering applications, for instance, researchers have proposed core geometries of the pebble bed reactor (PBR) type cooled by gas or molten salt. Proper core cooling, both at operation and during accident conditions, is a key issue that must be addressed in any reactor design; and the limited amount of data available for the complicated geometry of PBR cores makes this task even more complex. A detailed understanding of coolant flow patterns and properties must be developed in order to meet safety requirements and ensure core longevity. We address this issue by using the spectral-element computational fluid dynamics code Nek5000, developed at Argonne National Laboratory, to conduct both large eddy simulation (LES) and direct numerical simulation (DNS) of fluid flow through a single face-centered cubic sphere lattice with periodic boundary conditions. Moreover, a statistical analysis of the flow field and a global linear stability analysis of the laminar flow were performed in order to investigate the mechanism of laminar-turbulent transition in this geometry. One of the main objectives of the present study is, in fact, to determine how the Reynolds number affects the development of asymmetries within the flow patterns. C1 [Ward, P.; Hassan, Y.] Texas A&M Univ, College Stn, TX 77843 USA. [Merzari, E.; Fischer, P.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Ward, P (reprint author), Texas A&M Univ, College Stn, TX 77843 USA. NR 11 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4623-0 PY 2014 PG 10 WC Engineering, Mechanical SC Engineering GA BF0YH UT WOS:000379884400012 ER PT B AU Phillips, TB Senocak, I Gentle, JP Myers, KS Anderson, P AF Phillips, Tyler B. Senocak, Inanc Gentle, Jake P. Myers, Kurt S. Anderson, Phil GP ASME TI INVESTIGATION OF A DYNAMIC POWER LINE RATING CONCEPT FOR IMPROVED WIND ENERGY INTEGRATION OVER COMPLEX TERRAIN SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1D: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div ID LARGE-EDDY SIMULATIONS AB Dynamic Line Rating (DLR) is a smart grid technology that allows the rating of power line conductor to be based on its real-time temperature. Currently, conductors are generally given a conservative static rating based on near worst case weather conditions. Using historical weather data collected over a test bed area in Idaho, we demonstrate there is often additional transmission capacity not being utilized under the current static rating practice. We investigate a DLR method that employs computational fluid dynamics (CFD) to determine wind conditions along transmission lines in dense intervals. Simulated wind conditions are then used to calculate real-time conductor temperature under changing weather conditions. In calculating the conductor temperature and then inferring the ampacity, we use both a steady-state and transient calculation procedure. Under low wind conditions, the steady-state assumption predicts higher conductor temperatures which could lead to unnecessary curtailments, whereas the transient calculations produce temperatures that can be significantly lower, implying the availability of additional transmission capacity. Equally important, we demonstrate that capturing the wind direction variability in the simulations is critical in estimating conductor temperatures accurately. C1 [Phillips, Tyler B.; Senocak, Inanc] Boise State Univ, Boise, ID 83725 USA. [Gentle, Jake P.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Myers, Kurt S.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Anderson, Phil] Idaho Power Co, Boise, ID 83702 USA. RP Phillips, TB (reprint author), Boise State Univ, Boise, ID 83725 USA. EM TylerPhillips1@u.boisestate.edu; Senocak@boisestate.edu; Jake.Gentle@inl.gov; Kurt.Myers@inl.gov; PAnderson2@idahopower.com NR 24 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4624-7 PY 2014 AR V01DT39A005 PG 10 WC Engineering, Mechanical SC Engineering GA BF0YI UT WOS:000379884600079 ER PT B AU Tomboulides, A Aithal, SM Fischer, PF Merzari, E Obabko, A AF Tomboulides, A. Aithal, S. M. Fischer, P. F. Merzari, E. Obabko, A. GP ASME TI A NOVEL VARIANT OF THE K-omega URANS MODEL FOR SPECTRAL ELEMENT METHODS - IMPLEMENTATION, VERIFICATION AND VALIDATION IN NEK5000 SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1D: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div ID FLOW AB Unsteady Reynolds-averaged Navier-Stokes (uRANS) models can provide good engineering estimates of wall shear and heat flux at a significantly lower computational cost compared with LES simulations. In this paper, we discuss the implementation of two novel variants of the k-omega turbulence model, the regularized k-omega standard and the regularized k-omega SST model, in a spectral element code, Nek5000. We present formulation for the specific dissipation rate (omega) in the standard k-omega model, which would obviate the need for ad hoc boundary conditions of omega on the wall. The regularized approach is designed to lead to grid-independent solutions as resolution is increased. We present a detailed comparison of these novel methods for various standard problems including the T-junction benchmark problem. The two approaches presented in this work compare very well with the standard k-omega model and experimental data for all the cases studied. C1 [Tomboulides, A.; Aithal, S. M.; Fischer, P. F.; Merzari, E.; Obabko, A.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Tomboulides, A.] Univ Western Macedonia, Kozani, Greece. RP Tomboulides, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 22 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4624-7 PY 2014 PG 11 WC Engineering, Mechanical SC Engineering GA BF0YI UT WOS:000379884600023 ER PT B AU Wu, WT Aubry, N Antaki, JF Massoudi, M AF Wu, Wei-Tao Aubry, Nadine Antaki, James F. Massoudi, Mehrdad GP ASME TI STUDY OF BLOOD FLOW IN MICRO-CHANNELS USING MIXTURE THEORY SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1D: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div C1 [Wu, Wei-Tao] Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA. [Aubry, Nadine] Northeastern Univ, Dept Mech Engn, Boston, MA 02115 USA. [Antaki, James F.] Carnegie Mellon Univ, Dept Biomed Engn, Pittsburgh, PA 15213 USA. [Massoudi, Mehrdad] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Wu, WT (reprint author), Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA. NR 5 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4624-7 PY 2014 AR V01DT38A006 PG 9 WC Engineering, Mechanical SC Engineering GA BF0YI UT WOS:000379884600073 ER PT B AU Bamberger, JA Enderlin, CW AF Bamberger, Judith Ann Enderlin, Carl W. GP ASME TI INSTRUMENTATION TO MONITOR TRANSIENT DEVELOPING PERIODIC FLOW IN NEWTONIAN SLURRIES SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 2: FORA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div ID VELOCITY; DENSITY AB This paper describes measurement techniques developed and applied to assess solids mobilization and mixing of Newtonian slurries that are subjected to transient, periodic, developing flows. Metrics to characterize mobilization and mixing are the just suspended velocity (U-JS) and the cloud height (H-C). Two ultrasonic instruments to characterize intermittent mixing of slurries were developed and deployed to measure related metrics: the thickness of the settled bed (used to determine mobilization) and the concentration within the cloud as a function of elevation [C(Z)]. A second method measured average density and monitored the concentration within the cloud using a continuous, circulating sample line with an inline Coriolis meter to measure bulk density. Testing focused on mixing vessels using intermittent jet mixers oriented vertically downward. Descriptions of the instruments and instrument performance are presented. These techniques were an effective approach to characterize mixing phenomena, determine mixing energy required to fully mobilize vessel contents, and to determine mixing times for process evaluation. C1 [Bamberger, Judith Ann; Enderlin, Carl W.] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Bamberger, JA (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. NR 17 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4626-1 PY 2014 AR V002T11A010 PG 10 WC Engineering, Mechanical; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA BF0YG UT WOS:000379884300025 ER PT B AU Chelliah, K Raman, G Muehleisen, RT AF Chelliah, Kanthasamy Raman, Ganesh Muehleisen, Ralph T. GP ASME TI LEAKAGE DETECTION TECHNIQUES USING NEARFIELD ACOUSTIC HOLOGRAPHY SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 2: FORA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div ID BOUNDARY-ELEMENT METHOD; FIELD; RECONSTRUCTION AB This paper attempts to explore the possibilities of using various methods of nearfield acoustic holography (NAH) to detect the air/sound leakages from a container by locating the noise sources. The detection capabilities of three different NAH methods are compared. An acoustic source is placed inside the container and the hologram measurement is pet formed near the surface of the container. The NAH methods are applied on the hologram data to detect and quantify the leakage locations. Reconstructed acoustic pressure and particle velocity results are presented. NAH algorithms are found to work better for the higher input frequency cases. Tikhonov regularization is used to alleviate the singularity in the transformation matrices. However, generalized cross validation over-predicts the Tikhonov parameter for the present geometry. The resolution limitations of the NAH methods with respect to the hologram distance are addressed. C1 [Chelliah, Kanthasamy; Raman, Ganesh] IIT, Fluid Dynam Res Ctr, Dept Mech Mat & Aerosp Engn, Chicago, IL 60616 USA. [Muehleisen, Ralph T.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. RP Chelliah, K (reprint author), IIT, Fluid Dynam Res Ctr, Dept Mech Mat & Aerosp Engn, Chicago, IL 60616 USA. EM kchellia@hawk.iit.edu NR 20 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4626-1 PY 2014 AR V002T11A003 PG 15 WC Engineering, Mechanical; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA BF0YG UT WOS:000379884300018 ER PT B AU Lomperski, S Gerardi, C AF Lomperski, Steve Gerardi, Craig GP ASME TI ASSESSMENT OF DISTRIBUTED FIBER OPTIC SENSORS FOR FLOW FIELD TEMPERATURE MAPPING SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 2: FORA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div ID INFRARED THERMOGRAPHY; CAMERA; PIV AB Distributed fiber optic temperature sensing based on Rayleigh scattering is a relatively new technique offering data density unachievable with point sensors such as thermocouples and RTDs. Thousands of temperature measurements can be generated by a single fiber optic cable suspended within a flow field. And unlike imaging techniques such as laser induced fluorescence, fiber optic sensors are suitable for applications involving opaque fluids. But verifying measurement accuracy along a distributed temperature sensor (DTS) can be problematic. Unlike traditional sensors such as thermocouples, DTS calibration shifts can accompany sensor handling or movement because they respond to strain as well as temperature. This paper describes an assessment of a Rayleigh scattering-based sensing system used to measure air temperature within a 1 x 1 x 1.7 m tank used for thermal mixing experiments. Two 40 m-long DTSs were strung across the tank midplane at 16 levels. Stability in stagnant air was examined over seven days and found to be generally better than +/- 0.5 degrees C with local regions of drift up to 1.5 degrees C. DTSs were also tested in isothermal flow to assess signal degradation associated with flow-induced vibration. Noise increased with flow velocity, inducing data loss that grew with distance along the fiber. Despite data losses >50% in high noise regions, mean temperatures after simple filtering agreed with low noise regions to within similar to 4 degrees C. C1 [Lomperski, Steve; Gerardi, Craig] Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Lomperski, S (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 17 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4626-1 PY 2014 AR V002T11A011 PG 8 WC Engineering, Mechanical; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA BF0YG UT WOS:000379884300026 ER PT B AU Wendel, M Geoghegan, P Felde, D AF Wendel, Mark Geoghegan, Patrick Felde, David GP ASME TI SIMULATION AND MOCKUP OF SNS JET-FLOW TARGET WITH WALL JET FOR CAVITATION DAMAGE MITIGATION SO ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 2: FORA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div AB Pressure waves created in liquid mercury targets at the pulsed Spallation Neutron Source (SNS) at Oak Ridge National Laboratory induce cavitation damage on the stainless steel target vessel. The cavitation damage is thought to limit the lifetime of the target for power levels at and above 1 MW. Severe through-wall cavitation damage on an internal wall near the beam entrance window has been observed in spent-targets. Surprisingly though, there is very little damage on the walls that bound an annular mercury channel that wraps around the front and outside of the target. The mercury flow through this channel is characterized by smooth, attached streamlines. One theory to explain this lack of damage is that the uni-directional flow biases the direction of the collapsing cavitation bubble, reducing the impact pressure and subsequent damage. The theory has been reinforced by inbeam separate effects data. For this reason, a second-generation SNS mercury target has been designed with an internal wall jet configuration intended to protect the concave wall where damage has been observed. The wall jet mimics the annular flow channel streamlines, but since the jet is bounded on only one side, the momentum is gradually diffused by the bulk flow interactions as it progresses around the cicular path of the target nose. Numerical simulations of the flow through this jet-flow target have been completed, and a water loop has been assembled with a transparent test target. in order to visualize and measure the flow field. This paper presents the wall jet simulation results, as well as early experimental data from the test loop. C1 [Wendel, Mark; Geoghegan, Patrick; Felde, David] Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Wendel, M (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM wendelmw@ornl.gov; geogheganpj@ornl.gov; feldedk@ornl.gov NR 14 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4626-1 PY 2014 AR V002T06A001 PG 9 WC Engineering, Mechanical; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA BF0YG UT WOS:000379884300001 ER PT B AU Carter, P Jetter, RI Sham, TL AF Carter, Peter Jetter, R. I. Sham, T. -L. (Sam) BE Xu, SX Hojo, K Hasegawa, K TI VERIFICATION OF ELASTIC-PERFECTLY PLASTIC METHODS FOR EVALUATION OF STRAIN LIMITS - ANALYTICAL COMPARISONS SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 1 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div ID CYCLIC REFERENCE STRESSES; RUPTURE; CREEP AB The current rules in Subsection NH for the evaluation of strain limits and creep-fatigue damage using simplified methods based on elastic analysis have been deemed inappropriate for Alloy 617 at temperatures above 1200 degrees F (650 degrees C) because, at higher temperatures, it is not feasible to decouple plasticity and creep; which is the basis for the current simplified rules. To address this issue, proposed code rules have been developed which are based on the use of elastic-perfectly plastic analysis methods and which are expected to be applicable to very high temperatures. The proposed rules are based on the use of an elastic-perfectly plastic material model with a pseudo yield strength selected to ensure that the accumulated strain and creep-fatigue damage with meeting the currently specified limits in Subsection NH. For this phase of the verification process, the proposed rules have been compared using simplified example problems to the results obtained from application of the current Subjection NH rules for both simplified methods and full inelastic analysis. The Subsection NH 316 stainless steel properties data are used for these comparisons. Results of calculations for a testing program underway on Alloy 617 at 950C are given. C1 [Carter, Peter] Stress Engn Serv Inc, Mason, OH 45040 USA. [Sham, T. -L. (Sam)] Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Sham, TL (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM shamt@ornl.gov NR 7 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4598-1 PY 2014 AR V001T01A007 PG 8 WC Engineering, Mechanical SC Engineering GA BF1AQ UT WOS:000380177600007 ER PT B AU Crawford, SL Prowant, MS Cinson, AD Larche, MR Diaz, AA Anderson, MT AF Crawford, Susan L. Prowant, Matthew S. Cinson, Anthony D. Larche, Michael R. Diaz, Aaron A. Anderson, Michael T. BE Xu, SX Hojo, K Hasegawa, K TI ULTRASONIC SOUND FIELD MAPPING THROUGH COARSE GRAINED CAST AUSTENITIC STAINLESS STEEL COMPONENTS SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 1 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB The Pacific Northwest National Laboratory (PNNL) has been involved with nondestructive examination of coarse grained cast austenitic stainless steel (CASS) components for over 30 years. More recent work has focused on mapping the ultrasonic sound fields generated by low-frequency phased array probes that are typically used for the evaluation of CASS materials for flaw detection and characterization. The casting process results in the formation of large-grained material microstructures that are nonhomogeneous and anisotropic. The propagation of ultrasonic energy for examination of these materials results in scattering, partitioning, and redirection of these sound fields. The work reported here provides an assessment of sound field formation in these materials and provides recommendations on ultrasonic inspection parameters for flaw detection in CASS components. Confirmatory research conducted at PNNL consisted of acquiring sound field data from four CASS components containing columnar, equiaxed, and banded grain structures, and a fine-grained wrought stainless steel specimen used for benchmarking. Phased-array probes with center frequencies of 0.5, 0.8, and 1.0 MHz were used for sound field formation, with a pinducer being raster scanned over the end of the specimen face to capture the sound field energy. Data were collected at multiple refracted and skew angles, and imaging performed for analyses. A 6.4-mm (0.25-in.) thick slice of material was removed from the end of the CASS components and the beam mapping repeated. This slicing and mapping sequence was performed three times to produce multiple beam images through the specimens. Grain sizes were also measured at each mapped specimen face and compared to sound field characteristics. The acquired sound field images were characterized in terms of beam redirection from the theoretical position, beam scatter or coherence, and partitioning. A comparison of the fine-grained beam data to the CASS data is made and conclusions are presented. C1 [Crawford, Susan L.; Prowant, Matthew S.; Cinson, Anthony D.; Larche, Michael R.; Diaz, Aaron A.; Anderson, Michael T.] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Crawford, SL (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. NR 5 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4598-1 PY 2014 AR V001T01A055 PG 6 WC Engineering, Mechanical SC Engineering GA BF1AQ UT WOS:000380177600055 ER PT B AU Hasegawa, K Li, YS Bezensek, B Hoang, PH Rathbun, HJ AF Hasegawa, Kunio Li, Yinsheng Bezensek, Bostjan Hoang, Phuong H. Rathbun, Howard J. BE Xu, SX Hojo, K Hasegawa, K TI TECHNICAL BASIS FOR APPLICATION OF COLLAPSE MOMENTS FOR LOCALLY THINNED PIPES SUBJECTED TO TORSION AND BENDING PROPOSED FOR ASME SECTION XI SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 1 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB Piping components in power plants may experience combined bending and torsion moments during operation. There is a lack of guidance for pipe evaluation for pipes with local wall thinning flaws under the combined bending and torsion moments. ASME B&PV Code Section XI Working Group is currently developing fully plastic bending pipe evaluation procedures for pressurized piping components containing local wall thinning subjected to combined torsion and bending moments. Using elastic fully plastic finite element analyses, plastic collapse bending moments under torsions were obtained for 4 (114.3) to 24 (609.6) inch (mm) diameter pipes with various local wall thinning flaw sizes. The objective of this paper is to introduce an equivalent moment, which combines torsion and bending moments by a vector summation, and to establish the applicable range of wall thinning lengths, angles and depths, where the equivalent moments are equal to pure bending moments. C1 [Li, Yinsheng] Japan Atom Energy Agcy, Tokai, Ibaraki 3191195, Japan. [Bezensek, Bostjan] Shell UK Ltd, Aberdeen AB12 3YF, Scotland. [Hoang, Phuong H.] Sargent & Lundy LLC, Chicago, IL 60603 USA. [Rathbun, Howard J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM kunioh@kzh.biglobe.ne.jp; li.yinsheng@jaea.go.jp; bostjan.bezensek@shell.com; phuong.h.hoang@sargentlundy.com; Rathbun4@llnl.gov NR 12 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4598-1 PY 2014 AR V001T01A017 PG 10 WC Engineering, Mechanical SC Engineering GA BF1AQ UT WOS:000380177600017 ER PT B AU Li, MM Soppet, WK Majumdar, S Natesan, K AF Li, Meimei Soppet, William K. Majumdar, Saurin Natesan, Ken BE Xu, SX Hojo, K Hasegawa, K TI Improving Creep-Fatigue Design Methodology for Advanced Ferritic-Martensitic Steels SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 1 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB Advanced materials are a critical element in the development of advanced sodium-cooled fast reactors. High temperature design methodology of advanced materials is an enabling reactor technology. Removal of unnecessary conservatism in design rules could lead to more flexibility in construction and operation of advanced sodium-cooled fast reactors. Developing mechanistic understanding and predictive models for long-term degradation phenomena such as creep fatigue are essential to the extrapolation of accelerated laboratory data to reactor environments with high confidence, and to improve the American Society of Mechanical Engineers (ASME) code rules. This paper examines the cyclic softening and stress relaxation responses and associated plastic damage accumulation for Grade 91 ferritic-martensitic steel. Creep fatigue experiments were conducted at 550 degrees C in strain controlled mode under various types of creep-fatigue loading conditions. Constitutive models were developed to describe the creep-fatigue interaction in G91. C1 [Li, Meimei; Soppet, William K.; Majumdar, Saurin; Natesan, Ken] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Li, MM (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 13 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4598-1 PY 2014 AR V001T01A008 PG 6 WC Engineering, Mechanical SC Engineering GA BF1AQ UT WOS:000380177600008 ER PT B AU Wang, YL Sham, TL Jetter, RI AF Wang, Yanli Sham, T. -L. (Sam) Jetter, R. I. BE Xu, SX Hojo, K Hasegawa, K TI THERMAL RATCHETING TEST RESULTS FOR ALLOY 617 SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 1 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB Alloy 617 has been selected as a reference material supporting the Very High Temperature Gas Cooled Reactor (VHTR). However, current simplified design methods in Subsection NH have been deemed inapplicable at very high temperatures because, at these conditions, it is not possible to decouple plasticity and creep which is the basis for the current methods. Also, the alternative use of inelastic analysis requires development and verification of material modeling at these very high temperatures. A test procedure has been developed and implemented to support verification of new simplified methods and material modeling of Alloy 617 at very high temperatures. The procedure is based on two bars tested in series using two coupled servo-controlled testing machines to achieve equal displacement and constant applied load, mimicking the behavior of a pressurized cylinder subjected to through wall thermal transients. The tests were conducted with a hold time at 950 degrees C. The bars were heated and cooled out of phase to generated thermal induced loading superimposed on a constant mean stress. The results are presented for different mean stress levels, heating and cooling rates, and thermal histories. C1 [Wang, Yanli; Sham, T. -L. (Sam)] Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. [Jetter, R. I.] RI Jetter Consulting, Pebble Beach, CA 93953 USA. RP Wang, YL (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM wangy3@ornl.gov; shamt@ornl.gov; bjetter@sbcglobal.net NR 6 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4598-1 PY 2014 AR V001T01A009 PG 10 WC Engineering, Mechanical SC Engineering GA BF1AQ UT WOS:000380177600009 ER PT B AU Moran, TL Anderson, MT Cinson, AD Crawford, SL Prowant, MS Nove, CA AF Moran, Traci L. Anderson, Michael T. Cinson, Anthony D. Crawford, Susan L. Prowant, Matthew S. Nove, Carol A. BE Simpson, KC Stang, DL Springer, WT Kwon, Y Hafner, RS TI USING PHASED ARRAY ULTRASONIC TESTING IN LIEU OF RADIOGRAPHY FOR ACCEPTANCE OF CARBON STEEL PLATE WELDS SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 5 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB The Pacific Northwest National Laboratory (PNNL) is conducting studies for the U.S. Nuclear Regulatory Commission (NRC) to assess the capability, effectiveness, and reliability of ultrasonic testing (UT) as a replacement method for radiographic testing (RT) for volumetric examination of nuclear power plant (NPP) components. This particular study focused on evaluating the use of phased-array (PA) UT on carbon steel plate welds. Welding fabrication flaws included a combination of planar and volumetric types; for example, incomplete fusion, lack of penetration, cracks, porosity, and slag inclusions. The examinations were conducted using PAUT techniques applied primarily for detection and flaw type characterization. This paper will discuss the results of using PAUT in lieu of RT for detection and classification of fabrication flaws in carbon steel plate welds. C1 [Moran, Traci L.; Anderson, Michael T.; Cinson, Anthony D.; Crawford, Susan L.; Prowant, Matthew S.] Pacific Northwest Natl Lab, Richland, WA 99352 USA. [Nove, Carol A.] US Nucl Regulatory Commiss, Rockville, MD USA. RP Moran, TL (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. NR 4 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4602-5 PY 2014 AR V005T10A007 PG 9 WC Engineering, Mechanical SC Engineering GA BF1BM UT WOS:000380290500028 ER PT B AU Cui, T Shao, G An, L Wang, W Chao, YJ Lam, PS Mendez-Torres, A AF Cui, T. Shao, G. An, L. Wang, W. Chao, Y. J. Lam, P. S. Mendez-Torres, A. BE Brongers, M Rudland, D TI TIME AND TEMPERATURE DEPENDENT PROPERTY OF A SENSOR CANDIDATE MATERIAL: POLYMER DERIVED CERAMICS (PDC) SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6A LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB The piezoresistivity and the micro fabrication capability have made the polymer derived ceramics (PDCs) an excellent candidate material for high temperature sensors. In this study, it was found that PDCs also exhibit creep and stress relaxation properties. Its electric resistance may change with time under certain loading conditions. In addition, the creep/stress relaxation rate is sensitive to temperature. It is demonstrated that even PDC materials have been processed at high temperatures and formed ceramic structure, they retain certain polymeric characteristics. Due to the piezoresistivity properties of PDC and its resilience to harsh environment, in particular, the predicted resistance to radiation field, the PDC based sensors are ideal for use as sensing media that can be deployed to important to safety (ITS) structures in nuclear systems, such as cooling water system and coolant pumps in light water reactors (LWRs). C1 [Cui, T.] Univ South Carolina, Dept Mech Engn, Columbia, SC 29208 USA. [Shao, G.; An, L.] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. [Wang, W.] Chinese Acad Sci, Guangzhou Inst Adv Technol, Nansha 511458, Guangdong, Peoples R China. [Chao, Y. J.] Tianjin Univ, Coll Mat Sci & Engn, Tianjin 300072, Peoples R China. [Chao, Y. J.] Univ South Carolina, Mech Engn, Columbia, SC 29121 USA. [Lam, P. S.; Mendez-Torres, A.] Savannah River Natl Lab, Aiken, SC 29803 USA. RP Cui, T (reprint author), Univ South Carolina, Dept Mech Engn, Columbia, SC 29208 USA. NR 4 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4603-2 PY 2014 AR V06AT06A005 PG 5 WC Engineering, Mechanical SC Engineering GA BF1BL UT WOS:000380290400005 ER PT B AU Jiang, H Wang, JAJ Wang, H AF Jiang, Hao Wang, Jy-An John Wang, Hong BE Brongers, M Rudland, D TI REVERSIBLE BENDING FATIGUE TESTING SYSTEM DESIGN CONCEPTS FOR SPENT FUEL VIBRATION INTEGRITY STUDY SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6A LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB The dynamic analyses of a reversible bending fatigue testing system designed for the spent nuclear fuel (SNF) vibration integrity study was presented in this paper. Different design concepts were evaluated to assist the U-frame tester development. A finite element analysis (FEA) based on the vertical test setup was established to simulate the U-frame test system dynamic performances. The FEA results provided general guideline on predicting the dynamic behaviors of U-frame bending fatigue system for testing SNF. The initial vertical test setup design concepts were investigated in detail and the associated deficiencies were also discussed in the paper. The horizontal test setup was also evaluated using FEA. Based on dynamic analysis results, the horizontal test setup with symmetric loading profile was recommended for developing a reversible U-frame bending fatigue testing system. C1 [Jiang, Hao; Wang, Jy-An John; Wang, Hong] Oak Ridge Natl Lab, Mat Sci & Technol Div, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Wang, JAJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM wangja@ornl.gov RI Wang, Hong/O-1987-2016 OI Wang, Hong/0000-0002-0173-0545 NR 7 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4603-2 PY 2014 AR V06AT06A022 PG 7 WC Engineering, Mechanical SC Engineering GA BF1BL UT WOS:000380290400022 ER PT B AU Jiang, H Wang, JAJ Wang, H AF Jiang, Hao Wang, Jy-An John Wang, Hong BE Brongers, M Rudland, D TI POTENTIAL IMPACT OF INTERFACIAL BONDING EFFICIENCY ON USED NUCLEAR FUEL VIBRATION INTEGRITY DURING NORMAL TRANSPORTATION SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6A LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB Finite element analysis (FEA) was used to investigate the impacts of interfacial bonding efficiency at pellet pellet and. pellet clad interfaces on surrogate of used nuclear fuel (UNF) vibration integrity. The FEA simulation results were also validated and benchmarked with reversible bending fatigue test results on surrogate rods consisting of stainless steel (SS) tubes with alumina-pellet inserts. Bending moments (M) are applied to the FEA models to evaluate the system responses of the surrogate rods. From the induced curvature, kappa, the flexural rigidity EI can be estimated as EI=M/kappa. The impacts of interfacial bonding efficiency include the moment carrying capacity distribution between pellets and clad and cohesion influence on the flexural rigidity of the surrogate rod system. The result also indicates that the immediate consequences of interfacial de-bonding are a load carrying capacity shift from the fuel pellets to the clad and a reduction of the composite rod flexural rigidity. Therefore, the flexural rigidity of the surrogate rod and the bending moment bearing capacity between the clad and fuel pellets are strongly dependent on the efficiency of interfacial bonding at the pellet pellet and pellet clad interfaces. FEA models will be further used to study UNF vibration integrity. C1 [Jiang, Hao; Wang, Jy-An John; Wang, Hong] Oak Ridge Natl Lab, Div Mat Sci & Technol, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Wang, JAJ (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM wangja@ornl.gov RI Wang, Hong/O-1987-2016 OI Wang, Hong/0000-0002-0173-0545 NR 4 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4603-2 PY 2014 AR V06AT06A021 PG 9 WC Engineering, Mechanical SC Engineering GA BF1BL UT WOS:000380290400021 ER PT B AU Lam, PS Sindelar, RL Duncan, AJ Adams, TM AF Lam, Poh-Sang Sindelar, Robert L. Duncan, Andrew J. Adams, Thad M. BE Brongers, M Rudland, D TI A FRAMEWORK TO DEVELOP FLAW ACCEPTANCE CRITERIA FOR STRUCTURAL INTEGRITY ASSESSMENT OF MULTIPURPOSE CANISTERS FOR EXTENDED STORAGE OF USED NUCLEAR FUEL SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6A LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB A multipurpose canister (MPC) made of austenitic stainless steel is loaded with used nuclear fuel assemblies and is part of the transfer cask system to move the fuel from the spent fuel pool to prepare for storage, and is part of the storage cask system for on-site dry storage. This weld-sealed canister is also expected to be part of the transportation package following storage. The canister may be subject to service-induced degradation especially if exposed to aggressive environments during possible very long-term storage period if the permanent "repository is yet to be identified and readied. Stress corrosion cracking may be initiated on the canister surface in the welds or in the heat affected zone because the construction of MPC does not require heat treatment for stress relief. An acceptance criteria methodology is being developed for flaw disposition should the crack-like defects be detected by periodic Inservice Inspection. The external loading cases include thermal accident scenarios and cask drop conditions with the contribution from the welding residual stresses. The determination of acceptable flaw size is based on the procedure to evaluate flaw stability provided by American Petroleum Institute (API) 579 Fitness-for-Service (Second Edition). The material mechanical and fracture properties for base and weld metals and the stress analysis results are obtained from the open literature such as NUREG-1864. Subcritical crack growth from stress corrosion cracking (SCC), and its impact on inspection intervals and acceptance criteria, is not addressed. C1 [Lam, Poh-Sang; Sindelar, Robert L.; Duncan, Andrew J.; Adams, Thad M.] Savannah River Natl Lab, Mat Sci & Technol, Aiken, SC 29808 USA. RP Lam, PS (reprint author), Savannah River Natl Lab, Mat Sci & Technol, Aiken, SC 29808 USA. EM ps.lam@srnl.doe.gov; robert.sindelar@srnl.doe.gov; andrew.duncan@srnl.doe.gov; thad.adams@srnl.doe.gov NR 12 TC 0 Z9 0 U1 2 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4603-2 PY 2014 AR V06AT06A019 PG 7 WC Engineering, Mechanical SC Engineering GA BF1BL UT WOS:000380290400019 ER PT B AU Lu, WY Jin, H AF Lu, Wei-Yang Jin, Helena BE Brongers, M Rudland, D TI AN EXPERIMENTAL STUDY OF DUCTILE FAILURE UNDER MULTI-AXIAL LOADING SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6A LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div ID FRACTURE; SHEAR; TENSION; STRAIN AB Recent experimental investigations show that most models are not able to capture the ductile behavior of metal alloys in the entire triaxiality range, especially at low triaxiality. Modelers are moving beyond stress triaxiality as the dominant indicator of material failure and developing constitutive models that incorporate shear into the evolution of the failure model. Available data that cover low triaxiality range are rare and a series of critical experiments is needed. Here, experiments of smooth thin as well as notched tubular specimens of A16061-T651 under combined tension-torsion loading were conducted. This provides a very basic set of data for phenomenological models. A full-field deformation technique, digital image correlation (DIC), was applied to these tests to allow measurement of the field deformation, including the notched area. The microstructural features of the tested specimens were characterized to better understand the different failure mechanisms which led to ductility variation in the aluminum alloy. C1 [Lu, Wei-Yang; Jin, Helena] Sandia Natl Labs, Livermore, CA 94550 USA. RP Lu, WY (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 16 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4603-2 PY 2014 AR V06AT06A011 PG 9 WC Engineering, Mechanical SC Engineering GA BF1BL UT WOS:000380290400011 ER PT B AU Wang, ZX Zhang, YQ Lam, PS Chao, YJ AF Wang, Zhongxian Zhang, Yan-qing Lam, Poh-Sang Chao, Yuh J. BE Brongers, M Rudland, D TI Creep Analysis and Constraint Effect in a Center-Cracked Plate under Biaxial Loading SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6A LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div ID FINITE-ELEMENT ANALYSIS; TIP FIELDS; SPECIMENS; PARAMETER; FRACTURE; SOLIDS AB Typical pressure vessels are subject to biaxial loading. Creep analysis was conducted with two-dimensional finite element method for a center-cracked plate under a range of biaxial loading ratios (lambda=-1, 0, and 0.5). The effects of crack size and the biaxial loading ratio on the crack tip field are reported. In addition, based on a two-parameter fracture theory, C(t)-A(2)(t),where C is a contour integral and is path independent when the steady state creep is reached (denoted by C*), and A(2) is a time dependent crack tip constraint parameter. The crack tip stress field calculated from the C(t)A2(t) theory is shown to be more accurate than the Hutchinson Rice Rosengren (HRR) singularity solution, especially in the case of lambda = 0.5. The loading level appears to have little effects on the constraint parameter A(2)(t). As creep time increases, the creep zone (based on the equivalent creep strain) increases rapidly but the yield zone (with respect to a reference stress) decreases. Meanwhile, the crack tip constraint is increasing with creep time, particularly for the small cracks. It was also found that the normalized relationship between the contour integral C(t)/C* and the creep time t/t(T) (where t(T) is the characteristic time for transition from small-scale creep to extensive creep) is insensitive to the biaxial loading. Therefore, the relationship previously provided for uniaxial loading can be used for biaxial loading. C1 [Wang, Zhongxian; Zhang, Yan-qing] Jiangsu Univ, Fac Civil Engn & Mech, Zhenjiang 212013, Jiangsu, Peoples R China. [Lam, Poh-Sang] Savannah River Natl Lab, Mat Sci & Technol, Aiken, SC 29808 USA. [Chao, Yuh J.] Tianjin Univ, Coll Mat Sci & Engn, Tianjin, Peoples R China. [Chao, Yuh J.] Univ South Carolina, Dept Mech Engn, Columbia, SC 29208 USA. RP Wang, ZX (reprint author), Jiangsu Univ, Fac Civil Engn & Mech, Zhenjiang 212013, Jiangsu, Peoples R China. EM wzx-5566@163.com; 740366901@qq.com; ps.lam@srnl.doe.gov; chao.bill@gmail.com NR 28 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4603-2 PY 2014 AR V06AT06A016 PG 11 WC Engineering, Mechanical SC Engineering GA BF1BL UT WOS:000380290400016 ER PT B AU An, B Iijima, T Marchi, CS Somerday, B AF An, Bai Iijima, Takashi Marchi, Chris San Somerday, Brian BE Brongers, M Rudland, D TI MICROMECHANISMS OF HYDROGEN-ASSISTED CRACKING IN SUPER DUPLEX STAINLESS STEEL INVESTIGATED BY SCANNING PROBE MICROSCOPY SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6B LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div ID INDUCED STRESS CRACKING; FORCE MICROSCOPY; EMBRITTLEMENT; DEFORMATION AB Understanding the micromechanisms of hydrogen-assisted fracture in multiphase metals is of great scientific and engineering importance. By using a combination of scanning electron microscopy (SEM), scanning tunneling microscopy (STM), atomic force microscopy (AFM) and magnetic force microscopy (MFM), the micromorphology of fracture surface and microcrack formation in hydrogen-precharged super duplex stainless steel 2507 are characterized from microscale to nanoscale. The results reveal that the fracture surfaces consist of quasi-brittle facets with riverlike patterns at the microscale, which exhibit rough irregular patterns or remarkable quasi periodic corrugation patterns at the nanoscale that can be correlated with highly localized plastic deformation. The microcracks preferentially initiate and propagate in ferrite phase and are stopped or deflected by the boundaries of the austenite phase. The hydrogen-assisted cracking mechanisms in super duplex stainless steel are discussed according to the experimental results and hydrogen-enhanced localized plasticity theory. C1 [An, Bai; Iijima, Takashi] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki, Japan. [Marchi, Chris San; Somerday, Brian] Sandia Natl Labs, Livermore, CA USA. RP An, B (reprint author), Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki, Japan. EM b.an@aist.go.jp; lijima-t@aist.go.jp; cwsanma@sandia.gov; bpsomer@sandia.gov NR 22 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4604-9 PY 2014 AR V06BT06A009 PG 6 WC Engineering, Mechanical SC Engineering GA BF1BJ UT WOS:000380290200009 ER PT B AU Balch, DK Goods, SH San Marchi, C AF Balch, Dorian K. Goods, Steve H. San Marchi, Chris BE Brongers, M Rudland, D TI FABRICATION AND TESTING OF ELECTRON BEAM WELDED ALLOY AA2219 ALUMINUM PRESSURE VESSELS FOR HIGH-PRESSURE HYDROGEN SERVICE SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6B LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB Aluminum alloys offer significant advantages for hydrogen service such as low weight, improved uniformity of properties relative to forged austenitic stainless steels, and immunity to embrittlement in the presence of dry hydrogen. For these reasons aluminum alloys are now being considered for high-pressure hydrogen isotope pressure vessel applications where forged stainless steels have been the standard materials of construction for decades. In particular, alloy AA2219 is being evaluated due to its excellent weldability, microstructural stability, and good mechanical and fracture toughness properties. Prototype AA2219 pressure vessels have been fabricated and tested, including electron beam weld development, weld hardness and tensile testing prior to and after post-weld heat treatment, and burst testing. The design, manufacture, and testing of AA2219 pressure vessels will be discussed, including an ongoing long-term shelf storage program where pressure vessels are loaded with gaseous hydrogen at pressure of 103 MPa (85% of the burst pressure for these vessels). C1 [Balch, Dorian K.; Goods, Steve H.; San Marchi, Chris] Sandia Natl Labs, Livermore, CA 94551 USA. RP Balch, DK (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. NR 9 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4604-9 PY 2014 AR V06BT06A025 PG 9 WC Engineering, Mechanical SC Engineering GA BF1BJ UT WOS:000380290200025 ER PT B AU Bukowski, JV Goble, WM Gross, RE Harris, SR AF Bukowski, Julia V. Goble, William M. Gross, Robert E. Harris, Stephen R. BE Brongers, M Rudland, D TI THE EFFECTS OF MAINTENANCE ACTIONS ON THE PFDavg OF SPRING OPERATED PRESSURE RELIEF VALVES SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6B LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB The safety integrity level (SIL) of equipment used in safety instrumented, functions is determined by the average probability of failure on demand (PFDavg) computed at the time of periodic inspection and maintenance, i.e., the time of proof testing. The computation of PFDavg is generally based solely on predictions or estimates of the assumed constant failure rate of the equipment. However, PFDavg is also affected by maintenance actions (or lack thereof) taken by the end user. This paper shows how maintenance actions can affect the PFDavg of spring operated pressure relief valves (SOPRV) and how these maintenance actions may be accounted for in the computation of the PFDavg metric. The method provides a means for quantifying the effects of changes in maintenance practices and shows how these changes impact plant safety. C1 [Bukowski, Julia V.] Villanova Univ, Villanova, PA 19085 USA. [Goble, William M.] Exida LLC, Sellersville, PA USA. [Gross, Robert E.] Savannah River Nucl Solut, Aiken, SC USA. [Harris, Stephen R.] Savannah River Natl Lab, Aiken, SC USA. RP Bukowski, JV (reprint author), Villanova Univ, Villanova, PA 19085 USA. EM julia.bukowski@villanova.edu; wgoble@exida.com; robert.gross@srs.gov; stephen.harris@srnl.doe.gov NR 15 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4604-9 PY 2014 PG 9 WC Engineering, Mechanical SC Engineering GA BF1BJ UT WOS:000380290200049 ER PT B AU Iijima, T Itoga, H An, B San Marchi, C Somerday, BP AF Iijima, Takashi Itoga, Hisatake An, Bai San Marchi, Chris Somerday, Brian P. BE Brongers, M Rudland, D TI MEASUREMENT OF FRACTURE PROPERTIES FOR FERRITIC STEEL IN HIGH-PRESSURE HYDROGEN GAS SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6B LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB Recently, the measurement of threshold stress intensity factors for various low alloy ferritic steels in high-pressure hydrogen gas of 103 MPa was performed, and it was revealed that the subcritical cracking threshold under rising displacement was lower than the subcritical cracking threshold for crack arrest under constant displacement. These experimental results demonstrate the importance of the testing method for evaluating the fracture properties in high-pressure hydrogen gas. We measured the subcritical cracking threshold under rising displacement for ASME SA-372 Grade J ferritic steels in high-pressure hydrogen gas at pressure up to 115MPa. In contrast to other reported procedures where the applied displacement was increased continuously, in this study crack length was determined using an unloading elastic compliance method. The values of the subcritical cracking threshold measured by the unloading elastic compliance method are consistent with previous measurements in which the applied displacement continuously increased. These results suggest the possibility that subcritical cracking thresholds do not depend on the applied displacement path, i.e., periodic unloading vs. continuously rising displacement. C1 [Iijima, Takashi; An, Bai] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki, Japan. [Itoga, Hisatake] Kyushu Univ, Fukuoka, Japan. [San Marchi, Chris; Somerday, Brian P.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Iijima, T (reprint author), Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki, Japan. NR 6 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4604-9 PY 2014 AR V06BT06A024 PG 7 WC Engineering, Mechanical SC Engineering GA BF1BJ UT WOS:000380290200024 ER PT B AU San Marchi, C Somerday, BP AF San Marchi, Chris Somerday, Brian P. BE Brongers, M Rudland, D TI COMPARISON OF STAINLESS STEELS FOR HIGH-PRESSURE HYDROGEN SERVICE SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6B LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div ID ASSISTED CRACK-PROPAGATION; STRENGTH; GAS AB Type 316/316L austenitic stainless steels are considered the benchmark for resistance to hydrogen embrittlement in gaseous hydrogen environments. Type 316/316L alloys are used extensively in handling systems for gaseous hydrogen, which has created engineering basis for its use. This material class, however, is relatively expensive compared to other structural metals including other austenitic stainless steels, thus the hydrogen fuel cell community seeks lower-cost alternatives. Nickel content is an important driver of cost and hydrogen-embrittlement resistance; the cost of austenitic stainless steels is largely determined by nickel content, while high nickel content generally improves resistance to hydrogen embrittlement. These circumstances create the perception that less-expensive grades of austenitic stainless steels are not appropriate for hydrogen service. While other grades of austenitic stainless steels are generally more susceptible to hydrogen embrittlement, in many cases the hydrogen-affected properties are superior to the properties of materials that are considered acceptable, such as aluminum alloys and A-286 austenitic stainless steel. In this paper, the properties of a variety of austenitic stainless steels are compared with the aim of promoting the consideration of a wider range of austenitic stainless steels to reduce cost and reduce weight of high-pressure components for hydrogen service. C1 [San Marchi, Chris; Somerday, Brian P.] Sandia Natl Labs, Livermore, CA 94550 USA. RP San Marchi, C (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 25 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4604-9 PY 2014 AR V06BT06A023 PG 9 WC Engineering, Mechanical SC Engineering GA BF1BJ UT WOS:000380290200023 ER PT B AU Sprouster, DJ Ecker, LE Anderson, T Weidner, R Ghose, S Dooryhee, E AF Sprouster, David J. Ecker, Lynne E. Anderson, Thomas Weidner, Randy Ghose, Sanjit Dooryhee, Eric BE Brongers, M Rudland, D TI Automated Synchrotron X-ray Diffraction of Irradiated Reactor Pressure Vessel Steels SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6B LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB In this work, we outline the development of an automated, high-throughput robotic system designed for the structural characterization of radioactive samples at the X-ray Powder Diffraction beamline of the National Synchrotron Light Source-II (NSLS II). C1 [Sprouster, David J.; Ecker, Lynne E.; Anderson, Thomas; Weidner, Randy; Ghose, Sanjit; Dooryhee, Eric] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Sprouster, DJ (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. RI Sprouster, David/F-2280-2010 OI Sprouster, David/0000-0002-2689-0721 NR 4 TC 0 Z9 0 U1 2 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4604-9 PY 2014 AR V06BT06A006 PG 2 WC Engineering, Mechanical SC Engineering GA BF1BJ UT WOS:000380290200006 ER PT B AU Yu, XH Qiao, DX Crooker, P David, S Feng, ZL AF Yu, Xinghua Qiao, Dongxiao Crooker, Paul David, Stan Feng, Zhili BE Brongers, M Rudland, D TI Measurement of Plastic Strain Distribution in Dissimilar Metal Weld by Micro-hardness Mapping SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6B LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB Measuring plastic strains is very useful method for validating finite element model of weld residual stress, which is very important for understanding welding process and facilitating other engineering applications. In this work, the distribution of plastic strains in a multi-pass dissimilar metal weld comprised of Nickel Alloy 82 and austenitic stainless steel 304L is evaluated quantitatively through micro-hardness mapping. An experiment procedure was developed to separate the contribution to hardness from the plastic strain (work hardening) that forms the chemistry variation in the dissimilar metal weld. It is found that high equivalent plastic strains are predominately accumulated in the buttering layer, the root pass, and the heat affected zone, which experience multiple welding thermal cycles. The final cap passes, experiencing only one or two welding thermal cycles, exhibit less plastic strain accumulation. Moreover, the experimental residual plastic strains are compared with those predicted using an existing weld thermo-mechanical model with two different strain hardening rules. C1 [Yu, Xinghua; David, Stan; Feng, Zhili] Oak Ridge Natl Lab, POB 2008,MS-6095,One Bethel Valley Rd, Oak Ridge, TN 37831 USA. [Qiao, Dongxiao] Tsinghua Univ, Beijing 100084, Peoples R China. [Crooker, Paul] Elect Power Res Inst, Palo Alto, CA USA. RP Yu, XH (reprint author), Oak Ridge Natl Lab, POB 2008,MS-6095,One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM yux@ornl.gov; qiaodx@gmail.com; perooker@epri.com; davids@ornl.gov; fengz@ornl.gov RI Yu, Xinghua/E-2254-2017 OI Yu, Xinghua/0000-0001-9605-8239 NR 8 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4604-9 PY 2014 PG 4 WC Engineering, Mechanical SC Engineering GA BF1BJ UT WOS:000380290200071 ER PT B AU Yu, XH Qiao, DX Feng, ZL Crooker, P Wang, YL AF Yu, Xinghua Qiao, Dongxiao Feng, Zhili Crooker, Paul Wang, Yanli BE Brongers, M Rudland, D TI High Temperature Dynamics Strain Hardening Behavior in Stainless Steels and Nickel Alloys SO ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 6B LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div ID RECRYSTALLIZATION; DEFORMATION; RECOVERY AB Primary water stress corrosion cracking (PWSCC) is a major materials challenge for dissimilar metal welds (DMW) in pressurized water reactors. The reliability of structure integrity assessment of DMW is strongly dependent on the reliable determination of the weld residual stress (WRS) field, which is one of the primary driving forces for PWSCC. Recent studies have shown that WRS prediction using today's DMW WRS models strongly depends upon the choice of strain-hardening constitutive model. The commonly used strain hardening models (isotropic, kinematic, and mixed) are all time-independent ones that are inadequate to accounting for the time-dependent (viscous) plastic deformation at the elevated temperatures during welding. Recently, a dynamics strain hardening constitutive model has been proposed and the application of such a model has resulted in improved WRS prediction when compared to the WRS measurement results by contour method and deep-hole drilling method. In this study, the dynamic strain hardening behavior, under uniaxial tensile loading conditions, of several stainless steels and nickel alloys (SS304, Alloy 600, Alloy 82 and Alloy 52) commonly used in pressure vessel nozzle DMW are experimentally determined and compared. The extent of softening due to different duration of high-temperature exposure is studied and its influence on final residual stresses is discussed. An empirical correlation combining both the time and temperature effects on dynamic strain hardening is proposed for weld residual stress modeling. C1 [Yu, Xinghua; Feng, Zhili; Wang, Yanli] Oak Ridge Natl Lab, POB 2008,MS-6095,One Bethel Valley Rd, Oak Ridge, TN 37831 USA. [Qiao, Dongxiao] Tsinghua Univ, Beijing 100084, Peoples R China. [Crooker, Paul] Elect Power Res Inst, Palo Alto, CA USA. RP Yu, XH (reprint author), Oak Ridge Natl Lab, POB 2008,MS-6095,One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM yux@ornl.gov; qiaodx@gmail.com; fengz@ornl.gov; perooker@epri.com; wangy3@ornl.gov RI Yu, Xinghua/E-2254-2017 OI Yu, Xinghua/0000-0001-9605-8239 NR 10 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4604-9 PY 2014 AR V06BT06A072 PG 4 WC Engineering, Mechanical SC Engineering GA BF1BJ UT WOS:000380290200072 ER PT S AU Walker, AC Mehta, P Koller, J AF Walker, Andrew C. Mehta, Piyush Koller, Josef BE Broschart, SB Turner, JD Howell, KC Hoots, FR TI THE EFFECT OF DIFFERENT ADSORPTION MODELS ON SATELLITE DRAG COEFFICIENTS SO ASTRODYNAMICS 2013, PTS I-III SE Advances in the Astronautical Sciences LA English DT Proceedings Paper CT AAS/AIAA Astrodynamics Specialist Conference CY AUG 11-15, 2013 CL Hilton Head, SC SP AAS, AIAA ID ENERGY-ACCOMMODATION COEFFICIENTS; ATMOSPHERIC DENSITY; SURFACE AB Accurate satellite drag coefficients are important for reducing orbit prediction errors and for inferring unbiased atmospheric mass density from measurements of satellite decay. Past use of fixed satellite drag coefficients when inferring atmospheric mass density from orbital decay has resulted in large biases in empirical atmospheric models. These biases can be reduced by using physical drag coefficients which model the interaction between the atmospheric gas particles and the satellite surface; however, physical drag coefficients require detailed knowledge of the gas-surface interaction which is most sensitive to the energy and momentum accommodation coefficients. State-of-the-art models reveal that the effective energy accommodation coefficient for satellites in low Earth orbit is strongly correlated with the adsorption of atomic oxygen. Previous work has modeled this dependence using a Langmuir isotherm which works well at altitudes below 500 km but fails to match data at higher altitudes. Therefore, Freundlich and Temkin isotherms are used here to test whether data at higher altitudes might be better fit with a different adsorption model. Mathematically, both the Freundlich and Temkin isotherms should (and do) better fit the data because they have two free parameters compared to only one for the Langmuir isotherm. Physically, the Freundlich isotherm allows for multi-layer adsorption and an exponential range of adsorption energies corresponding to a non-uniform sur-face. The Temkin isotherm also allows for multi-layer adsorption and accounts for the interaction between the adsorbing gas and the adsorbate whereas the Langmuir isotherm is limited to monolayer adsorption and constant adsorption energy corresponding to a uniform surface. C1 [Walker, Andrew C.; Mehta, Piyush] Los Alamos Natl Lab, Space Sci & Applicat Intelligence & Space Res, POB 1663, Los Alamos, NM 87544 USA. [Koller, Josef] Los Alamos Natl Lab, Space Sci & Applicat Intelligence & Space Res, PI IMPACT Project, Los Alamos, NM 87544 USA. RP Walker, AC (reprint author), Los Alamos Natl Lab, Space Sci & Applicat Intelligence & Space Res, POB 1663, Los Alamos, NM 87544 USA. RI Koller, Josef/C-5591-2009 OI Koller, Josef/0000-0002-6770-4980 NR 27 TC 0 Z9 0 U1 0 U2 3 PU UNIVELT INC PI SAN DIEGO PA PO BOX 28130, SAN DIEGO, CA 92128 USA SN 1081-6003 BN 978-0-87703-605-0 J9 ADV ASTRONAUT SCI PY 2014 VL 150 BP 675 EP 686 PN I-III PG 12 WC Engineering, Aerospace SC Engineering GA BE9EE UT WOS:000377326600040 ER PT S AU Shoemaker, MA Wohlberg, B Linares, R Koller, J AF Shoemaker, Michael A. Wohlberg, Brendt Linares, Richard Koller, Josef BE Broschart, SB Turner, JD Howell, KC Hoots, FR TI APPLICATION OF OPTICAL TRACKING AND ORBIT ESTIMATION TO SATELLITE ORBIT TOMOGRAPHY SO ASTRODYNAMICS 2013, PTS I-III SE Advances in the Astronautical Sciences LA English DT Proceedings Paper CT AAS/AIAA Astrodynamics Specialist Conference CY AUG 11-15, 2013 CL Hilton Head, SC SP AAS, AIAA AB Satellite orbit tomography is shown through numerical simulations to reconstruct the spatially-resolved global neutral density field using only a single ground site. The study assumes a ground site located near Los Alamos, New Mexico, and selects nearly 200 resident space objects in low-Earth orbit as potential tracking targets. Over a chosen six-day time span in 2011, around 50 objects have enough visibilities to be used. A Constrained Admissible Region Multiple Hypothesis Filter (CAR-MHF) is tested for estimating the satellite position, velocity, and drag ballistic coefficients. The CAR-MHF has difficulty estimating the state in these simulations when the assumed density model has large discrepancies compared with the truth model; however, the simulation results provide reasonable estimates of the expected orbit estimation accuracy for the chosen system. Using this information, the tomography is simulated for the remaining objects, and the density field at lower altitudes around 412 km is reconstructed to within several percent of the true time-averaged density values. C1 [Shoemaker, Michael A.; Koller, Josef] Los Alamos Natl Lab, Space Sci & Applicat ISR 1, POB 1663,Mail Stop D466, Los Alamos, NM 87545 USA. [Wohlberg, Brendt] Los Alamos Natl Lab, Appl Math & Plasma Phys T5, Los Alamos, NM USA. [Linares, Richard] SUNY Buffalo, Univ Buffalo, Buffalo, NY USA. RP Shoemaker, MA (reprint author), Los Alamos Natl Lab, Space Sci & Applicat ISR 1, POB 1663,Mail Stop D466, Los Alamos, NM 87545 USA. OI Wohlberg, Brendt/0000-0002-4767-1843 NR 10 TC 0 Z9 0 U1 0 U2 0 PU UNIVELT INC PI SAN DIEGO PA PO BOX 28130, SAN DIEGO, CA 92128 USA SN 1081-6003 BN 978-0-87703-605-0 J9 ADV ASTRONAUT SCI PY 2014 VL 150 BP 1811 EP 1820 PN I-III PG 10 WC Engineering, Aerospace SC Engineering GA BE9EE UT WOS:000377326600105 ER PT S AU Mehta, PM Walker, A Lawrence, E Linares, R Higdon, D Koller, J AF Mehta, Piyush M. Walker, Andrew Lawrence, Earl Linares, Richard Higdon, David Koller, Josef BE Broschart, SB Turner, JD Howell, KC Hoots, FR TI MODELING SATELLITE DRAG COEFFICIENTS WITH RESPONSE SURFACES SO ASTRODYNAMICS 2013, PTS I-III SE Advances in the Astronautical Sciences LA English DT Proceedings Paper CT AAS/AIAA Astrodynamics Specialist Conference CY AUG 11-15, 2013 CL Hilton Head, SC SP AAS, AIAA ID OUTPUT AB Satellite drag coefficients are a major source of uncertainty in predicting the drag force on satellites in low Earth orbit (LEO). Among other things, accurately predicting the orbit requires detailed knowledge of the satellite drag coefficient. Computational methods are important tools in computing the drag coefficient but are too intensive for real-time predictions. Therefore, analytic or empirical models that can accurately predict drag coefficients are desired. This work uses response surfaces to model drag coefficients. The response surface methodology is validated by developing a response surface model for the drag coefficient of a sphere. The response surface model performs well in predicting the drag coefficient of a sphere with a root mean square error less than 0.3% over the entire parameter space. For more complex geometries, such as the GRACE satellite, the model error is only slightly larger with an error less than 0.7%. C1 [Mehta, Piyush M.; Walker, Andrew; Koller, Josef] Los Alamos Natl Lab, Space Sci & Applicat, ISR 1,MS D466, Los Alamos, NM 87545 USA. [Lawrence, Earl; Higdon, David] Los Alamos Natl Lab, Div Theoret, T-5,MS D466, Los Alamos, NM 87545 USA. [Linares, Richard] Univ Buffalo, Dept Aerosp Engn, Buffalo, NY 14260 USA. RP Mehta, PM (reprint author), Los Alamos Natl Lab, Space Sci & Applicat, ISR 1,MS D466, Los Alamos, NM 87545 USA. RI Koller, Josef/C-5591-2009 OI Koller, Josef/0000-0002-6770-4980 NR 18 TC 0 Z9 0 U1 2 U2 3 PU UNIVELT INC PI SAN DIEGO PA PO BOX 28130, SAN DIEGO, CA 92128 USA SN 1081-6003 BN 978-0-87703-605-0 J9 ADV ASTRONAUT SCI PY 2014 VL 150 BP 2609 EP 2622 PN I-III PG 14 WC Engineering, Aerospace SC Engineering GA BE9EE UT WOS:000377326600154 ER PT B AU Neilsen, E Annis, J AF Neilsen, Eric Annis, James BE Manset, N Forshay, P TI ObsTac: Automated Execution of Dark Energy Survey Observing Tactics SO ASTRONOMICAL DATA ANALYSIS SOFTWARE AND SYSTEMS XXIII SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 23rd Annual Conference on Astronomical Data Analysis Software and Systems CY SEP 29-OCT 03, 2013 CL Canada France Hawaii Telescope Corp, Waikoloa Beach, HI SP Canada France Hawaii Telescope Corp, Anglo Australian Observ, Elsevier, European Space Agcy, European So Observ, Infrared Process & Anal Ctr, Joint Astron Ctr, Large Binocular Telescope Observ, Natl Opt Astron Observ, Natl Radio Astron Observ, Smithsonian Astrophys Observ, Space Telescope Sci Inst HO Canada France Hawaii Telescope Corp AB The Dark Energy Survey is a multi-filter survey of the southern galactic cap with two components: a wide component which visits many fields, each ten times over the course of five years; and a time-domain component of ten fields revisited on a regular cadence in each of four filters through the survey. Optimal selection of an observation for any particular time depends on many factors, including weather (including seeing), moon position and phase, image quality of already collected exposures, and others. ObsTac is the component of the observing software system that automates selection of observations based on current conditions. It integrates with the observing software through an observing queue, supporting interactive intervention by observers. It has a modular structure that simplifies replacement of different components of the system, including the implementation of the tactics algorithms themselves and interfaces with data sources that supply, for example, weather and progress data. In addition to its use in observing, obsTac may also be used to run simulations to evaluate strategic and tactical algorithms based on archival weather data. C1 [Neilsen, Eric; Annis, James] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RP Neilsen, E (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 3 TC 1 Z9 1 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-854-1 J9 ASTR SOC P PY 2014 VL 485 BP 77 EP 80 PG 4 WC Astronomy & Astrophysics; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Astronomy & Astrophysics; Computer Science GA BE7YW UT WOS:000376047600019 ER PT B AU Valdes, F Gruendl, R AF Valdes, Francisco Gruendl, Robert CA DES Project BE Manset, N Forshay, P TI The DECam Community Pipeline SO ASTRONOMICAL DATA ANALYSIS SOFTWARE AND SYSTEMS XXIII SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 23rd Annual Conference on Astronomical Data Analysis Software and Systems CY SEP 29-OCT 03, 2013 CL Canada France Hawaii Telescope Corp, Waikoloa Beach, HI SP Canada France Hawaii Telescope Corp, Anglo Australian Observ, Elsevier, European Space Agcy, European So Observ, Infrared Process & Anal Ctr, Joint Astron Ctr, Large Binocular Telescope Observ, Natl Opt Astron Observ, Natl Radio Astron Observ, Smithsonian Astrophys Observ, Space Telescope Sci Inst HO Canada France Hawaii Telescope Corp AB The Dark Energy Survey Project and NOAO have produced a world class, large format camera for the CTIO Blanco Telescope. This camera, called the Dark Energy Camera or DECam, with 62 CCDs and a similar to 20 second readout is capable of producing a very large amount of data. NOAO and the DES Data Management (DESDM) team have worked together to develop a Community Pipeline (CP) to produce calibrated data products for community users (the DES has its own dedicated pipeline with the same or similar components). First light and commissioning occurred in the fall of 2012 and the camera and pipeline have had nearly a year of operation and evolution. The CP has recently reach a production level with good data quality products. This paper provides an overview of this DECam Community Pipeline. C1 [Valdes, Francisco] Natl Opt Astron Observ, POB 26732, Tucson, AZ 85719 USA. [Gruendl, Robert] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [DES Project] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Valdes, F (reprint author), Natl Opt Astron Observ, POB 26732, Tucson, AZ 85719 USA. EM valdes@noao.edu NR 0 TC 18 Z9 18 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-854-1 J9 ASTR SOC P PY 2014 VL 485 BP 379 EP 382 PG 4 WC Astronomy & Astrophysics; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Astronomy & Astrophysics; Computer Science GA BE7YW UT WOS:000376047600088 ER PT J AU Santana, JA Ishikawa, Y Trabert, E AF Santana, Juan A. Ishikawa, Yasuyuki Traebert, Elmar TI Relativistic MR-MP calculations of the energy levels and transition probabilities in Ni- to Kr-like Pt ions SO ATOMIC DATA AND NUCLEAR DATA TABLES LA English DT Article ID X-RAY-SPECTRA; CU-LIKE IONS; ZN-LIKE IONS; MULTICONFIGURATIONAL DIRAC-FOCK; GAUSSIAN-BASIS-SET; QED CORRECTIONS; HEAVY-IONS; NA-LIKE; WAVELENGTHS; TRAP AB Ni- to Kr-like Pt ions have been studied by relativistic multi-reference Moller-Plesset many-body perturbation theory calculations. Energy levels and lifetimes of low-lying excited states within the n = 4 complex are reported for each ion. Wavelengths and transition probabilities for the strongest electricdipole transitions are compared with available experimental data. Synthetic radiative spectra are shown for various wavelength regions. (C) 2013 Elsevier Inc. All rights reserved. C1 [Santana, Juan A.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Santana, Juan A.; Ishikawa, Yasuyuki] Univ Puerto Rico, Dept Chem, Rio Piedras, PR 00931 USA. [Traebert, Elmar] Ruhr Univ Bochum, Astron Inst, D-44780 Bochum, Germany. [Traebert, Elmar] LLNL, Div Phys, Livermore, CA 94551 USA. RP Trabert, E (reprint author), Ruhr Univ Bochum, Astron Inst, D-44780 Bochum, Germany. EM santanajuan@berkeley.edu; yishikawa@uprrp.edu; traebert@astro.rub.de RI Santana, Juan A./G-4329-2011 OI Santana, Juan A./0000-0003-2349-6312 FU University of Puerto Rico; Deutsche Forschungsgemeinschaft (DFG) [Tr 171/18] FX YI acknowledges the "Fondo Institucional para la Investigacion" of the University of Puerto Rico for the support of this research. ET thanks the Deutsche Forschungsgemeinschaft (DFG) (Tr 171/18) for support. Computing resources were provided in part by the High Performance Computing Facility of University of Puerto Rico and the Lawrence Livermore National Laboratory Computing Center. NR 34 TC 4 Z9 4 U1 0 U2 3 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0092-640X EI 1090-2090 J9 ATOM DATA NUCL DATA JI Atom. Data Nucl. Data Tables PD JAN PY 2014 VL 100 IS 1 BP 183 EP 271 DI 10.1016/j.adt.2013.05.001 PG 89 WC Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Physics GA 269JO UT WOS:000328237800003 ER PT B AU Woo, HM Lee, TS AF Woo, Han Min Lee, Taek Soon BE Lu, X TI Isoprene-derived Biofuels from Engineered Microbes SO BIOFUELS: FROM MICROBES TO MOLECULES LA English DT Article; Book Chapter ID ARCHAEAL MEMBRANE-LIPIDS; PINE PINUS-TAEDA; ESCHERICHIA-COLI; MEVALONATE PATHWAY; BETA-CAROTENE; GERANYLGERANYL REDUCTASE; BIOSYNTHETIC-PATHWAY; CDNA ISOLATION; DIGERANYLGERANYLGLYCEROPHOSPHOLIPID REDUCTASE; TERPENOID BIOSYNTHESIS AB Recently, biofuel researches have shown an increased emphasis on the advanced biofuels which are more direct replacements to petroleum-derived transportation fuels, and more compatible to the existing fuel infrastructure than the most popular biofuel, ethanol. Advanced biofuels are mostly produced from the existing hydrocarbon biosynthetic pathways such as fatty acid biosynthesis and isoprenoid biosynthesis. These hydrocarbon biosynthetic pathways generate a range of potential biofuels with characteristics suitable for gasoline, diesels, or jet-fuels, and among them, isoprenoid pathways are unique for their richness in the type of compounds they can generate. Here, we provide the insights of a class of isoprenoid compounds that can be produced in microbes by adequate microbial engineering. Subsequently, microbial cells have been constructed to produce isoprenoids using tools of pathway and host engineering, and optimized through metabolic engineering. To broaden the spectrum of microbial synthesis of target isoprenoids, synthetic biology and systems biology also have been applied to engineered microbes. Several engineered E. coli and yeast strains have been constructed and being optimized for industrial applications. Downstream-modification of isoprenoids produced from engineered microbes is necessary to satisfy the current fuel properties, and catalytic processes of target compounds must be combined with the development of isoprenoids-producing strains. C1 [Woo, Han Min] Korea Inst Sci & Technol, Clean Energy Res Ctr, Seoul, South Korea. [Woo, Han Min] Korea Univ, Green Sch, Seoul, South Korea. [Lee, Taek Soon] Joint BioEnergy Inst, Emeryville, CA USA. [Lee, Taek Soon] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. RP Woo, HM (reprint author), Korea Inst Sci & Technol, Clean Energy Res Ctr, Seoul, South Korea. EM hmwoo@kist.re.kr; tslee@lbl.gov NR 79 TC 0 Z9 0 U1 1 U2 1 PU CAISTER ACADEMIC PRESS PI WYMONDHAM PA 32 HEWITTS LANE, WYMONDHAM NR 18 0JA, ENGLAND BN 978-1-908230-63-8; 978-1-908230-45-4 PY 2014 BP 179 EP 195 PG 17 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA BF9AS UT WOS:000385399900007 ER PT S AU Sun, JZ Ding, SY Doran-Peterson, J AF Sun, Jianzhong Ding, Shi-You Doran-Peterson, Joy BE Sun, J Ding, SY DoranPeterson, J TI Biomass and its Biorefinery: Novel Approaches from Nature-Inspired Strategies and Technology SO BIOLOGICAL CONVERSION OF BIOMASS FOR FUELS AND CHEMICALS: EXPLORATIONS FROM NATURAL UTILIZATION SYSTEMS SE RSC Energy and Environment Series LA English DT Article; Book Chapter ID LIGNOCELLULOSIC BIOMASS; CELLULOSIC BIOMASS; CORN STOVER; FERMENTATION; PRETREATMENT; DIGESTIBILITY; STREPTOMYCES; DEGRADATION; BIOFUELS; SOIL C1 [Sun, Jianzhong] Jiangsu Univ, Biofuels Inst, Zhenjiang 212013, Peoples R China. [Ding, Shi-You] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Doran-Peterson, Joy] Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. RP Sun, JZ (reprint author), Jiangsu Univ, Biofuels Inst, Zhenjiang 212013, Peoples R China. EM jzsun1002@hotmail.com NR 28 TC 1 Z9 1 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-424-0 J9 RSC ENERGY ENVIRON S PY 2014 VL 10 BP 1 EP 13 PG 13 WC Energy & Fuels SC Energy & Fuels GA BG2RM UT WOS:000387591300002 ER PT S AU Sun, JZ Ding, SY Doran-Peterson, J AF Sun, Jiangzhong Ding, Shi-You Doran-Peterson, Joy BE Sun, J Ding, SY DoranPeterson, J TI Biological Conversion of Biomass for Fuels and Chemicals Explorations from Natural Utilization Systems preface SO BIOLOGICAL CONVERSION OF BIOMASS FOR FUELS AND CHEMICALS: EXPLORATIONS FROM NATURAL UTILIZATION SYSTEMS SE RSC Energy and Environment Series LA English DT Editorial Material; Book Chapter C1 [Sun, Jiangzhong] Jiangsu Univ, Biofuels Inst, Zhenjiang, Peoples R China. [Ding, Shi-You] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA. [Doran-Peterson, Joy] Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. RP Sun, JZ (reprint author), Jiangsu Univ, Biofuels Inst, Zhenjiang, Peoples R China. EM jzsun1002@hotmail.com; shi.you.ding@nrel.gov; jpeterso@uga.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-424-0 J9 RSC ENERGY ENVIRON S PY 2014 VL 10 BP V EP VI PG 2 WC Energy & Fuels SC Energy & Fuels GA BG2RM UT WOS:000387591300001 ER PT S AU Ding, SY AF Ding, Shi-You BE Sun, J Ding, SY DoranPeterson, J TI Overview of Lignocellulose: Structure and Chemistry SO BIOLOGICAL CONVERSION OF BIOMASS FOR FUELS AND CHEMICALS: EXPLORATIONS FROM NATURAL UTILIZATION SYSTEMS SE RSC Energy and Environment Series LA English DT Article; Book Chapter ID NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; SYNCHROTRON X-RAY; LIGNIN BIOSYNTHESIS; CRYSTAL-STRUCTURE; CELLULOSE; RECALCITRANCE; BIOFUELS; BIOMASS C1 [Ding, Shi-You] Natl Renewable Energy Lab, Biosci Ctr, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Ding, SY (reprint author), Natl Renewable Energy Lab, Biosci Ctr, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM shi.you.ding@nrel.gov NR 23 TC 0 Z9 0 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-424-0 J9 RSC ENERGY ENVIRON S PY 2014 VL 10 BP 14 EP 25 PG 12 WC Energy & Fuels SC Energy & Fuels GA BG2RM UT WOS:000387591300003 ER PT S AU Liu, YS Ding, SY AF Liu, Yu-San Ding, Shi-You BE Sun, J Ding, SY DoranPeterson, J TI Advances in the Measurement and Characterization of Biomass Structure and Processing SO BIOLOGICAL CONVERSION OF BIOMASS FOR FUELS AND CHEMICALS: EXPLORATIONS FROM NATURAL UTILIZATION SYSTEMS SE RSC Energy and Environment Series LA English DT Article; Book Chapter ID RAMAN-SCATTERING MICROSCOPY; CARBOHYDRATE-BINDING MODULES; IONIC LIQUID PRETREATMENT; CELL-WALL ARCHITECTURE; FTIR MICROSPECTROSCOPY; HIGH-SENSITIVITY; LABEL-FREE; CELLULOSE; RECALCITRANCE; SPECTROSCOPY C1 [Liu, Yu-San; Ding, Shi-You] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Liu, Yu-San; Ding, Shi-You] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Ding, SY (reprint author), Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. EM shi.you.ding@nrel.gov NR 50 TC 0 Z9 0 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-424-0 J9 RSC ENERGY ENVIRON S PY 2014 VL 10 BP 26 EP 36 PG 11 WC Energy & Fuels SC Energy & Fuels GA BG2RM UT WOS:000387591300004 ER PT S AU Tao, L Tan, ECD Aden, A Elander, RT AF Tao, Ling Tan, Eric C. D. Aden, Andy Elander, Richard T. BE Sun, J Ding, SY DoranPeterson, J TI Techno-Economic Analysis and Life-Cycle Assessment of Lignocellulosic Biomass to Sugars Using Various Pretreatment Technologies SO BIOLOGICAL CONVERSION OF BIOMASS FOR FUELS AND CHEMICALS: EXPLORATIONS FROM NATURAL UTILIZATION SYSTEMS SE RSC Energy and Environment Series LA English DT Article; Book Chapter ID LEADING TECHNOLOGIES; TRANSPORTATION FUELS; ETHANOL-PRODUCTION; CORN STOVER; BIOFUELS; CONVERSION; CHEMICALS; ECONOMICS; CATALYSTS; ENZYMES C1 [Tao, Ling; Tan, Eric C. D.; Aden, Andy; Elander, Richard T.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Tao, L (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Ling.Tao@nrel.gov NR 35 TC 2 Z9 2 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 2044-0774 BN 978-1-84973-424-0 J9 RSC ENERGY ENVIRON S PY 2014 VL 10 BP 358 EP 380 PG 23 WC Energy & Fuels SC Energy & Fuels GA BG2RM UT WOS:000387591300020 ER PT J AU Manaka, Y Wang, WH Suna, Y Kambayashi, H Muckerman, JT Fujita, E Himeda, Y AF Manaka, Yuichi Wang, Wan-Hui Suna, Yuki Kambayashi, Hide Muckerman, James T. Fujita, Etsuko Himeda, Yuichiro TI Efficient H-2 generation from formic acid using azole complexes in water SO CATALYSIS SCIENCE & TECHNOLOGY LA English DT Article ID CARBON-DIOXIDE; HYDROGEN GENERATION; HOMOGENEOUS HYDROGENATION; CATALYTIC-HYDROGENATION; AMBIENT-TEMPERATURE; RUTHENIUM COMPLEXES; IRIDIUM CATALYST; DECOMPOSITION; DEHYDROGENATION; LIGANDS AB Iridium azole-containing complexes are demonstrated to catalyze the dehydrogenation of formic acid into H-2-CO2 (1/1) mixtures in aqueous solution in the absence of organic additives, and with a maximum turnover frequency (TOF) of 34000 h(-1) at 80 degrees C. C1 [Manaka, Yuichi; Wang, Wan-Hui; Suna, Yuki; Kambayashi, Hide; Himeda, Yuichiro] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058565, Japan. [Wang, Wan-Hui; Himeda, Yuichiro] JST, ACT C, Kawaguchi, Saitama 3320012, Japan. [Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Manaka, Y (reprint author), Natl Inst Adv Ind Sci & Technol, Tsukuba Cent 5-2,1-1-1 Higashi, Tsukuba, Ibaraki 3058565, Japan. EM ou-wanhui@aist.go.jp; himeda.y@aist.go.jp RI Himeda, Yuichiro/E-8613-2014; Wang, Wan-Hui/J-8773-2012; OI Wang, Wan-Hui/0000-0002-5943-4589; Manaka, Yuichi/0000-0001-5872-3365 FU JST, ACT-C; U.S. Department of Energy [DE-AC02-98CH10886]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences FX Y. H. and W.-H. W. acknowledge JST, ACT-C for financial support. Work at Brookhaven National Laboratory was carried out under contract DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences. NR 36 TC 42 Z9 42 U1 3 U2 66 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 2014 VL 4 IS 1 BP 34 EP 37 DI 10.1039/c3cy00830d PG 4 WC Chemistry, Physical SC Chemistry GA 264IL UT WOS:000327870100005 ER PT B AU Edenhofer, O Pichs-Madruga, R Sokona, Y Agrawala, S Bashmakov, IA Blanco, G Broome, J Bruckner, T Brunner, S Bustamante, M Clarke, L Creutzig, F Dhakal, S Dubash, NK Eickemeier, P Farahani, E Fischedick, M Fleurbaey, M Gerlagh, R Gomez-Echeverri, L Gupta, S Harnisch, J Jiang, KJ Kadner, S Kartha, S Klasen, S Kolstad, C Krey, V Kunreuther, H Lucon, O Masera, O Minx, J Mulugetta, Y Patt, A Ravindranath, NH Riahi, K Roy, J Schaeffer, R Schlomer, S Seto, K Seyboth, K Sims, R Skea, J Smith, P Somanathan, E Stavins, R von Stechow, C Sterner, T Sugiyama, T Suh, S Urama, KC Urge-Vorsatz, D Victor, DG Zhou, DD Zou, J Zwickel, T Baiocchi, G Chum, H Fuglestvedt, J Haberl, H Hertwich, E Kriegler, E Rogelj, J Rogner, HH Schaeffer, M Smith, SJ van Vuuren, D Wiser, R AF Edenhofer, Ottmar Pichs-Madruga, Ramon Sokona, Youba Agrawala, Shardul Bashmakov, Igor Alexeyevich Blanco, Gabriel Broome, John Bruckner, Thomas Brunner, Steffen Bustamante, Mercedes Clarke, Leon Creutzig, Felix Dhakal, Shobhakar Dubash, Navroz K. Eickemeier, Patrick Farahani, Ellie Fischedick, Manfred Fleurbaey, Marc Gerlagh, Reyer Gomez-Echeverri, Luis Gupta, Sujata Harnisch, Jochen Jiang, Kejun Kadner, Susanne Kartha, Sivan Klasen, Stephan Kolstad, Charles Krey, Volker Kunreuther, Howard Lucon, Oswaldo Masera, Omar Minx, Jan Mulugetta, Yacob Patt, Anthony Ravindranath, Nijavalli H. Riahi, Keywan Roy, Joyashree Schaeffer, Roberto Schloemer, Steffen Seto, Karen Seyboth, Kristin Sims, Ralph Skea, Jim Smith, Pete Somanathan, Eswaran Stavins, Robert von Stechow, Christoph Sterner, Thomas Sugiyama, Taishi Suh, Sangwon Urama, Kevin Chika Uerge-Vorsatz, Diana Victor, David G. Zhou, Dadi Zou, Ji Zwickel, Timm Baiocchi, Giovanni Chum, Helena Fuglestvedt, Jan Haberl, Helmut Hertwich, Edgar Kriegler, Elmar Rogelj, Joeri Rogner, H. -Holger Schaeffer, Michiel Smith, Steven J. van Vuuren, Detlef Wiser, Ryan GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Summary for Policymakers SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter C1 [Edenhofer, Ottmar; Brunner, Steffen; Eickemeier, Patrick; Farahani, Ellie; Kadner, Susanne; Minx, Jan; Schloemer, Steffen; von Stechow, Christoph; Zwickel, Timm; Kriegler, Elmar] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Pichs-Madruga, Ramon] Ctr Invest Econ Mundial, Havana, Cuba. [Sokona, Youba] South Ctr, Bern, Switzerland. [Agrawala, Shardul] OECD, Paris, France. [Bashmakov, Igor Alexeyevich] Ctr Energy Efficiency CENEF, St Petersburg, Russia. [Blanco, Gabriel] Univ Nacl, Ctr Prov Buenos Aires, Cordoba, Argentina. [Broome, John] Univ Oxford, Oxford OX1 2JD, England. [Bruckner, Thomas] Univ Leipzig, D-04109 Leipzig, Germany. [Bustamante, Mercedes] Univ Brasilia, BR-70910900 Brasilia, DF, Brazil. [Clarke, Leon] Pacific NW Natl Lab, Richland, WA 99352 USA. [Dhakal, Shobhakar] Asian Inst Technol, Bangkok, Thailand. [Dubash, Navroz K.] Ctr Policy Res, Bombay, Maharashtra, India. [Fischedick, Manfred] Wuppertal Inst Climate, Environm, Energy, Wuppertal, Germany. [Fleurbaey, Marc] Princeton Univ, Princeton, NJ 08544 USA. [Gerlagh, Reyer] Tilburg Univ, NL-5000 LE Tilburg, Netherlands. [Gomez-Echeverri, Luis; Krey, Volker; Riahi, Keywan; Rogner, H. -Holger] Int Inst Appl Syst Anal, Linz, Austria. [Jiang, Kejun] Energy Res Inst, Beijing, Peoples R China. [Klasen, Stephan] Univ Gottingen, Gottingen, Germany. [Kolstad, Charles] Stanford Univ, Stanford, CA 94305 USA. [Kunreuther, Howard] Univ Penn, Wharton Sch, Philadelphia, PA 19104 USA. [Lucon, Oswaldo] Sao Paulo State Environm Secretariat, Sao Paulo, Brazil. [Masera, Omar] Univ Nacl Autonoma Mexico, Mexico City, DF, Mexico. [Mulugetta, Yacob] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Ravindranath, Nijavalli H.] Indian Inst Sci, Bangalore, Karnataka, India. [Roy, Joyashree] Jadavpur Univ, Kolkata 700032, W Bengal, India. [Schaeffer, Roberto] Univ Fed Rio de Janeiro, BR-21941 Rio De Janeiro, Brazil. [Seto, Karen] Yale Univ, New Haven, CT 06520 USA. [Sims, Ralph] Massey Univ, Palmerston North, New Zealand. [Skea, Jim] Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. [Smith, Pete] Univ Aberdeen, Aberdeen AB9 1FX, Scotland. [Somanathan, Eswaran] Indian Stat Inst, Delhi, India. [Stavins, Robert] Harvard Univ, Cambridge, MA 02138 USA. [Sterner, Thomas] Univ Gothenburg, Gothenburg, Sweden. [Sterner, Thomas] Environm Def Fund, New York, Sweden. [Sugiyama, Taishi] CRIEPI, Tokyo, Japan. [Uerge-Vorsatz, Diana] Cent European Univ, Budapest, Hungary. [Victor, David G.] Univ Calif San Diego, San Diego, CA 92103 USA. [Baiocchi, Giovanni] Univ Maryland, College Pk, MD 20742 USA. [Chum, Helena] Natl Renewable Energy Lab, Golden, CO USA. [Fuglestvedt, Jan] Ctr Int Climate & Environm Res Oslo CICERO, Oslo, Norway. [Haberl, Helmut] Alpen Adria Univ, Klagenfurt, Austria. [Hertwich, Edgar] Norwegian Univ Sci & Technol, Trondheim, Norway. [Smith, Steven J.] Joint Global Change Res Inst, College Pk, MD 20740 USA. [van Vuuren, Detlef] Univ Utrecht, Dept Geosci, PBL Netherlands Environm Assessment Agcy, NL-3508 TC Utrecht, Netherlands. [Wiser, Ryan] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Edenhofer, O (reprint author), Potsdam Inst Climate Impact Res, Potsdam, Germany. RI Patt, Anthony/E-5437-2017 NR 0 TC 29 Z9 30 U1 1 U2 1 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 1 EP 30 PG 30 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100003 ER PT B AU Edenhofer, O Pichs-Madruga, R Sokona, Y Kadner, S Minx, JC Brunner, S Agrawala, S Baiocchi, G Bashmakov, IA Blanco, G Broome, J Bruckner, T Bustamante, M Clarke, L Grand, MC Creutzig, F Cruz-Nunez, X Dhakal, S Dubash, NK Eickemeier, P Farahani, E Fischedick, M Fleurbaey, M Gerlagh, R Gomez-Echeverri, L Gupta, S Harnisch, J Jiang, KJ Jotzo, F Kartha, S Klasen, S Kolstad, C Krey, V Kunreuther, H Lucon, O Masera, O Mulugetta, Y Norgaard, R Patt, A Ravindranath, NH Riahi, K Roy, J Sagar, A Schaeffer, R Schlomer, S Seto, K Seyboth, K Sims, R Smith, P Somanathan, E Stavins, R von Stechow, C Sterner, T Sugiyama, T Suh, S Urama, K Urge-Vorsatz, D Venables, A Victor, DG Weber, E Zhou, DD Zou, J Zwickel, T Acquaye, A Blok, K Chan, G Fuglestvedt, J Hertwich, E Kriegler, E Lah, O Mirasgedis, S Abad, CR Sheinbaum, C Smith, SJ van Vuuren, D AF Edenhofer, Ottmar Pichs-Madruga, Ramon Sokona, Youba Kadner, Susanne Minx, Jan C. Brunner, Steffen Agrawala, Shardul Baiocchi, Giovanni Bashmakov, Igor Alexeyevich Blanco, Gabriel Broome, John Bruckner, Thomas Bustamante, Mercedes Clarke, Leon Conte Grand, Mariana Creutzig, Felix Cruz-Nunez, Xochitl Dhakal, Shobhakar Dubash, Navroz K. Eickemeier, Patrick Farahani, Ellie Fischedick, Manfred Fleurbaey, Marc Gerlagh, Reyer Gomez-Echeverri, Luis Gupta, Sujata Harnisch, Jochen Jiang, Kejun Jotzo, Frank Kartha, Sivan Klasen, Stephan Kolstad, Charles Krey, Volker Kunreuther, Howard Lucon, Oswaldo Masera, Omar Mulugetta, Yacob Norgaard, Richard Patt, Anthony Ravindranath, Nijavalli H. Riahi, Keywan Roy, Joyashree Sagar, Ambuj Schaeffer, Roberto Schloemer, Steffen Seto, Karen Seyboth, Kristin Sims, Ralph Smith, Pete Somanathan, Eswaran Stavins, Robert von Stechow, Christoph Sterner, Thomas Sugiyama, Taishi Suh, Sangwon Urama, Kevin Urge-Vorsatz, Diana Venables, Anthony Victor, David G. Weber, Elke Zhou, Dadi Zou, Ji Zwickel, Timm Acquaye, Adolf Blok, Kornelis Chan, Gabriel Fuglestvedt, Jan Hertwich, Edgar Kriegler, Elmar Lah, Oliver Mirasgedis, Sevastianos Robledo Abad, Carmenza Sheinbaum, Claudia Smith, Steven J. van Vuuren, Detlef GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Technical Summary SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter C1 [Edenhofer, Ottmar; Kadner, Susanne; Minx, Jan C.; Brunner, Steffen; Eickemeier, Patrick; Farahani, Ellie; Schloemer, Steffen; von Stechow, Christoph; Zwickel, Timm; Kriegler, Elmar] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Sokona, Youba] South Ctr, Geneva, Switzerland. [Agrawala, Shardul] OECD, Paris, France. [Baiocchi, Giovanni] Univ Maryland, College Pk, MD 20742 USA. [Bashmakov, Igor Alexeyevich] Ctr Energy Efficiency CENEF, Moscow, Russia. [Blanco, Gabriel] Univ Nacl, Ctr Prov Buenos Aires, Buenos Aires, DF, Argentina. [Broome, John; Venables, Anthony] Univ Oxford, Oxford OX1 2JD, England. [Bruckner, Thomas] Univ Leipzig, D-04109 Leipzig, Germany. [Bustamante, Mercedes] Univ Brasilia, BR-70910900 Brasilia, DF, Brazil. [Clarke, Leon] Pacific NW Natl Lab, Richland, WA 99352 USA. [Conte Grand, Mariana] Univ CEMA, Buenos Aires, DF, Argentina. [Creutzig, Felix] MCC, Troisdorf, Germany. [Cruz-Nunez, Xochitl] Univ Nacl Autonoma Mexico, Mexico City, DF, Mexico. [Dhakal, Shobhakar] Asian Inst Technol, Khlong Nung, Thailand. [Dubash, Navroz K.] Ctr Policy Res, New Delhi, India. [Fischedick, Manfred] Wuppertal Inst Climate, Environm, Energy, Wuppertal, Germany. [Fleurbaey, Marc] Princeton Univ, Princeton, NJ 08544 USA. [Gerlagh, Reyer] Tilburg Univ, NL-5000 LE Tilburg, Netherlands. [Gomez-Echeverri, Luis; Krey, Volker; Riahi, Keywan] Int Inst Appl Syst Anal, Laxenburg, Austria. [Gupta, Sujata] Asian Dev Bank, Mandaluyong, Philippines. [Harnisch, Jochen] KFW German Dev Bank, Frankfurt, Germany. [Jotzo, Frank] Australian Natl Univ, Canberra, ACT 0200, Australia. [Klasen, Stephan] Univ Gottingen, Gottingen, Germany. [Kolstad, Charles] Stanford Univ, Stanford, CA 94305 USA. [Kunreuther, Howard] Univ Penn, Wharton Sch, Philadelphia, PA 19104 USA. [Lucon, Oswaldo] Sao Paulo State Environm Secretariat, Sao Paulo, Brazil. [Masera, Omar; Sheinbaum, Claudia] Univ Nacl Autonoma Mexico, Mexico City, DF, Mexico. [Mulugetta, Yacob] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Norgaard, Richard] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Patt, Anthony] Swiss Fed Inst Technol, Zurich, Switzerland. [Ravindranath, Nijavalli H.] Indian Inst Sci, Bengaluru, India. [Roy, Joyashree] Jadavpur Univ, Kolkata 700032, W Bengal, India. [Sagar, Ambuj] Indian Inst Technol Delhi, Delhi, India. [Schaeffer, Roberto] Univ Fed Rio de Janeiro, BR-21941 Rio De Janeiro, Brazil. [Seto, Karen] Yale Univ, New Haven, CT 06520 USA. [Seyboth, Kristin] KMS Res & Consulting LLC, Washington, DC USA. [Sims, Ralph] Massey Univ, Palmerston North, New Zealand. [Smith, Pete] Univ Aberdeen, Aberdeen AB9 1FX, Scotland. [Somanathan, Eswaran] Indian Stat Inst, Delhi, India. [Stavins, Robert; Chan, Gabriel] Harvard Univ, Cambridge, MA 02138 USA. [Sterner, Thomas] Univ Gothenburg, Gothenburg, Sweden. [Sterner, Thomas] Environm Def Fund, New York, Sweden. [Sugiyama, Taishi] Cent Res Inst Elect Power Ind, Komae, Tokyo, Japan. [Urama, Kevin] ATPS Network, Nairobi, Kenya. [Urge-Vorsatz, Diana] Cent European Univ, Budapest, Hungary. [Victor, David G.] Univ Calif San Diego, San Diego, CA 92103 USA. [Weber, Elke] Columbia Univ, New York, NY 10027 USA. [Zhou, Dadi] Natl Dev & Reform Commiss, Energy Res Inst, Xian, Peoples R China. [Acquaye, Adolf] Univ Kent, Canterbury CT2 7NZ, Kent, England. [Blok, Kornelis] Ecofys Netherlands, Amsterdam, Netherlands. [Fuglestvedt, Jan] Ctr Int Climate & Environm Res Oslo CICERO, Oslo, Norway. [Hertwich, Edgar] Norwegian Univ Sci & Technol, Trondheim, Norway. [Lah, Oliver] Wuppertal Inst Climate Environm & Energy, Wuppertal, Germany. [Mirasgedis, Sevastianos] Natl Observ Athens, Athens, Greece. [Robledo Abad, Carmenza] Helvetas Swiss Intercooperat, Vernier, Switzerland. [Smith, Steven J.] Joint Global Change Res Inst, College Pk, MD 20740 USA. [van Vuuren, Detlef] Univ Utrecht, Dept Geosci, PBL Netherlands Environm Assessment Agcy, NL-3508 TC Utrecht, Netherlands. RP Edenhofer, O (reprint author), Potsdam Inst Climate Impact Res, Potsdam, Germany. RI Patt, Anthony/E-5437-2017 NR 0 TC 10 Z9 10 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 33 EP 107 PG 75 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100004 ER PT B AU Blanco, G Gerlagh, R Suh, S Barrett, J de Coninck, HC Morejon, CFD Mathur, R Nakicenovic, N Ahenkorah, AO Pan, JH Pathak, H Rice, J Richels, R Smith, SJ Stern, DI Toth, FL Zhou, P Andres, R Baiocchi, G Hanemann, WM Jakob, M Kolp, P la Rovere, E Michielsen, T Nansai, K Rogner, M Rose, S Santalla, E Urge-Vorsatz, D Wiedmann, T Wilson, T AF Blanco, Gabriel Gerlagh, Reyer Suh, Sangwon Barrett, John de Coninck, Heleen C. Diaz Morejon, Cristobal Felix Mathur, Ritu Nakicenovic, Nebojsa Ahenkorah, Alfred Ofosu Pan, Jiahua Pathak, Himanshu Rice, Jake Richels, Richard Smith, Steven J. Stern, David I. Toth, Ferenc L. Zhou, Peter Andres, Robert Baiocchi, Giovanni Hanemann, William Michael Jakob, Michael Kolp, Peter la Rovere, Emilio Michielsen, Thomas Nansai, Keisuke Rogner, Mathis Rose, Steven Santalla, Estela Urge-Vorsatz, Diana Wiedmann, Tommy Wilson, Thomas GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Drivers, Trends and Mitigation SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID CARBON-DIOXIDE EMISSIONS; INPUT-OUTPUT-ANALYSIS; ENVIRONMENTAL KUZNETS CURVE; ENERGY EFFICIENCY ECONOMICS; GREENHOUSE-GAS EMISSIONS; GROWING CO2 EMISSIONS; LIFE-CYCLE ASSESSMENT; CLIMATE-CHANGE POLICY; INTERNATIONAL-TRADE; DEVELOPING-COUNTRIES C1 [Blanco, Gabriel; Santalla, Estela] Univ Nacl, Ctr Prov Buenos Aires, Buenos Aires, DF, Argentina. [Gerlagh, Reyer] Tilburg Univ, NL-5000 LE Tilburg, Netherlands. [Barrett, John] Univ Leeds, Leeds LS2 9JT, W Yorkshire, England. [de Coninck, Heleen C.] Univ Nijmegen, Nijmegen, Netherlands. [Diaz Morejon, Cristobal Felix] Minist Sci Technol & Environm, Havana, Cuba. [Mathur, Ritu] Energy & Resources Inst TERI, New Delhi, India. [Nakicenovic, Nebojsa] Vienna Univ Technol, Vienna, Austria. [Ahenkorah, Alfred Ofosu] Energy Commiss, Accra, Ghana. [Pan, Jiahua] CASS, Beijing, Peoples R China. [Pathak, Himanshu] Indian Agr Res Inst, New Delhi, India. [Rice, Jake] Ecosyst Sci Branch, Ottawa, ON, Canada. [Richels, Richard; Rose, Steven; Wilson, Thomas] Elect Power Res Inst, Washington, DC USA. [Smith, Steven J.] Joint Global Change Res Inst, College Pk, MD 20740 USA. [Stern, David I.] Australian Natl Univ, Canberra, ACT 0200, Australia. [Toth, Ferenc L.] IAEA, Vienna, Austria. [Zhou, Peter] EECG Consultants Pty Ltd, Gaborone, Botswana. [Andres, Robert] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Baiocchi, Giovanni] Univ Maryland, College Pk, MD 20742 USA. [Hanemann, William Michael] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Jakob, Michael] Mercator Res Inst Global Commons & Climate Change, Berlin, Germany. [Kolp, Peter; Rogner, Mathis] Int Inst Appl Syst Anal, Laxenburg, Austria. [la Rovere, Emilio] Univ Fed Rio de Janeiro, BR-21941 Rio De Janeiro, Brazil. [Michielsen, Thomas] Univ Oxford, Oxford OX1 2JD, England. [Nansai, Keisuke] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan. [Urge-Vorsatz, Diana] Cent European Univ, Budapest, Hungary. [Wiedmann, Tommy] Commonwealth Sci & Ind Res Org, Bundaberg, Qld, Australia. RP Blanco, G (reprint author), Univ Nacl, Ctr Prov Buenos Aires, Buenos Aires, DF, Argentina. NR 405 TC 30 Z9 31 U1 3 U2 3 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 351 EP 411 PG 61 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100009 ER PT B AU Clarke, L Jiang, KJ Akimoto, K Babiker, M Blanford, G Fisher-Vanden, K Hourcade, JC Krey, V Kriegler, E Loschel, A McCollum, D Paltsev, S Rose, S Shukla, PR Tavoni, M van der Zwaan, B van Vuuren, DP Bottcher, H Calvin, K Daenzer, K den Elzen, M Dhar, S Eom, J Hoeller, S Hohne, N Hultman, N Irvine, P Jewell, J Johnson, N Kanudia, A Kelemen, A Keller, K Kolp, P Lawrence, M Longden, T Lowe, J de Lucena, AFP Luderer, G Marangoni, G Moore, N Mouratiadou, I Petermann, N Rasch, P Riahi, K Rogelj, J Schaeffer, M Schafer, S Sedlacek, J Sokka, L von Stechow, C Wing, IS Vaughan, N Wiertz, T Zwickel, T AF Clarke, Leon Jiang, Kejun Akimoto, Keigo Babiker, Mustafa Blanford, Geoffrey Fisher-Vanden, Karen Hourcade, Jean-Charles Krey, Volker Kriegler, Elmar Loeschel, Andreas McCollum, David Paltsev, Sergey Rose, Steven Shukla, Priyadarshi R. Tavoni, Massimo van der Zwaan, Bob van Vuuren, Detlef P. Boettcher, Hannes Calvin, Katherine Daenzer, Katie den Elzen, Michel Dhar, Subash Eom, Jiyong Hoeller, Samuel Hoehne, Niklas Hultman, Nathan Irvine, Peter Jewell, Jessica Johnson, Nils Kanudia, Amit Kelemen, Agnes Keller, Klaus Kolp, Peter Lawrence, Mark Longden, Thomas Lowe, Jason Pereira de Lucena, Andre Frossard Luderer, Gunnar Marangoni, Giacomo Moore, Nigel Mouratiadou, Ionna Petermann, Nils Rasch, Philip Riahi, Keywan Rogelj, Joeri Schaeffer, Michiel Schaefer, Stefan Sedlacek, Jan Sokka, Laura von Stechow, Christoph Wing, Ian Sue Vaughan, Naomi Wiertz, Thilo Zwickel, Timm GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Assessing Transformation Pathways SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID CLIMATE-CHANGE MITIGATION; GREENHOUSE-GAS EMISSIONS; SOLAR-RADIATION MANAGEMENT; RESEARCH-AND-DEVELOPMENT; SEA-LEVEL RISE; ENDOGENOUS TECHNOLOGICAL-CHANGE; DIRECTED TECHNICAL CHANGE; PUBLIC-HEALTH BENEFITS; WORLD WATER-RESOURCES; HOUSEHOLD ENERGY USE C1 [Clarke, Leon; Calvin, Katherine; Rasch, Philip] Pacific NW Natl Lab, Richland, WA 99352 USA. [Jiang, Kejun] Energy Res Inst, Beijing, Peoples R China. [Akimoto, Keigo] Res Inst Innovat Technol Earth, Tokyo, Japan. [Babiker, Mustafa] Saudi Aramco, Dhahran, Saudi Arabia. [Blanford, Geoffrey] Ifo Inst Econ Res, Munich, Germany. [Fisher-Vanden, Karen; Daenzer, Katie; Keller, Klaus] Penn State Univ, University Pk, PA 16802 USA. [Hourcade, Jean-Charles] Ctr Natl Rech Sci, Paris, France. [Krey, Volker; McCollum, David; Boettcher, Hannes; Jewell, Jessica; Johnson, Nils; Kolp, Peter; Riahi, Keywan; Schaefer, Stefan] Int Inst Appl Syst Anal, Laxenburg, Austria. [Kriegler, Elmar; von Stechow, Christoph; Zwickel, Timm] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Loeschel, Andreas] Univ Munster, Munster, Germany. [Paltsev, Sergey] MIT, Cambridge, MA 02139 USA. [Rose, Steven] Elect Power Res Inst, Palo Alto, CA USA. [Shukla, Priyadarshi R.] Indian Inst Management Ahmedabad, Ahmadabad, Gujarat, India. [Tavoni, Massimo; Longden, Thomas; Marangoni, Giacomo] FEEM, Paris, France. [van Vuuren, Detlef P.] Univ Utrecht, Dept Geosci, PBL Netherlands Environm Assessment Agcy, NL-3508 TC Utrecht, Netherlands. [den Elzen, Michel] Netherlands Environm Assessment Agcy, Amsterdam, Netherlands. [Dhar, Subash] UNEP Riso Ctr, Lyngby, Denmark. [Eom, Jiyong] Sogang Univ, Seoul, South Korea. [Hoeller, Samuel] Wuppertal Inst Climate, Environm, Energy, Wuppertal, Germany. [Hoehne, Niklas] Ecofys, Utrecht, Germany. [Hultman, Nathan] Univ Maryland, College Pk, MD 20742 USA. [Kanudia, Amit] KanORS EMR Consultants Energy Modelling & Res, Bangalore, Karnataka, India. [Lowe, Jason] Univ Reading, Reading RG6 2AH, Berks, England. [Luderer, Gunnar] Potsdam Inst Climate Impact Res PIK, Potsdam, Germany. [Mouratiadou, Ionna; Petermann, Nils] PIK, Berlin, Germany. [Rogelj, Joeri] Swiss Fed Inst Technol, Zurich, Switzerland. [Sedlacek, Jan] Swiss Fed Inst Technol, Inst Atmospher & Climate Sci, Zurich, Switzerland. [Wing, Ian Sue] Boston Univ, Boston, MA 02215 USA. [Vaughan, Naomi] Univ E Anglia, Norwich NR4 7TJ, Norfolk, England. RP Clarke, L (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Keller, Klaus/A-6742-2013 NR 548 TC 122 Z9 125 U1 2 U2 4 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 413 EP 510 PG 98 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100010 ER PT B AU Bruckner, T Bashmakov, IA Mulugetta, Y Chum, H Navarro, AD Edmonds, J Faaij, A Fungtammasan, B Garg, A Hertwich, E Honnery, D Infield, D Kainuma, M Khennas, S Kim, S Nimir, HB Riahi, K Strachan, N Wiser, R Zhang, XL Asayama, Y Baiocchi, G Cherubini, F Czajkowska, A Darghouth, N Dooley, JJ Gibon, T Gujba, H Hoen, B de Jager, D Jewell, J Kadner, S Kim, SH Larsen, P Michaelowa, A Mills, A Morita, K Neuhoff, K Hernandez, AM Rogner, HH Salvatore, J Schloer, S Seyboth, K von Stechow, C Upadhyay, J AF Bruckner, Thomas Bashmakov, Igor Alexeyevich Mulugetta, Yacob Chum, Helena De la Vega Navarro, Angel Edmonds, James Faaij, Andre Fungtammasan, Bundit Garg, Amit Hertwich, Edgar Honnery, Damon Infield, David Kainuma, Mikiko Khennas, Smail Kim, Suduk Nimir, Hassan Bashir Riahi, Keywan Strachan, Neil Wiser, Ryan Zhang, Xiliang Asayama, Yumiko Baiocchi, Giovanni Cherubini, Francesco Czajkowska, Anna Darghouth, Naim Dooley, James J. Gibon, Thomas Gujba, Haruna Hoen, Ben de Jager, David Jewell, Jessica Kadner, Susanne Kim, Son H. Larsen, Peter Michaelowa, Axel Mills, Andrew Morita, Kanako Neuhoff, Karsten Hernandez, Ariel Macaspac Rogner, H-Holger Salvatore, Joseph Schloemer, Steffen Seyboth, Kristin von Stechow, Christoph Upadhyay, Jigeesha GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Energy Systems SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID GREENHOUSE-GAS EMISSIONS; LIFE-CYCLE ASSESSMENT; NUCLEAR-POWER-PLANTS; RENEWABLE ELECTRICITY-GENERATION; ENVIRONMENTAL-IMPACT ASSESSMENT; POSTCOMBUSTION CO2 CAPTURE; CARBON-DIOXIDE CAPTURE; STORAGE CAPACITY ESTIMATION; CONCENTRATING SOLAR POWER; PARTICULATE AIR-POLLUTION C1 [Bruckner, Thomas; Hernandez, Ariel Macaspac] Univ Leipzig, D-04109 Leipzig, Germany. [Bashmakov, Igor Alexeyevich] Ctr Energy Efficiency CENEF, Moscow, Russia. [Mulugetta, Yacob] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Chum, Helena] Natl Renewable Energy Lab, Golden, CO USA. [De la Vega Navarro, Angel] Univ Nacl Autonoma Mexico, Mexico City 04510, DF, Mexico. [Edmonds, James] Pacific NW Natl Lab, Richland, WA 99352 USA. [Faaij, Andre] Energy Acad Europe, Groningen, Netherlands. [Fungtammasan, Bundit] King Mongkuts Univ Technol Thonburi, Bangkok, Thailand. [Garg, Amit] Indian Inst Management Ahmedabad, Ahmadabad, Gujarat, India. [Hertwich, Edgar; Gibon, Thomas] Norwegian Univ Sci & Technol, Trondheim, Norway. [Honnery, Damon] Monash Univ, Clayton, Vic 3800, Australia. [Infield, David] Univ Strathclyde, Glasgow G1 1XQ, Lanark, Scotland. [Kainuma, Mikiko; Asayama, Yumiko; Morita, Kanako] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan. [Kim, Suduk] Ajou Univ, Suwon 441749, South Korea. [Nimir, Hassan Bashir] Univ Khartoum, Khartoum, Sudan. [Riahi, Keywan; Jewell, Jessica; Rogner, H-Holger] Int Inst Appl Syst Anal, Laxenburg, Austria. [Strachan, Neil] UCL, London WC1E 6BT, England. [Wiser, Ryan; Darghouth, Naim; Hoen, Ben; Larsen, Peter; Mills, Andrew] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zhang, Xiliang] Tsinghua Univ, Beijing, Peoples R China. [Baiocchi, Giovanni] Univ Maryland, College Pk, MD 20742 USA. [Cherubini, Francesco] Norwegian Univ Sci & Technol NTNU, Trondheim, Norway. [Dooley, James J.] US DOE, Washington, DC 20585 USA. [Gujba, Haruna] UN Econ Commiss Africa UNECA, Addis Ababa, Ethiopia. [de Jager, David] Ecofys Netherlands, Amsterdam, Netherlands. [Kadner, Susanne; Schloemer, Steffen; von Stechow, Christoph] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Michaelowa, Axel] Univ Zurich, CH-8006 Zurich, Switzerland. [Neuhoff, Karsten] DIW Berlin, Berlin, Germany. [Seyboth, Kristin] KMS Res & Consulting LLC, New Orleans, LA USA. [Upadhyay, Jigeesha] Indian Inst Management, Ahmadabad, India. RP Bruckner, T (reprint author), Univ Leipzig, D-04109 Leipzig, Germany. NR 792 TC 15 Z9 15 U1 0 U2 1 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 511 EP 597 PG 87 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100011 ER PT B AU Sims, R Schaeffer, R Creutzig, F Cruz-Nunez, X D'Agosto, M Dimitriu, D Meza, MJF Fulton, L Kobayashi, S Lah, O McKinnon, A Newman, P Ouyang, MG Schauer, JJ Sperling, D Tiwari, G Amekudzi, AA Borba, BSMC Chum, H Crist, P Hao, H Helfrich, J Longden, T de Lucena, AFP Peeters, P Plevin, R Plotkin, S Sausen, R AF Sims, Ralph Schaeffer, Roberto Creutzig, Felix Cruz-Nunez, Xochitl D'Agosto, Marcio Dimitriu, Delia Figueroa Meza, Maria Josefina Fulton, Lew Kobayashi, Shigeki Lah, Oliver McKinnon, Alan Newman, Peter Ouyang, Minggao Schauer, James Jay Sperling, Daniel Tiwari, Geetam Amekudzi, Adjo A. Moreira Cesar Borba, Bruno Soares Chum, Helena Crist, Philippe Hao, Han Helfrich, Jennifer Longden, Thomas Pereira de Lucena, Andre Frossard Peeters, Paul Plevin, Richard Plotkin, Steve Sausen, Robert GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Transport SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID GREENHOUSE-GAS EMISSIONS; ROAD FREIGHT TRANSPORT; CLIMATE-CHANGE-MITIGATION; HEALTH IMPACT ASSESSMENT; OF-THE-LITERATURE; ELECTRIC VEHICLES; URBAN TRANSPORT; SUSTAINABLE TRANSPORT; DEVELOPING-COUNTRIES; BUILT ENVIRONMENT C1 [Sims, Ralph] Massey Univ, Palmerston North, New Zealand. [Schaeffer, Roberto; D'Agosto, Marcio; Moreira Cesar Borba, Bruno Soares] Univ Fed Rio de Janeiro, BR-21941 Rio De Janeiro, Brazil. [Creutzig, Felix] MCC, Berlin, Germany. [Cruz-Nunez, Xochitl] Univ Nacl Autonoma Mexico, Mexico City, DF, Mexico. [Dimitriu, Delia] Univ Manchester, Ctr Air Transport & Environm, Manchester M13 9PL, Lancs, England. [Figueroa Meza, Maria Josefina] Tech Univ Denmark, Lyngby, Denmark. [Kobayashi, Shigeki] Toyota R&D Labs Inc, Nagakute, Aichi, Japan. [Lah, Oliver] Wuppertal Inst Climate Environm & Energy, Wuppertal, Germany. [McKinnon, Alan] Kuhne Logist Univ, Berlin, Germany. [Newman, Peter] Curtin Univ, Perth, WA, Australia. [Ouyang, Minggao; Hao, Han] Tsinghua Univ, Beijing, Peoples R China. [Schauer, James Jay] Univ Wisconsin Madison, Madison, WI USA. [Sperling, Daniel] Univ Calif, Davis, CA USA. [Tiwari, Geetam] Indian Inst Technol, Ahmadabad, Gujarat, India. [Amekudzi, Adjo A.] Georgia Inst Technol, Atlanta, GA 30332 USA. [Chum, Helena] Natl Renewable Energy Lab, Golden, CO USA. [Crist, Philippe] OECD, Paris, France. [Longden, Thomas] Fdn Eni Enrico Mattei, Padua, Italy. [Peeters, Paul] NHTV Breda Univ Profess Educ, Amsterdam, Netherlands. [Plevin, Richard] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Plotkin, Steve] Argonne Natl Lab, Argonne, IL 60439 USA. [Sausen, Robert] DLR Inst Phys Atmosphare, Oberpfaffenhofen, Germany. RP Sims, R (reprint author), Massey Univ, Palmerston North, New Zealand. NR 647 TC 46 Z9 47 U1 4 U2 7 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 599 EP 670 PG 72 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100012 ER PT B AU Lucon, O Urge-Vorsatz, D Ahmed, AZ Akbari, H Bertoldi, P Cabeza, LF Eyre, N Gadgil, A Harvey, LDD Jiang, Y Liphoto, E Mirasgedis, S Murakami, S Parikh, J Pyke, C Vilarino, MV Graham, P Petrichenko, K Eom, J Kelemen, A Krey, V AF Lucon, Oswaldo Urge-Vorsatz, Diana Ahmed, Azni Zain Akbari, Hashem Bertoldi, Paolo Cabeza, Luisa F. Eyre, Nicholas Gadgil, Ashok Harvey, L. D. Danny Jiang, Yi Liphoto, Enoch Mirasgedis, Sevastianos Murakami, Shuzo Parikh, Jyoti Pyke, Christopher Virginia Vilarino, Maria Graham, Peter Petrichenko, Ksenia Eom, Jiyong Kelemen, Agnes Krey, Volker GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Buildings SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID LOW-ENERGY BUILDINGS; HEALTH CO-BENEFITS; CLIMATE-CHANGE ADAPTATION; SWISS RESIDENTIAL SECTOR; GREENHOUSE-GAS; EMISSION REDUCTION; OFFICE BUILDINGS; LOW-CARBON; NET ZERO; SUSTAINABLE CONSTRUCTION C1 [Lucon, Oswaldo] Sao Paulo State Environm Secretariat, Sao Paulo, Brazil. [Urge-Vorsatz, Diana; Petrichenko, Ksenia] Cent European Univ, Budapest, Hungary. [Ahmed, Azni Zain] Univ Teknol MARA, Kuala Lumpur, Malaysia. [Akbari, Hashem] Concordia Univ, Montreal, PQ, Canada. [Cabeza, Luisa F.] Univ Lleida, Lleida, Spain. [Eyre, Nicholas] Univ Oxford, Oxford OX1 2JD, England. [Gadgil, Ashok] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Harvey, L. D. Danny] Univ Toronto, Toronto, ON M5S 1A1, Canada. [Jiang, Yi] Tsinghua Univ, Beijing, Peoples R China. [Liphoto, Enoch] Eskom Holdings SOC Ltd, Parktown, South Africa. [Mirasgedis, Sevastianos] Natl Observ Athens, Athens, Greece. [Parikh, Jyoti] Integrated Res & Act Dev IRADe, Bangalore, Karnataka, India. [Pyke, Christopher] US Green Bldg Council, Washington, DC USA. [Virginia Vilarino, Maria] WBCSD Argentinean Chapter, Business Council Sustainable Dev Argentina, Buenos Aires, DF, Argentina. [Graham, Peter] Global Bldg Performance Network, Paris, France. [Eom, Jiyong] Sogang Univ, Seoul, South Korea. [Krey, Volker] Int Inst Appl Syst Anal, Laxenburg, Austria. RP Lucon, O (reprint author), Sao Paulo State Environm Secretariat, Sao Paulo, Brazil. OI Urge-Vorsatz, Diana/0000-0003-2570-5341 NR 483 TC 20 Z9 20 U1 6 U2 6 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 671 EP 738 PG 68 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100013 ER PT B AU Fischedick, M Roy, J Abdel-Aziz, A Acquaye, A Allwood, J Ceron, JP Geng, Y Kheshgi, H Lanza, A Perczyk, D Price, L Santalla, E Sheinbaum, C Tanaka, K Baiocchi, G Calvin, K Daenzer, K Dasgupta, S Delgado, G El Haggar, S Fleiter, T Hasanbeigi, A Holler, S Jewell, J Mulugetta, Y Neelis, M du Can, SD Themelis, N Venkatagiri, KS Roche, MY AF Fischedick, Manfred Roy, Joyashree Abdel-Aziz, Amr Acquaye, Adolf Allwood, Julian Ceron, Jean-Paul Geng, Yong Kheshgi, Haroon Lanza, Alessandro Perczyk, Daniel Price, Lynn Santalla, Estela Sheinbaum, Claudia Tanaka, Kanako Baiocchi, Giovanni Calvin, Katherine Daenzer, Kathryn Dasgupta, Shyamasree Delgado, Gian El Haggar, Salah Fleiter, Tobias Hasanbeigi, Ali Hoeller, Samuel Jewell, Jessica Mulugetta, Yacob Neelis, Maarten du Can, Stephane de la Rue Themelis, Nickolas Venkatagiri, Kramadhati S. Yetano Roche, Maria GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Industry SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID GREENHOUSE-GAS EMISSIONS; WASTE-WATER TREATMENT; FOREIGN DIRECT-INVESTMENT; ENERGY-EFFICIENCY MEASURES; BLACK LIQUOR GASIFICATION; CLIMATE-CHANGE MITIGATION; CO2 CAPTURE TECHNOLOGIES; HIGH-STRENGTH STEEL; IN-SITU AERATION; END-USE GOODS C1 [Fischedick, Manfred; Hoeller, Samuel] Wuppertal Inst Climate, Environm, Energy, Wuppertal, Germany. [Roy, Joyashree; Dasgupta, Shyamasree] Jadavpur Univ, Kolkata 700032, W Bengal, India. [Acquaye, Adolf] Univ Kent, Canterbury CT2 7NZ, Kent, England. [Allwood, Julian] Univ Cambridge, Cambridge CB2 1TN, England. [Ceron, Jean-Paul] CIRED, Paris, France. [Geng, Yong] Chinese Acad Sci, Inst Appl Ecol, Beijing 100864, Peoples R China. [Kheshgi, Haroon] ExxonMobil Corp Strateg Res, Annandale, NJ USA. [Perczyk, Daniel] Inst Torcuato Tella, Buenos Aires, DF, Argentina. [Price, Lynn; Hasanbeigi, Ali] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Santalla, Estela] Univ Nacl, Ctr Prov Buenos Aires, Buenos Aires, DF, Argentina. [Sheinbaum, Claudia; Delgado, Gian] Univ Nacl Autonoma Mexico, Mexico City 04510, DF, Mexico. [Tanaka, Kanako] Japan Sci & Technol Agcy JST, Tokyo, Japan. [Baiocchi, Giovanni] Univ Maryland, College Pk, MD 20742 USA. [Calvin, Katherine] Pacific NW Natl Lab, Richland, WA 99352 USA. [Daenzer, Kathryn] Penn State Univ, University Pk, PA 16802 USA. [El Haggar, Salah] Amer Univ Cairo, Cairo, Egypt. [Fleiter, Tobias] Fraunhofer Inst Syst & Innovat Res ISI, Berlin, Germany. [Jewell, Jessica] Int Inst Appl Syst Anal, Laxenburg, Austria. [Mulugetta, Yacob] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Neelis, Maarten] Ecofys Netherlands BV China, Beijing, Peoples R China. [du Can, Stephane de la Rue] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Themelis, Nickolas] Columbia Univ, New York, NY 10027 USA. [Yetano Roche, Maria] Wuppertal Inst Climate Environm & Energy, Wuppertal, Germany. RP Fischedick, M (reprint author), Wuppertal Inst Climate, Environm, Energy, Wuppertal, Germany. NR 496 TC 22 Z9 22 U1 1 U2 1 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 739 EP 810 PG 72 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100014 ER PT B AU Smith, P Bustamante, M Ahammad, H Clark, H Dong, HM Elsiddig, EA Haberl, H Harper, R House, J Jafari, M Masera, O Mbow, C Ravindranath, NH Rice, CW Abad, CR Romanovskaya, A Sperling, F Tubiello, FN Berndes, G Bolwig, S Bottcher, H Bright, R Cherubini, F Chum, H Corbera, E Creutzig, F Delucchi, M Faaij, A Fargione, J Hansel, G Heath, G Herrero, M Houghton, R Jacobs, H Jain, AK Kato, E Lucon, O Pauly, D Plevin, R Popp, A Porter, JR Poulter, B Rose, S Pinto, AD Sohi, S Stocker, B Stromman, A Suh, S van Minnen, J AF Smith, Pete Bustamante, Mercedes Ahammad, Helal Clark, Harry Dong, Hongmin Elsiddig, Elnour A. Haberl, Helmut Harper, Richard House, Joanna Jafari, Mostafa Masera, Omar Mbow, Cheikh Ravindranath, Nijavalli H. Rice, Charles W. Robledo Abad, Carmenza Romanovskaya, Anna Sperling, Frank Tubiello, Francesco N. Berndes, Goran Bolwig, Simon Boettcher, Hannes Bright, Ryan Cherubini, Francesco Chum, Helena Corbera, Esteve Creutzig, Felix Delucchi, Mark Faaij, Andre Fargione, Joe Haensel, Gesine Heath, Garvin Herrero, Mario Houghton, Richard Jacobs, Heather Jain, Atul K. Kato, Etsushi Lucon, Oswaldo Pauly, Daniel Plevin, Richard Popp, Alexander Porter, John R. Poulter, Benjamin Rose, Steven Pinto, Alexandre de Siqueira Sohi, Saran Stocker, Benjamin Stromman, Anders Suh, Sangwon van Minnen, Jelle GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Agriculture, Forestry and Other Land Use (AFOLU) SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID LIFE-CYCLE ASSESSMENT; GREENHOUSE-GAS EMISSIONS; NITROUS-OXIDE EMISSIONS; CLIMATE-CHANGE MITIGATION; SOIL ORGANIC-CARBON; SUGARCANE-ETHANOL-PRODUCTION; NET PRIMARY PRODUCTION; ENTERIC METHANE EMISSIONS; LACTATING DAIRY-COWS; CROP-BASED BIOFUELS C1 [Smith, Pete] Univ Aberdeen, Aberdeen AB9 1FX, Scotland. [Bustamante, Mercedes; Pinto, Alexandre de Siqueira] Univ Brasilia, BR-70910900 Brasilia, DF, Brazil. [Ahammad, Helal] ABARE, Canberra, ACT, Australia. [Dong, Hongmin] Chines, Inst Environm & Sustainable Dev Agr, Beijing, Peoples R China. [Elsiddig, Elnour A.] Univ Khartoum, Fac Forestry, Khartoum, Sudan. [Haberl, Helmut] Alpen Adria Univ, Klagenfurt, Austria. [Harper, Richard] Murdoch Univ, Murdoch, WA 6150, Australia. [House, Joanna] Univ Bristol, Bristol BS8 1TH, Avon, England. [Jafari, Mostafa] RIFR, Tehran, Iran. [Jafari, Mostafa] IRIMO, Tehran, Iran. [Masera, Omar] Univ Nacl Autonoma Mexico, Mexico City, DF, Mexico. [Mbow, Cheikh] Univ Cheikh Anta Diop Dakar, Dakar, Senegal. [Ravindranath, Nijavalli H.] Indian Inst Sci, Bengaluru, India. [Rice, Charles W.] Kansas State Univ, Manhattan, KS 66506 USA. [Robledo Abad, Carmenza] Swiss Fed Inst Technol, Zurich, Switzerland. [Romanovskaya, Anna] Russian Hydrometeoservice, Moscow, Russia. [Romanovskaya, Anna] Russian Acad Sci, Moscow 117901, Russia. [Sperling, Frank] African Dev Bank, Tunis, Tunisia. [Tubiello, Francesco N.] UN Food & Agr Org FAO, Rome, Italy. [Berndes, Goran] Chalmers, Gothenburg, Sweden. [Bolwig, Simon] Tech Univ Denmark, Riso Natl Lab Sustainable Energy, Lyngby, Denmark. [Boettcher, Hannes] Int Inst Appl Syst Anal, Laxenburg, Austria. [Bright, Ryan; Cherubini, Francesco] Norwegian Univ Sci & Technol NTNU, Trondheim, Norway. [Chum, Helena; Heath, Garvin] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Corbera, Esteve] Univ Autonoma Barcelona, E-08193 Barcelona, Spain. [Creutzig, Felix] MCC, Troisdorf, Germany. [Faaij, Andre] Energy Acad Europe, Groningen, Netherlands. [Fargione, Joe] Nature Conservancy, Washington, DC USA. [Haensel, Gesine] Ecofys Germany GmbH, Cologne, Germany. [Herrero, Mario] Int Livestock Res Inst, Nairobi, Kenya. [Houghton, Richard] Woods Hole Res Ctr, Falmouth, MA 02540 USA. [Jacobs, Heather] Food & Agr Org United Nations, New York, NY USA. [Jain, Atul K.] Univ Illinois, Urbana, IL 61801 USA. [Kato, Etsushi] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan. [Lucon, Oswaldo] Sao Paulo State Environm Secretariat, Sao Paulo, Brazil. [Pauly, Daniel] Univ British Columbia, Vancouver, BC V5Z 1M9, Canada. [Plevin, Richard] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Popp, Alexander] Potsdam Inst Klimafolgenforsch, Potsdam, Germany. [Porter, John R.] Univ Copenhagen, DK-1168 Copenhagen, Denmark. [Poulter, Benjamin] Montana State Univ, Bozeman, MT 59717 USA. [Rose, Steven] Elect Power Res Inst, Palo Alto, CA USA. [Sohi, Saran] UK Biochar Res Ctr, Edinburgh, Midlothian, Scotland. [Stocker, Benjamin] Univ Bern, Inst Phys, CH-3012 Bern, Switzerland. [Stromman, Anders] Norwegian Univ Sci & Technol, Fac Engn Sci, Trondheim, Norway. RP Smith, P (reprint author), Univ Aberdeen, Aberdeen AB9 1FX, Scotland. OI Haberl, Helmut/0000-0003-2104-5446 NR 980 TC 130 Z9 132 U1 9 U2 10 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 811 EP 922 PG 112 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100015 ER PT B AU Seto, KC Dhakal, S Bigio, A Blanco, H Delgado, GC Dewar, D Huang, LX Inaba, A Kansal, A Lwasa, S McMahon, J Muller, DB Murakami, J Nagendra, H Ramaswami, A Bento, A Betsill, M Bulkeley, H Chavez, A Christensen, P Creutzig, F Fragkias, M Guneralp, B Jiang, LW Marcotullio, P McCollum, D Millard-Ball, A Pichler, P Salat, S Tacoli, C Weisz, H Zwickel, T AF Seto, Karen C. Dhakal, Shobhakar Bigio, Anthony Blanco, Hilda Carlo Delgado, Gian Dewar, David Huang, Luxin Inaba, Atsushi Kansal, Arun Lwasa, Shuaib McMahon, James Muller, Daniel B. Murakami, Jin Nagendra, Harini Ramaswami, Anu Bento, Antonio Betsill, Michele Bulkeley, Harriet Chavez, Abel Christensen, Peter Creutzig, Felix Fragkias, Michail Guneralp, Burak Jiang, Leiwen Marcotullio, Peter McCollum, David Millard-Ball, Adam Pichler, Paul Salat, Serge Tacoli, Cecilia Weisz, Helga Zwickel, Timm GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Human Settlements, Infrastructure, and Spatial Planning SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID GREENHOUSE-GAS EMISSIONS; URBAN CONTAINMENT POLICIES; JOBS-HOUSING BALANCE; CARBON LOCK-IN; MIXED LAND-USE; STRUCTURAL DECOMPOSITION ANALYSIS; TRANSIT-ORIENTED DEVELOPMENT; RESIDENTIAL PROPERTY-VALUES; CLIMATE-CHANGE MITIGATION; GROWING CO2 EMISSIONS C1 [Seto, Karen C.] Yale Univ, New Haven, CT 06520 USA. [Dhakal, Shobhakar] Asian Inst Technol, Khlong Nung, Thailand. [Bigio, Anthony] George Washington Univ, Washington, DC 20052 USA. [Blanco, Hilda] Univ So Calif, Los Angeles, CA 90089 USA. [Carlo Delgado, Gian] Univ Nacl Autonoma Mexico, Mexico City 04510, DF, Mexico. [Dewar, David] Univ Cape Town, ZA-7700 Rondebosch, South Africa. [Huang, Luxin] CAUPD, Shenzhen, Peoples R China. [Inaba, Atsushi] Kogakuin Univ, Tokyo 160, Japan. [Kansal, Arun] TERI Univ, New Delhi, India. [Lwasa, Shuaib] Makerere Univ, Kampala, Uganda. [McMahon, James] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Muller, Daniel B.] Norwegian Univ Sci & Technol, Trondheim, Norway. [Murakami, Jin] City Univ Hong Kong, Hong Kong, Hong Kong, Peoples R China. [Nagendra, Harini] ATREE, Bengaluru, India. [Ramaswami, Anu] Univ Minnesota UMN, Minneapolis, MN 55455 USA. [Bento, Antonio] Cornell Univ, Ithaca, NY 14853 USA. [Betsill, Michele] Colorado State Univ, Ft Collins, CO 80523 USA. [Bulkeley, Harriet] Univ Durham, Durham DH1 3HP, England. [Chavez, Abel; Pichler, Paul; Weisz, Helga; Zwickel, Timm] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Christensen, Peter] Sch Forestry & Environm Studies, New Haven, CT 06511 USA. [Creutzig, Felix] MCC, Troisdorf, Germany. [Fragkias, Michail] Boise State Univ, Boise, ID 83725 USA. [Guneralp, Burak] Texas A&M Univ, College Stn, TX 77843 USA. [Jiang, Leiwen] Natl Ctr Atmospher Res, Boulder, CO 80305 USA. [Marcotullio, Peter] CUNY Hunter Coll, New York, NY 10021 USA. [McCollum, David] Int Inst Appl Syst Anal, Laxenburg, Austria. [Millard-Ball, Adam] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. RP Seto, KC (reprint author), Yale Univ, New Haven, CT 06520 USA. NR 674 TC 43 Z9 43 U1 7 U2 7 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 923 EP 1000 PG 78 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100016 ER PT B AU Agrawala, S Klasen, S Moreno, RA Barreto-Gomez, L Cottier, T Gamez-Vazquez, AE Guan, DB Gutierrez-Espeleta, EE Jiang, LW Kim, YG Lewis, J Messouli, M Rauscher, M Uddin, N Venables, A Flachsland, C Holzer, K House, JI Jewell, J Knopf, B Lawrence, P Michaelowa, A Schreitter, V AF Agrawala, Shardul Klasen, Stephan Acosta Moreno, Roberto Barreto-Gomez, Leonardo Cottier, Thomas Eritrea Gamez-Vazquez, Alba Guan, Dabo Gutierrez-Espeleta, Edgar E. Jiang, Leiwen Kim, Yong Gun Lewis, Joanna Messouli, Mohammed Rauscher, Michael Uddin, Noim Venables, Anthony Flachsland, Christian Holzer, Kateryna House, Joanna I. Jewell, Jessica Knopf, Brigitte Lawrence, Peter Michaelowa, Axel Schreitter, Victoria GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Regional Development and Cooperation SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID ASIA-PACIFIC PARTNERSHIP; CLEAN DEVELOPMENT MECHANISM; GREENHOUSE-GAS MITIGATION; ENERGY ACCESS PRIORITIES; EMISSIONS TRADING SCHEME; HUMAN-DEVELOPMENT INDEX; BORDER TAX ADJUSTMENTS; ADDRESS CLIMATE-CHANGE; GROWING CO2 EMISSIONS; SUB-SAHARAN AFRICA C1 [Agrawala, Shardul; Schreitter, Victoria] OECD, Paris, France. [Klasen, Stephan] Univ Gottingen, Gottingen, Germany. [Barreto-Gomez, Leonardo] Austrian Energy Agcy, Laxenburg, Austria. [Cottier, Thomas] Univ Bern, CH-3012 Bern, Switzerland. [Eritrea Gamez-Vazquez, Alba] Univ Autonoma Baja California, Mexicali 21100, Baja California, Mexico. [Gutierrez-Espeleta, Edgar E.] Univ Costa Rica, San Pedro Montes De Oca, Costa Rica. [Jiang, Leiwen] Natl Ctr Atmospher Res, Boulder, CO 80305 USA. [Kim, Yong Gun] Korea Environm Inst, Seoul, South Korea. [Lewis, Joanna] Georgetown Univ, Washington, DC 20057 USA. [Messouli, Mohammed] Univ Cadi Ayyad, Marrakech, Morocco. [Rauscher, Michael] Univ Rostock, D-18055 Rostock, Germany. [Uddin, Noim] Univ New S Wales, Sydney, NSW 2052, Australia. [Venables, Anthony] Univ Oxford, Oxford OX1 2JD, England. [Flachsland, Christian] MCC Inst, Berlin, Germany. [Holzer, Kateryna] Natl Ctr Competence Res, Bern, Switzerland. [House, Joanna I.] Univ Bristol, Bristol BS8 1TH, Avon, England. [Jewell, Jessica] Int Inst Appl Syst Anal, Laxenburg, Austria. [Knopf, Brigitte] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Lawrence, Peter] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Michaelowa, Axel] Univ Zurich, CH-8006 Zurich, Switzerland. RP Agrawala, S (reprint author), OECD, Paris, France. NR 440 TC 2 Z9 2 U1 1 U2 1 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 1083 EP 1140 PG 58 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100018 ER PT B AU D'Agosto, M Baiocchi, G Barrett, J Broome, J Brunner, S Olvera, MC Clark, H Clarke, L de Coninck, HC Corbera, E Creutzig, F Delgado, GC Fischedick, M Fleurbaey, M Fullerton, D Harper, R Hertwich, E Honnery, D Jakob, M Kolstad, C Kriegler, E Kunreuther, H Loschel, A Lucon, O Michaelowa, A Minx, JC Mundaca, L Murakami, J Olivier, JGJ Rauscher, M Riahi, K Rogner, HH Schlomer, S Sims, R Smith, P Stern, DI Strachan, N Urama, K Urge-Vorsatz, D Victor, DG Weber, E Wiener, J Yamaguchi, M Ahmed, AZ AF D'Agosto, Marcio Baiocchi, Giovanno Barrett, John Broome, John Brunner, Steffen Carino Olvera, Micheline Clark, Harry Clarke, Leon de Coninck, Heleen C. Corbera, Esteve Creutzig, Felix Carlo Delgado, Gian Fischedick, Manfred Fleurbaey, Marc Fullerton, Don Harper, Richard Hertwich, Edgar Honnery, Damon Jakob, Michael Kolstad, Charles Kriegler, Elmar Kunreuther, Howard Loeschel, Andreas Lucon, Oswaldo Michaelowa, Axel Minx, Jan C. Mundaca, Luis Murakami, Jin Olivier, Jos G. J. Rauscher, Michael Riahi, Keywan Rogner, H. -Holger Schloemer, Steffen Sims, Ralph Smith, Pete Stern, David I. Strachan, Neil Urama, Kevin Urge-Vorsatz, Diana Victor, David G. Weber, Elke Wiener, Jonathan Yamaguchi, Mitsutsune Ahmed, Azni Zain GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Glossary, Acronyms and Chemical Symbols SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter C1 [D'Agosto, Marcio] Univ Fed Rio de Janeiro, BR-21941 Rio De Janeiro, Brazil. [Baiocchi, Giovanno] Univ Maryland, College Pk, MD 20742 USA. [Barrett, John] Univ Leeds, Leeds LS2 9JT, W Yorkshire, England. [Broome, John] Univ Oxford, Oxford OX1 2JD, England. [Brunner, Steffen; Kriegler, Elmar; Minx, Jan C.; Schloemer, Steffen] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Carino Olvera, Micheline] Univ Autonoma Baja California, Mexicali 21100, Baja California, Mexico. [Clarke, Leon] Pacific NW Natl Lab, Richland, WA 99352 USA. [de Coninck, Heleen C.] Univ Nijmegen, Nijmegen, Netherlands. [Corbera, Esteve] Univ Autonoma Barcelona, E-08193 Barcelona, Spain. [Creutzig, Felix] MCC, Troisdorf, Germany. [Carlo Delgado, Gian] Univ Nacl Autonoma Mexico, Mexico City 04510, DF, Mexico. [Fischedick, Manfred] Wuppertal Inst Climate, Environm, Energy, Wuppertal, Germany. [Fleurbaey, Marc] Princeton Univ, Princeton, NJ 08544 USA. [Fullerton, Don] Univ Illinois, Chicago, IL 60680 USA. [Harper, Richard] Murdoch Univ, Murdoch, WA 6150, Australia. [Hertwich, Edgar] Norwegian Univ Sci & Technol, Trondheim, Norway. [Honnery, Damon] Monash Univ, Clayton, Vic 3800, Australia. [Jakob, Michael] Mercator Res Inst Global Commons & Climate Change, Berlin, Germany. [Kolstad, Charles] Stanford Univ, Stanford, CA 94305 USA. [Kunreuther, Howard] Univ Penn, Wharton Sch, Philadelphia, PA 19104 USA. [Loeschel, Andreas] Univ Munster, Munster, Germany. [Lucon, Oswaldo] Sao Paulo State Environm Secretariat, Sao Paulo, Brazil. [Michaelowa, Axel] Univ Zurich, CH-8006 Zurich, Switzerland. [Mundaca, Luis] Lund Univ, S-22100 Lund, Sweden. [Murakami, Jin] City Univ Hong Kong, Hong Kong, Hong Kong, Peoples R China. [Rauscher, Michael] Univ Rostock, D-18055 Rostock, Germany. [Riahi, Keywan; Rogner, H. -Holger] Int Inst Appl Syst Anal, Laxenburg, Austria. [Sims, Ralph] Massey Univ, Palmerston North, New Zealand. [Smith, Pete] Univ Aberdeen, Aberdeen AB9 1FX, Scotland. [Stern, David I.] Australian Natl Univ, Canberra, ACT 0200, Australia. [Strachan, Neil] UCL, London WC1E 6BT, England. [Urama, Kevin] ATPS Network, Nairobi, Kenya. [Urge-Vorsatz, Diana] Cent European Univ, Budapest, Hungary. [Victor, David G.] Univ Calif San Diego, San Diego, CA 92103 USA. [Weber, Elke] Columbia Univ, New York, NY 10027 USA. [Wiener, Jonathan] Duke Univ, Durham, NC 27706 USA. [Yamaguchi, Mitsutsune] Univ Tokyo, Tokyo 1138654, Japan. [Ahmed, Azni Zain] Univ Teknol MARA, Shah Alam, Selangor, Malaysia. RP D'Agosto, M (reprint author), Univ Fed Rio de Janeiro, BR-21941 Rio De Janeiro, Brazil. NR 32 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 1249 EP 1279 PG 31 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100021 ER PT B AU Krey, V Masera, O Blanford, G Bruckner, T Cooke, R Fisher-Vanden, K Haberl, H Hertwich, E Kriegler, E Mueller, D Paltsev, S Price, L Schlomer, S Urge-Vorsatz, D van Vuuren, D Zwickel, T Blok, K du Can, SD Janssens-Maenhout, G Van Der Mensbrugghe, D Radebach, A Steckel, J AF Krey, Volker Masera, Omar Blanford, Geoffrey Bruckner, Thomas Cooke, Roger Fisher-Vanden, Karen Haberl, Helmut Hertwich, Edgar Kriegler, Elmar Mueller, Daniel Paltsev, Sergey Price, Lynn Schloemer, Steffen Urge-Vorsatz, Diana van Vuuren, Detlef Zwickel, Timm Blok, Kornelis du Can, Stephane de la Rue Janssens-Maenhout, Greet Van Der Mensbrugghe, Dominique Radebach, Alexander Steckel, Jan GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Metrics & Methodology SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID GREENHOUSE-GAS EMISSIONS; LIFE-CYCLE ASSESSMENT; PHOTOVOLTAIC ELECTRICITY-GENERATION; CARBON-DIOXIDE EMISSIONS; NET PRIMARY PRODUCTION; INPUT-OUTPUT-ANALYSIS; INTERNATIONAL-TRADE; IMPACT ASSESSMENT; UNITED-STATES; GHG EMISSIONS C1 [Krey, Volker] Int Inst Appl Syst Anal, Laxenburg, Austria. [Masera, Omar] Univ Nacl Autonoma Mexico, Mexico City, DF, Mexico. [Blanford, Geoffrey] Ifo Inst Econ Res, Munich, Germany. [Bruckner, Thomas] Univ Leipzig, D-04109 Leipzig, Germany. [Fisher-Vanden, Karen] Penn State Univ, University Pk, PA 16802 USA. [Haberl, Helmut] Alpen Adria Univ, Klagenfurt, Austria. [Hertwich, Edgar; Mueller, Daniel] Norwegian Univ Sci & Technol, Trondheim, Norway. [Kriegler, Elmar; Schloemer, Steffen; Zwickel, Timm] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Paltsev, Sergey] MIT, Cambridge, MA 02139 USA. [Price, Lynn] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Urge-Vorsatz, Diana] Cent European Univ, Budapest, Hungary. [van Vuuren, Detlef] Univ Utrecht, Dept Geosci, PBL Netherlands Environm Assessment Agcy, NL-3508 TC Utrecht, Netherlands. [Blok, Kornelis] Ecofys Netherlands, Utrecht, Netherlands. [du Can, Stephane de la Rue] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Janssens-Maenhout, Greet] EC JRC, Inst Environm & Sustainabil, Ispra, Italy. [Radebach, Alexander; Steckel, Jan] MCC Inst, Troisdorf, Germany. RP Krey, V (reprint author), Int Inst Appl Syst Anal, Laxenburg, Austria. NR 278 TC 19 Z9 19 U1 1 U2 2 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 1281 EP 1328 PG 48 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100022 ER PT B AU Bruckner, T Fulton, L Hertwich, E McKinnon, A Perczyk, D Roy, J Schaeffer, R Schlomer, S Sims, R Smith, P Wiser, R Hansel, G de Jager, D Neelis, M AF Bruckner, Thomas Fulton, Lew Hertwich, Edgar McKinnon, Alan Perczyk, Daniel Roy, Joyashree Schaeffer, Roberto Schloemer, Steffen Sims, Ralph Smith, Pete Wiser, Ryan Haensel, Gesine de Jager, David Neelis, Maarten GP Intergovernmental Panel Climate Change, Working Grp III BE Edenhofer, O PichsMadruga, R Sokona, Y Minx, JC Farahani, E Kadner, S Seyboth, K Adler, A Baum, I Brunner, S Eickemeier, P Kriemann, B Savolainen, J Schlomer, S VonStechow, C Zwickel, T TI Technology-specific Cost and Performance Parameters SO CLIMATE CHANGE 2014: MITIGATION OF CLIMATE CHANGE LA English DT Article; Book Chapter ID MITIGATION; EMISSIONS; POWER C1 [Bruckner, Thomas] Univ Leipzig, D-04109 Leipzig, Germany. [Hertwich, Edgar] Norwegian Univ Sci & Technol, Trondheim, Norway. [McKinnon, Alan] Kuhne Logist Univ, Hamburg, Germany. [Perczyk, Daniel] Inst Torcuato Tella, Buenos Aires, DF, Argentina. [Roy, Joyashree] Jadavpur Univ, Kolkata 700032, W Bengal, India. [Schaeffer, Roberto] Univ Fed Rio de Janeiro, BR-21941 Rio De Janeiro, Brazil. [Schloemer, Steffen] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Sims, Ralph] Massey Univ, Palmerston North, New Zealand. [Smith, Pete] Univ Aberdeen, Aberdeen AB9 1FX, Scotland. [Wiser, Ryan] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Haensel, Gesine] Ecofys Germany GmbH, Cologne, Germany. RP Bruckner, T (reprint author), Univ Leipzig, D-04109 Leipzig, Germany. NR 63 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-1-107-65481-5; 978-1-107-05821-7 PY 2014 BP 1329 EP 1356 PG 28 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA BE5EA UT WOS:000372635100023 ER PT J AU Sigdel, TK Nicora, CD Hsieh, SC Dai, H Qian, WJ Camp, DG Sarwal, MM AF Sigdel, Tara K. Nicora, Carrie D. Hsieh, Szu-Chuan Dai, Hong Qian, Wei-Jun Camp, David G., II Sarwal, Minnie M. TI Optimization for peptide sample preparation for urine peptidomics SO CLINICAL PROTEOMICS LA English DT Article DE Urine; Biomarker; Peptidomics; Biomarker discovery; Proteomics; Transplantation AB Analysis of native or endogenous peptides in biofluids can provide valuable insights into disease mechanisms. Furthermore, the detected peptides may also have utility as potential biomarkers for non-invasive monitoring of human diseases. The non-invasive nature of urine collection and the abundance of peptides in the urine makes analysis by high-throughput 'peptidomics' methods, an attractive approach for investigating the pathogenesis of renal disease. However, urine peptidomics methodologies can be problematic with regards to difficulties associated with sample preparation. The urine matrix can provide significant background interference in making the analytical measurements that it hampers both the identification of peptides and the depth of the peptidomics read when utilizing LC-MS based peptidome analysis. We report on a novel adaptation of the standard solid phase extraction (SPE) method to a modified SPE (mSPE) approach for improved peptide yield and analysis sensitivity with LC-MS based peptidomics in terms of time, cost, clogging of the LC-MS column, peptide yield, peptide quality, and number of peptides identified by each method. Expense and time requirements were comparable for both SPE and mSPE, but more interfering contaminants from the urine matrix were evident in the SPE preparations (e.g., clogging of the LC-MS columns, yellowish background coloration of prepared samples due to retained urobilin, lower peptide yields) when compared to the mSPE method. When we compared data from technical replicates of 4 runs, the mSPE method provided significantly improved efficiencies for the preparation of samples from urine (e.g., mSPE peptide identification 82% versus 18% with SPE; p = 8.92E-05). Additionally, peptide identifications, when applying the mSPE method, highlighted the biology of differential activation of urine peptidases during acute renal transplant rejection with distinct laddering of specific peptides, which was obscured for most proteins when utilizing the conventional SPE method. In conclusion, the mSPE method was found to be superior to the conventional, standard SPE method for urine peptide sample preparation when applying LC-MS peptidomics analysis due to the optimized sample clean up that provided improved experimental inference from the confidently identified peptides. C1 [Sigdel, Tara K.; Hsieh, Szu-Chuan; Dai, Hong; Sarwal, Minnie M.] Calif Pacific Med Ctr, Res Inst, San Francisco, CA USA. [Nicora, Carrie D.; Qian, Wei-Jun; Camp, David G., II] Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99352 USA. RP Camp, DG (reprint author), Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99352 USA. EM Dave.Camp@pnnl.gov; MSarwal@psg.ucsf.edu FU American Recovery and Reinvestment (ARRA) from the National Institute of Allergy and Infectious Diseases [U0163594]; DOE [DE-AC05-76RL01830]; [R01DK083447]; [DP2OD006668]; [P41GM103493] FX This research was performed as part of an American Recovery and Reinvestment (ARRA) funded project under Award Number U0163594 (to P Heeger), from the National Institute of Allergy and Infectious Diseases. The work was carried out by members of the Clinical Trials in Organ Transplantation (CTOT) and Clinical Trials in Organ Transplantation in Children (CTOT-C) consortia. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institute Of Allergy And Infectious Diseases or the National Institutes of Health. The authors acknowledge the funding support from R01DK083447 (to M.M.S and D.G.C.), DP2OD006668 (to W.J.Q.), and P41GM103493 (to R.D.S.). The experimental work described herein was performed in the Environmental Molecular Sciences Laboratory (EMSL), a U.S. Department of Energy (DOE) national scientific user facility located at PNNL in Richland, Washington and in the Sarwal Lab at Stanford University and California Pacific Medical Center Research Institute. PNNL is a multi-program national laboratory operated by Battelle Memorial Institute for the DOE under Contract DE-AC05-76RL01830. NR 27 TC 9 Z9 9 U1 0 U2 3 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1542-6416 EI 1559-0275 J9 CLIN PROTEOM JI Clin. Proteom. PY 2014 VL 11 AR 7 DI 10.1186/1559-0275-11-7 PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA V42YR UT WOS:000209649600043 PM 24568099 ER PT B AU Bace, RG AF Bace, Rebecca Gurley BE Bosworth, S Kabay, ME Whyne, E TI INTRUSION DETECTION AND INTRUSION PREVENTION DEVICES SO COMPUTER SECURITY HANDBOOK, 6TH EDITION, VOL 1 LA English DT Article; Book Chapter C1 [Bace, Rebecca Gurley] Infidel Inc, Scotts Valley, CA 95066 USA. [Bace, Rebecca Gurley] Natl Secur Agcy, Intrus Detect Res Program, Annapolis, MD USA. [Bace, Rebecca Gurley] Los Alamos Natl Lab, Comp Div, Los Alamos, NM USA. RP Bace, RG (reprint author), Infidel Inc, Scotts Valley, CA 95066 USA. NR 14 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-118-85174-6; 978-1-118-13410-8 PY 2014 PG 18 WC Computer Science, Information Systems SC Computer Science GA BF7XJ UT WOS:000384563000031 ER PT B AU Howard, JD AF Howard, John D. BE Bosworth, S Kabay, ME Whyne, E TI USING A COMMON LANGUAGE FOR COMPUTER SECURITY INCIDENT INFORMATION SO COMPUTER SECURITY HANDBOOK, 6TH EDITION, VOL 1 LA English DT Article; Book Chapter RP Howard, JD (reprint author), Sandia Natl Labs, Secur & Networking Res Grp, Livermore, CA 94550 USA. NR 14 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-118-85174-6; 978-1-118-13410-8 PY 2014 PG 21 WC Computer Science, Information Systems SC Computer Science GA BF7XJ UT WOS:000384563000010 ER PT S AU Dauphin, S West, RD Riley, R Simonson, KM AF Dauphin, Stephen West, R. Derek Riley, Robert Simonson, Katherine M. BE Matthews, MB TI Semi-Supervised Classification of Terrain Features in Polarimetric SAR Images using H/A/(alpha)over-bar and the General Four-Component Scattering Power Decompositions SO CONFERENCE RECORD OF THE 2014 FORTY-EIGHTH ASILOMAR CONFERENCE ON SIGNALS, SYSTEMS & COMPUTERS SE Conference Record of the Asilomar Conference on Signals Systems and Computers LA English DT Proceedings Paper CT 48h Asilomar Conference on Signals, Systems, and Computers CY NOV 02-05, 2014 CL Pacific Grove, CA SP IEEE Signal Proc Soc ID MODEL AB In an effort to enhance image classification of terrain features in fully polarimetric SAR images, this paper explores the utility of combining the results of two state-of-the-art decompositions along with a semi-supervised classification algorithm to classify each pixel in an image. Each pixel is labeled either with a pre-determined classification label, or labeled as unknown. C1 [Dauphin, Stephen] Colorado State Univ, Dept Math, Ft Collins, CO 80523 USA. [Dauphin, Stephen; West, R. Derek; Riley, Robert; Simonson, Katherine M.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Dauphin, S (reprint author), Colorado State Univ, Dept Math, Ft Collins, CO 80523 USA. NR 7 TC 0 Z9 0 U1 1 U2 1 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1058-6393 BN 978-1-4799-8297-4 J9 CONF REC ASILOMAR C PY 2014 BP 167 EP 171 PG 5 WC Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BE3MK UT WOS:000370964900030 ER PT S AU Gu, Y Jiang, HG Zhang, YC Gao, DW AF Gu, Yi Jiang, Huaiguang Zhang, Yingchen Gao, David Wenzhong BE Matthews, MB TI Statistical Scheduling of Economic Dispatch and Energy Reserves of Hybrid Power Systems with High Renewable Energy Penetration SO CONFERENCE RECORD OF THE 2014 FORTY-EIGHTH ASILOMAR CONFERENCE ON SIGNALS, SYSTEMS & COMPUTERS SE Conference Record of the Asilomar Conference on Signals Systems and Computers LA English DT Proceedings Paper CT 48h Asilomar Conference on Signals, Systems, and Computers CY NOV 02-05, 2014 CL Pacific Grove, CA SP IEEE Signal Proc Soc DE Operating cost; Gaussian Distribution; Genetic Algorithm; IEEE-RTS AB A statistical scheduling approach to economic dispatch and energy reserves is proposed in this paper. The proposed approach focuses on minimizing the overall power operating cost with considerations of renewable energy uncertainty and power system security. In such a system, it is challenging and yet an open question on the scheduling of economic dispatch together with energy reserves, due to renewable energy generation uncertainty, and spatially wide distribution of energy resources. The hybrid power system scheduling is formulated as a convex programming problem to minimize power operating cost, taking considerations of renewable energy generation, power generation-consumption balance and power system security. A genetic algorithm based approach is used for solving the minimization of the power operating cost. The IEEE 24-bus reliability test system (IEEE-RTS), which is commonly used for evaluating the price stability of power system and reliability, is used as the test bench for verifying and evaluating system performance of the proposed scheduling approach. C1 [Gu, Yi; Jiang, Huaiguang; Gao, David Wenzhong] Univ Denver, Dept Elect & Comp Engn, Denver, CO 80210 USA. [Zhang, Yingchen] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Gu, Y (reprint author), Univ Denver, Dept Elect & Comp Engn, Denver, CO 80210 USA. NR 8 TC 2 Z9 2 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1058-6393 BN 978-1-4799-8297-4 J9 CONF REC ASILOMAR C PY 2014 BP 530 EP 534 PG 5 WC Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BE3MK UT WOS:000370964900097 ER PT S AU Jiang, HG Huang, L Zhang, JJS Zhang, YC Gao, DW AF Jiang, Huaiguang Huang, Lei Zhang, Jun Jason Zhang, Yingchen Gao, David Wenzhong BE Matthews, MB TI Spatial-Temporal Characterization of Synchrophasor Measurement Systems - A Big Data Approach for Smart Grid System Situational Awareness SO CONFERENCE RECORD OF THE 2014 FORTY-EIGHTH ASILOMAR CONFERENCE ON SIGNALS, SYSTEMS & COMPUTERS SE Conference Record of the Asilomar Conference on Signals Systems and Computers LA English DT Proceedings Paper CT 48h Asilomar Conference on Signals, Systems, and Computers CY NOV 02-05, 2014 CL Pacific Grove, CA SP IEEE Signal Proc Soc DE Smart grid; phasor measurement unit; fault disturbance recorder; optimal sensor placement; matching pursuit decomposition; hidden Markov model; situational awareness AB An approach for fully characterizing a synchrophasor measurement system is proposed in this paper, which aims to provide substantial data volume reduction while keep comprehensive information from synchrophasor measurements in time and spatial domains. Specifically, the optimal synchrophasor sensor placement (OSSP) problem with the effect of zero-injection buses (ZIB) is modeled and solved to ensure the minimum number of installed sensors and also the full observability of the power system. After the sensors are optimally placed, the matching pursuit decomposition algorithm is used to extract the time-frequency features for full description of the time-domain synchrophasor measurements. To demonstrate the effectiveness of the proposed characterization approach, power system situational awareness is investigated on Hidden Markov Model (HMM) based fault detection and identification using the spatial-temporal characteristics generated from the proposed approach. Several IEEE standard systems such as the IEEE 14 bus system, IEEE 30 bus system and IEEE 39 bus system are employed to validate and evaluate the proposed approach. C1 [Jiang, Huaiguang; Zhang, Jun Jason; Gao, David Wenzhong] Univ Denver, Dept Elect & Comp Engn, Denver, CO 80210 USA. [Huang, Lei] China Southern Power Grid, Elect Power Res Inst, Guangzhou 510080, Guangdong, Peoples R China. [Zhang, Yingchen] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Jiang, HG (reprint author), Univ Denver, Dept Elect & Comp Engn, Denver, CO 80210 USA. NR 11 TC 3 Z9 3 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1058-6393 BN 978-1-4799-8297-4 J9 CONF REC ASILOMAR C PY 2014 BP 750 EP 754 PG 5 WC Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BE3MK UT WOS:000370964900136 ER PT S AU Ramamurthy, KN Thiagarajan, JJ Sridhar, R Kothandaraman, P Nachiappan, R AF Ramamurthy, Karthikeyan Natesan Thiagarajan, Jayaraman J. Sridhar, Rahul Kothandaraman, Premnishanth Nachiappan, Ramanathan BE Matthews, MB TI Consensus Inference with Multilayer Graphs for Multi-modal Data SO CONFERENCE RECORD OF THE 2014 FORTY-EIGHTH ASILOMAR CONFERENCE ON SIGNALS, SYSTEMS & COMPUTERS SE Conference Record of the Asilomar Conference on Signals Systems and Computers LA English DT Proceedings Paper CT 48h Asilomar Conference on Signals, Systems, and Computers CY NOV 02-05, 2014 CL Pacific Grove, CA SP IEEE Signal Proc Soc AB Emergence of numerous modalities for data generation necessitates the development of machine learning techniques that can perform efficient inference with multi-modal data. In this paper, we present an approach to learn discriminant low-dimensional projections from supervised multi-modal data. We construct intra-and inter-class similarity graphs for each modality and optimize for consensus projections in the kernel space. Features obtained with these projections can then be used to train a classifier for consensus inference. We also provide methods for out-of-sample extensions with novel test data. Classification results with standard multi-modal data sets demonstrate the efficacy of our method. C1 [Ramamurthy, Karthikeyan Natesan] IBM TJ Watson Res Ctr, 1101 Kitchawan Rd, Yorktown Hts, NY 10598 USA. [Thiagarajan, Jayaraman J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Sridhar, Rahul] SSN Coll Engn, Madras, Tamil Nadu, India. Lawrence Livermore Natl Lab, US DOE, Livermore, CA USA. RP Ramamurthy, KN (reprint author), IBM TJ Watson Res Ctr, 1101 Kitchawan Rd, Yorktown Hts, NY 10598 USA. EM knatesa@us.ibm.com; jayaramanthi1@llnl.gov NR 19 TC 1 Z9 1 U1 3 U2 3 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1058-6393 BN 978-1-4799-8297-4 J9 CONF REC ASILOMAR C PY 2014 BP 1341 EP 1345 PG 5 WC Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BE3MK UT WOS:000370964900242 ER PT S AU Sattigeri, P Thiagarajan, JJ Shah, M Ramamurthy, KN Spanias, A AF Sattigeri, P. Thiagarajan, J. J. Shah, M. Ramamurthy, K. N. Spanias, A. BE Matthews, MB TI A Scalable Feature Learning and Tag Prediction Framework for Natural Environment Sounds SO CONFERENCE RECORD OF THE 2014 FORTY-EIGHTH ASILOMAR CONFERENCE ON SIGNALS, SYSTEMS & COMPUTERS SE Conference Record of the Asilomar Conference on Signals Systems and Computers LA English DT Proceedings Paper CT 48h Asilomar Conference on Signals, Systems, and Computers CY NOV 02-05, 2014 CL Pacific Grove, CA SP IEEE Signal Proc Soc AB Building feature extraction approaches that can effectively characterize natural environment sounds is challenging due to the dynamic nature. In this paper, we develop a framework for feature extraction and obtaining semantic inferences from such data. In particular, we propose a new pooling strategy for deep architectures, that can preserve the temporal dynamics in the resulting representation. By constructing an ensemble of semantic embeddings, we employ an l(1)-reconstruction based prediction algorithm for estimating the relevant tags. We evaluate our approach on challenging environmental sound recognition datasets, and show that the proposed features outperform traditional spectral features. C1 [Sattigeri, P.; Shah, M.; Spanias, A.] Arizona State Univ, SenSIP Ctr, Sch ECEE, Tempe, AZ 85287 USA. [Thiagarajan, J. J.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Ramamurthy, K. N.] IBM Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA. RP Sattigeri, P (reprint author), Arizona State Univ, SenSIP Ctr, Sch ECEE, Tempe, AZ 85287 USA. NR 12 TC 0 Z9 0 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1058-6393 BN 978-1-4799-8297-4 J9 CONF REC ASILOMAR C PY 2014 BP 1779 EP 1783 PG 5 WC Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BE3MK UT WOS:000370964900320 ER PT J AU Sun, XQ Tian, GX Xu, C Rao, LF Vukovic, S Kang, SO Hay, BP AF Sun, Xiaoqi Tian, Guoxin Xu, Chao Rao, Linfeng Vukovic, Sinisa Kang, Sung Ok Hay, Benjamin P. TI Quantifying the binding strength of U(VI) with phthalimidedioxime in comparison with glutarimidedioxime SO DALTON TRANSACTIONS LA English DT Article ID CAMBRIDGE STRUCTURAL DATABASE; DENSITY-FUNCTIONAL THEORY; SEA-WATER; ANISOTROPIC DIELECTRICS; CRYSTAL-STRUCTURES; URANIUM; EXTRACTION; COMPLEXES; EXCHANGE; AMIDOXIMES AB Studies of the complexation of U(VI) with amidoxime-related ligands help in the development of efficient sorbents for the extraction of uranium from seawater. In the present study, the stability constants of the U(VI) complexes with two phthalimidedioxime ligands were determined by potentiometry and spectrophotometry, and compared with glutarimidedioxime previously studied. Density functional theory calculations were performed to identify the most probable protonation sites of the ligand and to help interpret the trend in the binding strength of the ligands. The phthalimidedioxime complexes were found to be 2-3 orders of magnitude weaker than the corresponding glutarimidedioxime complexes, which was attributed to the difference between the ligands in the electronic and structural properties. The incorporation of the aromatic ring into phthalimidedioxime reduces the electron density on the donor atoms of the ligand and makes the imidedioxime moiety less complementary for binding UO22+ via its equatorial plane. Though weaker than glutarimidedioxime, phthalimidedioxime still forms fairly strong U(VI) complexes and can still effectively compete with carbonate for the complexation of U(VI) at seawater pH and carbonate concentration. Due to its higher chemical stability in acidic solutions than that of glutarimidedioxime, phthalimidedioxime is a valuable ligand that could have potential use in the extraction of U(VI) from seawater. C1 [Sun, Xiaoqi; Tian, Guoxin; Xu, Chao; 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. [Vukovic, Sinisa; Kang, Sung Ok; Hay, Benjamin P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. 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; vukovics@ornl.gov RI Vukovic, Sinisa/J-3106-2013; XU, CHAO/S-4253-2016 OI Vukovic, Sinisa/0000-0002-7682-0705; 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) [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory [DE-AC05-00OR22725]; Office of Science of the DOE [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 and under contract no. DE-AC05-00OR22725 at Oak Ridge National Laboratory (ORNL). The computational research used the resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the DOE under contract no. DE-AC02-05CH11231. NR 37 TC 18 Z9 19 U1 7 U2 63 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 2014 VL 43 IS 2 BP 551 EP 557 DI 10.1039/c3dt52206g PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 264QH UT WOS:000327894400021 PM 24126348 ER PT J AU Craig, GA Costa, JS Roubeau, O Teat, SJ Shepherd, HJ Lopes, M Molnar, G Bousseksou, A Aromi, G AF Craig, Gavin A. Sanchez Costa, Jose Roubeau, Olivier Teat, Simon J. Shepherd, Helena J. Lopes, Manuel Molnar, Gabor Bousseksou, Azzedine Aromi, Guillem TI High-temperature photo-induced switching and pressure-induced transition in a cooperative molecular spin-crossover material SO DALTON TRANSACTIONS LA English DT Article ID LIGHT-INDUCED BISTABILITY; LASER-SHOT; IRON(II) COMPLEXES; FE(II) COMPLEXES; PHASE-TRANSITION; STATE TRANSITION; ROOM-TEMPERATURE; HYSTERESIS LOOP; RELAXATION; COMPOUND AB The thermal and photo-induced switching properties of the recently published molecular spin crossover complex [Fe(H4L)(2)](ClO4)(2)center dot H2O center dot 2(CH3)(2)CO (1) have been investigated in detail through Raman spectroscopy. Magnetometric and single crystal X-ray diffraction kinetic studies within the hysteresis loop have proven its metastable character, which allowed establishing the shape of the true, quasi-static hysteresis loop. This is related to the proximity of the temperatures of the thermal high to low spin SCO (T-1/2 down arrow)to those of the relaxation of the thermally or photo-generated metastable states (T(TIESST) and T(LIESST), respectively). Green light irradiation within the hysteresis loop results in a complete low to high spin photo-switch. In addition, the SCO of 1 at room temperature can be induced by applying pressure, as followed by Raman spectroscopy. C1 [Craig, Gavin A.; Sanchez Costa, Jose; Aromi, Guillem] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain. [Roubeau, Olivier] CSIC, ICMA, E-50009 Zaragoza, Spain. [Roubeau, Olivier] Univ Zaragoza, E-50009 Zaragoza, Spain. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Shepherd, Helena J.; Lopes, Manuel; Molnar, Gabor; Bousseksou, Azzedine] CNRS, UPR 8241, Lab Chim Coordinat, Toulouse, France. [Shepherd, Helena J.; Lopes, Manuel; Molnar, Gabor; Bousseksou, Azzedine] Univ Toulouse, UPS, INP, Toulouse, France. RP Roubeau, O (reprint author), CSIC, ICMA, E-50009 Zaragoza, Spain. EM roubeau@unizar.es; guillem.aromi@qi.ub.es RI Shepherd, Helena/B-4741-2013; Aromi, Guillem/I-2483-2015; Roubeau, Olivier/A-6839-2010; Sanchez Costa, Jose/N-9085-2014; Shepherd, Helena/M-4621-2015; Bousseksou, Azzedine/M-4559-2016; Molnar, Gabor/Q-6874-2016; OI Aromi, Guillem/0000-0002-0997-9484; Roubeau, Olivier/0000-0003-2095-5843; Sanchez Costa, Jose/0000-0001-5426-7956; Shepherd, Helena/0000-0003-0832-4475; Molnar, Gabor/0000-0001-6032-6393; Craig, Gavin/0000-0003-3542-4850 FU ERC [258060 FuncMolQIP]; Spanish MCI [CTQ2009-06959, MAT2011-24284]; French project [ANR-08-JCJC-0049-01] FX Lionel Rechignat is thanked for his help with the acquisition of Raman data. GA thanks the Generalitat de Catalunya for the prize ICREA Academia 2008 and the ERC for a Starting Grant (258060 FuncMolQIP). The authors thank the Spanish MCI for support through CTQ2009-06959 (JSC, GAC, GA) and MAT2011-24284 (OR). Financial support from the French project ANR-08-JCJC-0049-01 is acknowledged (ML, HS, GM, AB). 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 63 TC 15 Z9 15 U1 4 U2 82 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 2014 VL 43 IS 2 BP 729 EP 737 DI 10.1039/c3dt52075g PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 264QH UT WOS:000327894400043 PM 24145502 ER PT J AU Edwards, PG Gaines, KF Bryan, AL Novak, JM Blas, SA AF Edwards, Paul G. Gaines, Karen F. Bryan, A. Lawrence, Jr. Novak, James M. Blas, Susan A. TI Trophic dynamics of U, Ni, Hg and other contaminants of potential concern on the Department of Energy's Savannah River Site SO ENVIRONMENTAL MONITORING AND ASSESSMENT LA English DT Article DE Anuran larvae; Biofilms; Hg; Ni; Stable isotopes; Trophic transfer; U ID BULLFROG RANA-CATESBEIANA; COAL COMBUSTION WASTES; TOADS BUFO-TERRESTRIS; STABLE-ISOTOPES; PRIMARY CONSUMERS; WATER CHEMISTRY; METHYL MERCURY; PEREZI-SEOANE; HEAVY-METALS; GREEN FROGS AB The Department of Energy's Savannah River Site is a former nuclear weapon material production and current research facility located in South Carolina, USA. Wastewater discharges from a fuel and nuclear reactor target manufacturing facility released depleted and natural U, as well as other metals into the Tims Branch-Steed Pond water system. We investigated the current dynamics of this system for the purposes of environmental monitoring and assessment by examining metal concentrations, bioavailability, and trophic transfer of contaminants in seven ponds. Biofilm, detritus, and Anuran and Anisopteran larvae were collected and analyzed for stable isotopes (delta N-15, delta C-13) and contaminants of potential concern (COPC) with a focus on Ni, U, and Hg, to examine metal mobility. Highest levels of Ni and U were found in biofilms U (147 and 332 mg kg(-1) DW, respectively), while highest Hg levels were found in tadpoles (1.1 mg kg(-1) DW). We found intraspecific biomagnification of COPCs as expressed through stable isotope analysis. Biofilms were the best indicators for contamination and Anuran larvae with the digestive tract removed were the best indicators of the specific bioavailability of the focal metals. Monitoring data showed that baseline delta N-15 values differed between ponds, but within a pond, values were stable throughout tadpole Gosner stage, strengthening the case to use this species for monitoring purposes. It is likely that there still is risk to ecosystem integrity as COPC metals are being assimilated into lower trophic organisms and even low levels of this mixture has shown to produce deleterious effects to some wildlife species. C1 [Edwards, Paul G.; Gaines, Karen F.; Novak, James M.] Eastern Illinois Univ, Dept Biol Sci, Charleston, IL 61920 USA. [Bryan, A. Lawrence, Jr.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29808 USA. [Blas, Susan A.] Savannah River Nucl Solut, Aiken, SC 29808 USA. RP Gaines, KF (reprint author), Eastern Illinois Univ, Dept Biol Sci, 600 Lincoln Ave, Charleston, IL 61920 USA. EM kfgaines@eiu.edu FU Area Completions Project (ACP) of SRNS through DOE Award [DE-FC09-07SR22506] FX This manuscript benefited from the comments of two anonymous reviewers. We thank David Kling for contributing his expertise to experimental design and implementation of this study. We also thank Gary Mills and Elizabeth Burgess for their insight into the project and assisting with water trace metal analysis, Tracye Murphy for conducting all trace metal analyses, and Tom Maddox for all stable isotope analysis. We thank Carol Eldridge for laboratory assistance. We followed an animal welfare protocol approved by the University of Georgia Institutional Animal Care and Use Committee (A2009 10-175-Y3-A0). This project was funded by the Area Completions Project (ACP) of SRNS through DOE Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation and was used in partial fulfillment of a Master's of Science degree in the Department of Biological Sciences at Eastern Illinois University. NR 81 TC 2 Z9 2 U1 6 U2 28 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0167-6369 EI 1573-2959 J9 ENVIRON MONIT ASSESS JI Environ. Monit. Assess. PD JAN PY 2014 VL 186 IS 1 BP 481 EP 500 DI 10.1007/s10661-013-3392-z PG 20 WC Environmental Sciences SC Environmental Sciences & Ecology GA 269GI UT WOS:000328229200040 PM 23979676 ER PT S AU Tiwari, A Gamst, A Laurenzano, MA Schulz, M Carrington, L AF Tiwari, Ananta Gamst, Anthony Laurenzano, Michael A. Schulz, Martin Carrington, Laura BE Silva, F Dutra, I Costa, VS TI Modeling the Impact of Reduced Memory Bandwidth on HPC Applications SO EURO-PAR 2014 PARALLEL PROCESSING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 20th International Euro-Par Conference on Parallel Processing (Euro-Par) CY AUG 25-29, 2014 CL Porto, PORTUGAL SP Univ Porto, Fac Sci, Comp Sci Dept, INESC TEC, Ctr Res Adv Comp ID PERFORMANCE; POWER AB To deliver the energy efficiency and raw compute throughput necessary to realize exascale systems, projected designs call for massive numbers of (simple) cores per processor. An unfortunate consequence of such designs is that the memory bandwidth per core will be significantly reduced, which can significantly degrade the performance of many memory-intensive HPC workloads. To identify the code regions that are most impacted and to guide them in developing mitigating solutions, system designers and application developers alike would benefit immensely from a systematic framework that allowed them to identify the types of computations that are sensitive to reduced memory bandwidth and to precisely identify those regions in their code that exhibit sensitivity. This paper introduces a framework for identifying the properties in computations that are associated with memory bandwidth sensitivity, extracting those same properties from HPC applications, and for associating bandwidth sensitivity to specific structures in the application source code. We apply our framework to a number of large scale HPC applications, observing that the bandwidth sensitivity model shows an absolute mean error that averages less than 5%. C1 [Tiwari, Ananta; Carrington, Laura] San Diego Supercomp Ctr, Performance Modeling & Characterizat Lab, San Diego, CA USA. [Gamst, Anthony] San Diego Supercomp Ctr, Computat & Appl Stat Lab, San Diego, CA USA. [Laurenzano, Michael A.] Univ Michigan, Dept Comp Sci & Engn, Ann Arbor, MI 48109 USA. [Schulz, Martin] Lawrence Livermore Natl Lab, Lawrence, KS USA. RP Tiwari, A (reprint author), San Diego Supercomp Ctr, Performance Modeling & Characterizat Lab, San Diego, CA USA. EM tiwari@sdsc.edu; acgamst@math.ucsd.edu; mlaurenz@eecs.umich.edu; schulzm@llnl.gov; lcarring@sdsc.edu NR 28 TC 4 Z9 4 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-319-09873-9; 978-3-319-09872-2 J9 LECT NOTES COMPUT SC PY 2014 VL 8632 BP 63 EP 74 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BE3UT UT WOS:000371297400006 ER PT S AU Tang, HJ Zou, XC Jenkins, J Boyuka, DA Ranshous, S Kimpe, D Klasky, S Samatova, NF AF Tang, Houjun Zou, Xiaocheng Jenkins, John Boyuka, David A., II Ranshous, Stephen Kimpe, Dries Klasky, Scott Samatova, Nagiza F. BE Silva, F Dutra, I Costa, VS TI Improving Read Performance with Online Access Pattern Analysis and Prefetching SO EURO-PAR 2014 PARALLEL PROCESSING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 20th International Euro-Par Conference on Parallel Processing (Euro-Par) CY AUG 25-29, 2014 CL Porto, PORTUGAL SP Univ Porto, Fac Sci, Comp Sci Dept, INESC TEC, Ctr Res Adv Comp AB Among the major challenges of transitioning to exascale in HPC is the ubiquitous I/O bottleneck. For analysis and visualization applications in particular, this bottleneck is exacerbated by the write-once-read-many property of most scientific datasets combined with typically complex access patterns. One promising way to alleviate this problem is to recognize the application's access patterns and utilize them to prefetch data, thereby overlapping computation and I/O. However, current research methods for analyzing access patterns are either offline-only and/or lack the support for complex access patterns, such as high-dimensional strided or composition-based unstructured access patterns. Therefore, we propose an online analyzer capable of detecting both simple and complex access patterns with low computational and memory overhead and high accuracy. By combining our pattern detection with prefetching, we consistently observe run-time reductions, up to 26%, across 18 configurations of PIO-Bench and 4 configurations of a micro-benchmark with both structured and unstructured access patterns. C1 [Tang, Houjun; Zou, Xiaocheng; Jenkins, John; Boyuka, David A., II; Ranshous, Stephen; Samatova, Nagiza F.] N Carolina State Univ, Raleigh, NC 27695 USA. [Tang, Houjun; Zou, Xiaocheng; Boyuka, David A., II; Ranshous, Stephen; Klasky, Scott; Samatova, Nagiza F.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Jenkins, John; Kimpe, Dries] Argonne Natl Lab, Argonne, IL 60439 USA. RP Samatova, NF (reprint author), N Carolina State Univ, Raleigh, NC 27695 USA. EM samatova@csc.ncsu.edu NR 21 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-319-09873-9; 978-3-319-09872-2 J9 LECT NOTES COMPUT SC PY 2014 VL 8632 BP 246 EP 257 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BE3UT UT WOS:000371297400021 ER PT S AU Jana, S Hernandez, O Poole, S Chapman, B AF Jana, Siddhartha Hernandez, Oscar Poole, Stephen Chapman, Barbara BE Silva, F Dutra, I Costa, VS TI Power Consumption Due to Data Movement in Distributed Programming Models SO EURO-PAR 2014 PARALLEL PROCESSING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 20th International Euro-Par Conference on Parallel Processing (Euro-Par) CY AUG 25-29, 2014 CL Porto, PORTUGAL SP Univ Porto, Fac Sci, Comp Sci Dept, INESC TEC, Ctr Res Adv Comp AB The amount of energy consumed due to data movement poses a serious challenge when implementing and using distributed programming models. Message-passing models like MPI provide the user with explicit interfaces to initiate data-transfers among distributed processes. In this work, we establish the notion that from a programmer's standpoint, design decisions like the size of the data-payload to be transferred and the number of explicit MPI calls to service such transfers have a direct impact on the power signatures of communication kernels. Upon closer look, we additionally observe that the choice of the transport layer (along with the associated interconnect) and the design of the data transfer protocol, both, contribute to these signatures. This paper presents a fine-grained study on the impact of the power and energy consumption due to data movement in distributed programming models. We hope that results discussed in this work would motivate application and system programmers to include energy consumption as one of the important design factors while targeting HPC systems. C1 [Jana, Siddhartha; Chapman, Barbara] Univ Houston, Dept Comp Sci, Houston, TX 77204 USA. [Hernandez, Oscar; Poole, Stephen] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. RP Jana, S (reprint author), Univ Houston, Dept Comp Sci, Houston, TX 77204 USA. EM sidjana@cs.uh.edu; oscar@ornl.gov; spoole@ornl.gov; chapman@cs.uh.edu NR 11 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-319-09873-9; 978-3-319-09872-2 J9 LECT NOTES COMPUT SC PY 2014 VL 8632 BP 366 EP 378 PG 13 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BE3UT UT WOS:000371297400031 ER PT S AU Sao, P Vuduc, R Li, XS AF Sao, Piyush Vuduc, Richard Li, Xiaoye Sherry BE Silva, F Dutra, I Costa, VS TI A Distributed CPU-GPU Sparse Direct Solver SO EURO-PAR 2014 PARALLEL PROCESSING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 20th International Euro-Par Conference on Parallel Processing (Euro-Par) CY AUG 25-29, 2014 CL Porto, PORTUGAL SP Univ Porto, Fac Sci, Comp Sci Dept, INESC TEC, Ctr Res Adv Comp AB This paper presents the first hybrid MPI+OpenMP+CUDA implementation of a distributed memory right-looking unsymmetric sparse direct solver (i.e., sparse LU factorization) that uses static pivoting. While BLAS calls can account for more than 40% of the overall factorization time, the difficulty is that small problem sizes dominate the workload, making efficient GPU utilization challenging. This fact motivates our approach, which is to find ways to aggregate collections of small BLAS operations into larger ones; to schedule operations to achieve load balance and hide long-latency operations, such as PCIe transfer; and to exploit simultaneously all of a node's available CPU cores and GPUs. C1 [Sao, Piyush; Vuduc, Richard] Georgia Inst Technol, Atlanta, GA 30332 USA. [Li, Xiaoye Sherry] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Sao, P (reprint author), Georgia Inst Technol, Atlanta, GA 30332 USA. EM piyush3@gatech.edu; richie@gatech.edu; xsli@lbl.gov NR 11 TC 5 Z9 5 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-319-09873-9; 978-3-319-09872-2 J9 LECT NOTES COMPUT SC PY 2014 VL 8632 BP 487 EP 498 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BE3UT UT WOS:000371297400041 ER PT S AU Zou, XC Lakshminarasimhan, S Boyuka, DA Ranshous, S Tang, HJ Klasky, S Samatova, NF AF Zou, Xiaocheng Lakshminarasimhan, Sriram Boyuka, David A., II Ranshous, Stephen Tang, Houjun Klasky, Scott Samatova, Nagiza F. BE Silva, F Dutra, I Costa, VS TI Fast Set Intersection through Run-Time Bitmap Construction over PForDelta-Compressed Indexes SO EURO-PAR 2014 PARALLEL PROCESSING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 20th International Euro-Par Conference on Parallel Processing (Euro-Par) CY AUG 25-29, 2014 CL Porto, PORTUGAL SP Univ Porto, Fac Sci, Comp Sci Dept, INESC TEC, Ctr Res Adv Comp AB Set intersection is a fundamental operation for evaluating conjunctive queries in the context of scientific data analysis. The state-of-the-art approach in performing set intersection, compressed bitmap indexing, achieves high computational efficiency because of cheap bitwise operations; however, overall efficiency is often nullified by the HPC I/O bottleneck, because compressed bitmap indexes typically exhibit a heavy storage footprint. Conversely, the recently-presented PForDelta-compressed index has been demonstrated to be storage-lightweight, but has limited performance for set intersection. Thus, a more effective set intersection approach should be efficient in both computation and I/O. Therefore, we propose a fast set intersection approach that couples the storage light-weight PForDelta indexing format with computationally-efficient bitmaps through a specialized on-the-fly conversion. The resultant challenge is to ensure this conversion process is fast enough to maintain the performance gains from both PForDelta and the bitmaps. To this end, we contribute two key enhancements to PForDelta, BitRun and BitExp, which improve bitmap conversion through bulk bit-setting and a more streamlined PForDelta decoding process, respectively. Our experimental results show that our integrated PForDelta-bitmap method speeds up conjunctive queries by up to 7.7x versus the state-of-the-art approach, while using indexes that require 15%-60% less storage in most cases. C1 [Zou, Xiaocheng; Boyuka, David A., II; Ranshous, Stephen; Tang, Houjun; Samatova, Nagiza F.] N Carolina State Univ, Raleigh, NC 27695 USA. [Zou, Xiaocheng; Boyuka, David A., II; Ranshous, Stephen; Tang, Houjun; Klasky, Scott; Samatova, Nagiza F.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Lakshminarasimhan, Sriram] IBM India Res Lab, Bangalore 560045, Karnataka, India. RP Samatova, NF (reprint author), N Carolina State Univ, Raleigh, NC 27695 USA. EM samatova@csc.ncsu.edu NR 19 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-319-09873-9; 978-3-319-09872-2 J9 LECT NOTES COMPUT SC PY 2014 VL 8632 BP 668 EP 679 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BE3UT UT WOS:000371297400056 ER PT S AU Almgren, A Bell, J Nonaka, A Zingale, M AF Almgren, Ann Bell, John Nonaka, Andrew Zingale, Michael BE Fuhrmann, J Ohlberger, M Rohde, C TI Low Mach Number Modeling of Stratified Flows SO FINITE VOLUMES FOR COMPLEX APPLICATIONS VII - METHODS AND THEORETICAL ASPECTS SE Springer Proceedings in Mathematics & Statistics LA English DT Proceedings Paper CT 7th International Symposium on Finite Volumes for Complex Applications (FVCA) CY JUN 15-20, 2014 CL Berlin, GERMANY ID DEEP MOIST CONVECTION; IA SUPERNOVA MODELS; ANELASTIC APPROXIMATION; SCALE ANALYSIS; CARBON IGNITION; WHITE-DWARF; EQUATIONS; SIMULATION; DEFLAGRATIONS; HYDRODYNAMICS AB Low Mach number equation sets approximate the equations of motion of a compressible fluid by filtering out the sound waves, which allows the system to evolve on the advective rather than the acoustic time scale. Depending on the degree of approximation, low Mach number models retain some subset of possible compressible effects. In this paper we give an overview of low Mach number methods for modeling stratified flows arising in astrophysics and atmospheric science as well as low Mach number reacting flows. We discuss how elements from the different fields are combined to form MAESTRO, a code for modeling low Mach number stratified flows with general equations of state, reactions and time-varying stratification. C1 [Almgren, Ann; Bell, John; Nonaka, Andrew] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zingale, Michael] SUNY Stony Brook, Stony Brook, NY 11794 USA. RP Almgren, A (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM ASAlmgren@lbl.gov; JBBell@lbl.gov; AJNonaka@lbl.gov; Michael.Zingale@stonybrook.edu OI Zingale, Michael/0000-0001-8401-030X NR 48 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER INT PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 2194-1009 BN 978-3-319-05684-5 J9 SPRINGER P MATH STAT PY 2014 VL 77 BP 3 EP 15 DI 10.1007/978-3-319-05684-5_1 PG 13 WC Mathematics; Statistics & Probability SC Mathematics GA BG6RC UT WOS:000390824300001 ER PT S AU Lipnikov, K AF Lipnikov, Konstantin BE Fuhrmann, J Ohlberger, M Rohde, C TI Mimetic Finite Difference Schemes with Conditional Maximum Principle for Diffusion Problems SO FINITE VOLUMES FOR COMPLEX APPLICATIONS VII - METHODS AND THEORETICAL ASPECTS SE Springer Proceedings in Mathematics & Statistics LA English DT Proceedings Paper CT 7th International Symposium on Finite Volumes for Complex Applications (FVCA) CY JUN 15-20, 2014 CL Berlin, GERMANY AB Numerical schemes that satisfy the maximum principle play important role in multiphysics codes. They reduce significantly various numerical artifacts. We describe a novel inexpensive practical algorithm for building mimetic finite difference schemes with conditional maximum principle on polygonal and polyhedral meshes for diffusion problems. C1 [Lipnikov, Konstantin] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Lipnikov, K (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA. EM lipnikov@lanl.gov NR 8 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER INT PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 2194-1009 BN 978-3-319-05684-5 J9 SPRINGER P MATH STAT PY 2014 VL 77 BP 373 EP 381 DI 10.1007/978-3-319-05684-5_36 PG 9 WC Mathematics; Statistics & Probability SC Mathematics GA BG6RC UT WOS:000390824300036 ER PT J AU Akinosho, H Yee, K Close, D Ragauskas, A AF Akinosho, Hannah Yee, Kelsey Close, Dan Ragauskas, Arthur TI The emergence of Clostridium thermocellum as a high utility candidate for consolidated bioprocessing applications SO FRONTIERS IN CHEMISTRY LA English DT Review DE Clostridium thermocellum; cellulosic ethanol; consolidated bioprocessing; omits; cellulosome; biomass utilization AB First isolated in 1926, Clostridium thermocellum has recently received increased attention as a high utility candidate for use in consolidated bioprocessing (CBP) applications. These applications, which seek to process lignocellulosic biomass directly into useful products such as ethanol, are gaining traction as economically feasible routes toward the production of fuel and other high value chemical compounds as the shortcomings of fossil fuels become evident. This review evaluates C. thermocellum's role in this transitory process by highlighting recent discoveries relating to its genomic, transcriptomic, proteomic, and metabolomic responses to varying biomass sources, with a special emphasis placed on providing an overview of its unique, multivariate enzyme cellulosome complex and the role that this structure performs during biomass degradation. Both naturally evolved and genetically engineered strains are examined in light of their unique attributes and responses to various biomass treatment conditions, and the genetic tools that have been employed for their creation are presented. Several future routes for potential industrial usage are presented, and it is concluded that, although there have been many advances to significantly improve C. thermocellum's amenability to industrial use, several hurdles still remain to be overcome as this unique organism enjoys increased attention within the scientific community. C1 [Akinosho, Hannah] Georgia Inst Technol, Sch Chem & Biochem, Inst Paper Sci & Technol, Atlanta, GA 30332 USA. [Akinosho, Hannah; Yee, Kelsey; Ragauskas, Arthur] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. [Yee, Kelsey; Close, Dan] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Ragauskas, Arthur] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN USA. [Ragauskas, Arthur] Univ Tennessee, Dept Forestry Wildlife & Fisheries, Knoxville, TN USA. RP Ragauskas, A (reprint author), Univ Tennessee, Oak Ridge Natl Lab, Dept Chem & Biomol Engn, BioEnergy Sci Ctr, 419 Dougherty Engn Bldg,1512 Middle Dr, Knoxville, TN 37996 USA. EM aragausk@utk.edu RI Close, Dan/A-4417-2012; OI Ragauskas, Arthur/0000-0002-3536-554X FU Georgia Institute of Technology; Institute of Paper Science Paper Science and Technology; Oak Ridge National Laboratory Laboratory Directed Research and Development grant; Bioenergy Science Center (BESC), U.S. Department of Energy Bioenergy Research Center by Office of Biological and Environmental Research in the DOE Office of Science; U.S. Government [DE-AC05-00OR22725] FX Funding for this review was provided by the Georgia Institute of Technology, Institute of Paper Science Paper Science and Technology Fellowship and an Oak Ridge National Laboratory Laboratory Directed Research and Development grant. Additional funding was provided by the Bioenergy Science Center (BESC), which is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. This manuscript has been authored by a contractor of the U.S. Government under contract DE-AC05-00OR22725. NR 152 TC 23 Z9 23 U1 3 U2 18 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND EI 2296-2646 J9 FRONT CHEM JI Front. Chem. PY 2014 VL 2 AR 66 DI 10.3389/fchem.2014.00066 PG 18 WC Chemistry, Multidisciplinary SC Chemistry GA V43JV UT WOS:000209678600069 PM 25207268 ER PT J AU Sharma, PA Sugar, JD AF Sharma, Peter A. Sugar, Joshua D. TI Obstacles to applications of nanostructured thermoelectric alloys SO FRONTIERS IN CHEMISTRY LA English DT Editorial Material DE microstructure; thermoelectrics; nanostructuring; precipitation; decomposition C1 [Sharma, Peter A.] Sandia Natl Labs, Quantum Phenomena, POB 5800, Albuquerque, NM 87185 USA. [Sugar, Joshua D.] Sandia Natl Labs, Mat Phys, Livermore, CA USA. RP Sharma, PA (reprint author), Sandia Natl Labs, Quantum Phenomena, POB 5800, Albuquerque, NM 87185 USA. EM pasharm@sandia.gov NR 18 TC 2 Z9 2 U1 0 U2 3 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND EI 2296-2646 J9 FRONT CHEM JI Front. Chem. PY 2014 VL 2 AR 111 DI 10.3389/fchem.2014.00111 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA V43JV UT WOS:000209678600114 PM 25566529 ER PT J AU Zeng, Z Natesan, K Cai, Z Rink, DL AF Zeng, Z. Natesan, K. Cai, Z. Rink, D. L. TI Effect of coal ash on the performance of alloys in simulated oxy-fuel environments SO FUEL LA English DT Article DE Oxy-fuel; Ash corrosion; Alloys ID FIRESIDE CORROSION; OXIDATION; BOILERS; COMBUSTION; STEELS; PLANTS; CO2 AB Oxy-fuel combustion can increase efficiency and reduce pollution from coal power plants. To study material performance in an oxy-fuel environment, both Fe- and Ni-based alloys were exposed to simulated oxy-fuel environments at 750 degrees C for long terms up to 6300 h. The effects of ash and gas compositions (SO2, CO2, H2O and O-2) on the performance of alloys were studied. Results from these tests are used to address the role of CO2, steam, and ash in the long-term corrosion performance of alloys. Detailed results are presented on weight change, scale thickness, internal penetration, microstructural characteristics of corrosion products, and cracking of scales for the alloys. Oxide scales were studied by synchrotron nano-beam X-ray diffraction. An incubation period and a propagation period were observed for ash corrosion. Before incubation time, alloys gain weight. After incubation time, localized corrosion damages the protective scales, alloys lose weight and corrosion rates dramatically increase. Since the incubation time can be over 4000 h, long-term test results are more helpful in evaluating the alloy performance in an oxy-fuel combustion environment with ash than the results from a short-term test. The mechanism of ash corrosion is also discussed. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Zeng, Z.; Natesan, K.; Rink, D. L.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Cai, Z.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Zeng, Z (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA. EM zeng@anl.gov FU U.S. Department of Energy, Office of Fossil Energy, Advanced Research Materials Program; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank for R. Cook for his help in SEM experiment. This work is supported by the U.S. Department of Energy, Office of Fossil Energy, Advanced Research Materials Program. Use of the Advanced Photon Source, the Center for Nanoscale Materials, and the Electron Microscopy Center for Materials Research were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. NR 28 TC 7 Z9 8 U1 1 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 EI 1873-7153 J9 FUEL JI Fuel PD JAN PY 2014 VL 117 BP 133 EP 145 DI 10.1016/j.fuel.2013.09.021 PN A PG 13 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 262VV UT WOS:000327766900019 ER PT S AU Talou, P Stetcu, I Kawano, T AF Talou, Patrick Stetcu, Ionel Kawano, Toshihiko BE Oberstedt, S TI Modeling the emission of prompt fission gamma rays for fundamental physics and applications SO GAMMA-2 SCIENTIFIC WORKSHOP ON THE EMISSION OF PROMPT GAMMA-RAYS IN FISSION AND RELATED TOPICS SE Physics Procedia LA English DT Proceedings Paper CT 2nd Scientific Workshop on the Emission of Prompt Gamma-Rays in Fission and Related Topics CY SEP, 2013 CL Belgrade, SERBIA DE Nuclear fission; prompt fission gamma rays; prompt fission neutrons; correlations; U-235; Pu-239; Cf-252 AB Prompt fission gamma rays are calculated through Monte Carlo Hauser-Feshbach simulations of the decay of the primary fragments formed in the fission process. The CGMF code is used to track individual decay histories for specific initial fission fragment configurations, sampling emission probability distributions for both neutron and gamma-ray emissions at each stage of the evaporation process. The prompt fission gamma-ray spectrum averaged over all initial fission fragments is inferred as well as the average total number of emitted photons < N-gamma >. In addition, the probability distribution P(N-gamma) and individual spectra corresponding to specific fission fragments are computed. Results for several fission reactions of interest, Cf-252 (sf), nth+Pu-239, nth+U-235, are presented and compared with recent experimental data. (C) 2014 The Authors. Published by Elsevier B.V. C1 [Talou, Patrick; Stetcu, Ionel; Kawano, Toshihiko] Los Alamos Natl Lab, Div Theoret, Nucl Phys Grp, Los Alamos, NM 87545 USA. RP Talou, P (reprint author), Los Alamos Natl Lab, Div Theoret, Nucl Phys Grp, Los Alamos, NM 87545 USA. EM talou@lanl.gov NR 15 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1875-3892 J9 PHYSCS PROC PY 2014 VL 59 BP 83 EP 88 DI 10.1016/j.phpro.2014.10.013 PG 6 WC Physics, Nuclear SC Physics GA BF4GI UT WOS:000380878100012 ER PT S AU Jandel, M Rusev, G Bond, EM Bredeweg, TA Chadwick, MB Couture, A Fowler, MM Haight, RC Kawano, T Keksis, AL Mosby, SM O'Donnell, JM Rundberg, RS Stetcu, I Talou, P Ullmann, JL Vieira, DJ Wilhelmy, JB Stoyer, MA Haslett, RJ Henderson, RA Becker, JA Wu, CY AF Jandel, M. Rusev, G. Bond, E. M. Bredeweg, T. A. Chadwick, M. B. Couture, A. Fowler, M. M. Haight, R. C. Kawano, T. Keksis, A. L. Mosby, S. M. O'Donnell, J. M. Rundberg, R. S. Stetcu, I. Talou, P. Ullmann, J. L. Vieira, D. J. Wilhelmy, J. B. Stoyer, M. A. Haslett, R. J. Henderson, R. A. Becker, J. A. Wu, C. Y. BE Oberstedt, S TI Prompt Fission Gamma-Ray Studies at DANCE SO GAMMA-2 SCIENTIFIC WORKSHOP ON THE EMISSION OF PROMPT GAMMA-RAYS IN FISSION AND RELATED TOPICS SE Physics Procedia LA English DT Proceedings Paper CT 2nd Scientific Workshop on the Emission of Prompt Gamma-Rays in Fission and Related Topics CY SEP, 2013 CL Belgrade, SERBIA DE prompt fission gamma rays; induced fission; spontaneous fission; large detector array; gamma-ray calorimetry AB Measurements of correlated data on prompt-fission gamma-rays ( PFG) have been carried out for various actinide isotopes in recent years using the Detector for Advanced Neutron Capture Experiments ( DANCE) at Los Alamos National Laboratory ( LANL). We have developed a model that conveniently parametrizes the correlated data of gamma-ray multiplicity and energy. New results on twodimensional prompt-fission gamma-ray multiplicity versus energy distributions from spontaneous fission on Cf-252 and neutron-induced fission on Am-242m are presented together with previously obtained results on U-233,U-235 and Pu-239. Correlated PFG data from Cf-252 are also compared to results of the detailed theoretical model developed at LANL, for different thresholds of PFG energies. Future plans to measure correlated data on fission fragments, prompt fission neutrons and gamma-rays at DANCE are presented. Published by Elsevier B.V. C1 [Jandel, M.; Rusev, G.; Bond, E. M.; Bredeweg, T. A.; Chadwick, M. B.; Couture, A.; Fowler, M. M.; Haight, R. C.; Kawano, T.; Keksis, A. L.; Mosby, S. M.; O'Donnell, J. M.; Rundberg, R. S.; Stetcu, I.; Talou, P.; Ullmann, J. L.; Vieira, D. J.; Wilhelmy, J. B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Stoyer, M. A.; Haslett, R. J.; Henderson, R. A.; Becker, J. A.; Wu, C. Y.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Jandel, M (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM mjandel@lanl.gov NR 14 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1875-3892 J9 PHYSCS PROC PY 2014 VL 59 BP 101 EP 106 DI 10.1016/j.phpro.2014.10.016 PG 6 WC Physics, Nuclear SC Physics GA BF4GI UT WOS:000380878100015 ER PT S AU Carjan, N Hambsch, FJ Ivanyuk, FA Talou, P AF Carjan, N. Hambsch, F. -J. Ivanyuk, F. A. Talou, P. BE Oberstedt, S TI Scission Configurations for StI and StII Fission Modes in the Reaction U-235(nth, f) SO GAMMA-2 SCIENTIFIC WORKSHOP ON THE EMISSION OF PROMPT GAMMA-RAYS IN FISSION AND RELATED TOPICS SE Physics Procedia LA English DT Proceedings Paper CT 2nd Scientific Workshop on the Emission of Prompt Gamma-Rays in Fission and Related Topics CY SEP, 2013 CL Belgrade, SERBIA DE nuclear fission; fission fragment mass yield; total kinetic energy; total excitation energy ID FRAGMENTS; NEUTRONS; EMISSION; ENERGY AB Two scission configurations that can explain the fission fragment properties of the principal fission modes, short ( StI) and standard ( StII), in the reaction U-235(nth, f) are presented. These configurations are very close to the optimal scission shapes defined with three constraints: on fragment elongation, mass asymmetry and neck radius. They are subsequently approximated by the modified Cassini ovals in order to calculate fission fragment properties such as mass yields, excitation energies of individual fragments and total kinetic energies. For each configuration a comparison is made with the same quantities obtained from experimental data after decomposition into contributions from three fission modes. (C) 2014 Published by Elsevier B.V. C1 [Carjan, N.] Natl Inst Phys & Nucl Engn Horia Hulubei, Reactorului 30,POB MG6, RO-077125 Magurele, Romania. [Carjan, N.] Univ Bordeaux 1, IN2P3, CNRS, Ctr Etud Nucl Bordeaux Gradignan,UMR F 5797, F-33175 Gradignan, France. [Hambsch, F. -J.] Inst Reference Mat & Measurements, B-2440 Geel, Belgium. [Ivanyuk, F. A.] Inst Nucl Res, Kiev, Ukraine. [Talou, P.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Carjan, N (reprint author), Natl Inst Phys & Nucl Engn Horia Hulubei, Reactorului 30,POB MG6, RO-077125 Magurele, Romania. EM carjan@theory.nipne.ro NR 24 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1875-3892 J9 PHYSCS PROC PY 2014 VL 59 BP 173 EP 180 DI 10.1016/j.phpro.2014.10.027 PG 8 WC Physics, Nuclear SC Physics GA BF4GI UT WOS:000380878100026 ER PT S AU Mittal, S Vetter, JS Li, D AF Mittal, Sparsh Vetter, Jeffrey S. Li, Dong GP ACM TI WriteSmoothing: Improving Lifetime of Non-volatile Caches Using Intra-set Wear-leveling SO GLSVLSI'14: PROCEEDINGS OF THE 2014 GREAT LAKES SYMPOSIUM ON VLSI SE Proceedings - Great Lakes Symposium on VLSI LA English DT Proceedings Paper CT GLSVLSI'14: Proceedings of the 2014 Great Lakes Symposium on VLSI CY MAY 21-23, 2014 CL Houston, TX SP ACM Special interest group design automat DE Non-volatile memory; device lifetime; cache memory; intra-set write variation; wear-leveling; write endurance ID MEMORY; ARCHITECTURE; CIRCUIT; MRAM AB Driven by the trends of increasing core-count and bandwidth-wall problem, the size of last level caches (LLCs) has greatly increased. Since SRAM consumes high leakage power, researchers have explored use of non-volatile memories (NVMs) for designing caches as they provide high density and consume low leakage power. However, since NVMs have low write-endurance and the existing cache management policies are write variation -unaware, effective wear leveling techniques are required for achieving reasonable cache lifetimes using NVMs. We present WriteSmoothing, a technique for mitigating intra-set write variation in NVM caches. WriteSmoothing logically divides the cache -sets into multiple modules. For each module, WriteSmoothing collectively records number of writes in each way for any of the sets. It then periodically makes most frequently written ways in a module unavailable to shift the write -pressure to other ways in the sets of the module. Extensive simulation results have shown that on average, for single and dual core system configurations, WriteSmoothing improves cache lifetime by 2.17 x and 2.75 x, respectively. Also, its implementation overhead is small and it works well for a wide range of algorithm and system parameters. C1 [Mittal, Sparsh; Vetter, Jeffrey S.; Li, Dong] Oak Ridge Natl Lab, Future Technol Grp, Oak Rige, TN 37830 USA. RP Mittal, S (reprint author), Oak Ridge Natl Lab, Future Technol Grp, Oak Rige, TN 37830 USA. EM mittals@ornl.gov; vetter@ornl.gov; lid1@ornl.gov NR 19 TC 2 Z9 2 U1 1 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA SN 1066-1395 BN 978-1-4503-2816-6 J9 PR GR LAK SYMP VLSI PY 2014 BP 139 EP 144 DI 10.1145/2591513.2591525 PG 6 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF4CI UT WOS:000380617300036 ER PT S AU Ma, Z Dai, S AF Ma, Zhen Dai, Sheng BE Ma, Z Dai, S TI Stabilizing Gold Nanoparticles by Solid Supports SO HETEROGENEOUS GOLD CATALYSTS AND CATALYSIS SE RSC Catalysis Series LA English DT Article; Book Chapter ID TEMPERATURE CO OXIDATION; MESOPOROUS SILICA MATERIALS; GOLD/IRON CARBONYL CLUSTERS; NIAU ALLOY NANOPARTICLES; ATOMIC LAYER DEPOSITION; AU NANOPARTICLES; THERMAL-STABILITY; METAL NANOPARTICLES; SELECTIVE OXIDATION; HETEROGENEOUS CATALYSIS C1 [Ma, Zhen] Fudan Univ, Dept Environm Sci & Engn, Shanghai 200433, Peoples R China. [Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Ma, Z (reprint author), Fudan Univ, Dept Environm Sci & Engn, Shanghai 200433, Peoples R China. EM zhenma@fudan.edu.cn; dais@ornl.gov NR 147 TC 5 Z9 5 U1 2 U2 2 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 1757-6725 BN 978-1-78262-164-5; 978-1-84973-917-7 J9 RSC CATAL SER PY 2014 IS 18 BP 1 EP 26 D2 10.1039/9781782621645 PG 26 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA BG1UU UT WOS:000387109400002 ER PT S AU Ma, Z Dai, S AF Ma, Zhen Dai, Sheng BE Ma, Z Dai, S TI Heterogeneous Gold Catalysts and Catalysis Preface SO HETEROGENEOUS GOLD CATALYSTS AND CATALYSIS SE RSC Catalysis Series LA English DT Editorial Material; Book Chapter C1 [Ma, Zhen] Fudan Univ, Shanghai, Peoples R China. [Dai, Sheng] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Ma, Z (reprint author), Fudan Univ, Shanghai, Peoples R China. EM zhenma@fudan.edu.cn; dais@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 1757-6725 BN 978-1-78262-164-5; 978-1-84973-917-7 J9 RSC CATAL SER PY 2014 IS 18 BP V EP VII D2 10.1039/9781782621645 PG 3 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA BG1UU UT WOS:000387109400001 ER PT S AU Kang, Y Stamenkovic, VR Murray, CB AF Kang, Yijin Stamenkovic, Vojislav R. Murray, Christopher B. BE Ma, Z Dai, S TI Nanocrystal Superlattices: Novel Model Materials for Study of Catalysis SO HETEROGENEOUS GOLD CATALYSTS AND CATALYSIS SE RSC Catalysis Series LA English DT Article; Book Chapter ID ELECTRON-BEAM LITHOGRAPHY; TEMPERATURE CO OXIDATION; SUPPORTED GOLD CATALYSTS; CLOSE-PACKED STRUCTURES; GAS SHIFT REACTION; 2 DIFFERENT SIZES; NANOPARTICLE SUPERLATTICES; BINARY SUPERLATTICES; THERMAL-STABILITY; AU NANOPARTICLES C1 [Kang, Yijin; Murray, Christopher B.] Univ Penn, Dept Chem, 231 South 34th St, Philadelphia, PA 19104 USA. [Kang, Yijin; Stamenkovic, Vojislav R.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Murray, Christopher B.] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. RP Murray, CB (reprint author), Univ Penn, Dept Chem, 231 South 34th St, Philadelphia, PA 19104 USA. EM cbmurray@sas.upenn.edu NR 85 TC 0 Z9 0 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 1757-6725 BN 978-1-78262-164-5; 978-1-84973-917-7 J9 RSC CATAL SER PY 2014 IS 18 BP 47 EP 72 D2 10.1039/9781782621645 PG 26 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA BG1UU UT WOS:000387109400004 ER PT S AU Wu, ZL Overbury, SH AF Wu, Zili Overbury, Steven H. BE Ma, Z Dai, S TI Infrared Spectroscopic Insights into the Role of the Support in Heterogeneous Gold Catalysis SO HETEROGENEOUS GOLD CATALYSTS AND CATALYSIS SE RSC Catalysis Series LA English DT Article; Book Chapter ID TEMPERATURE CO OXIDATION; NIAU ALLOY NANOPARTICLES; GAS SHIFT REACTION; CARBON-MONOXIDE; MESOPOROUS SILICA; AU/TIO2 CATALYST; ISOTOPIC MIXTURES; AU NANOPARTICLES; AU/SIO2 CATALYST; FTIR SPECTRA C1 [Wu, Zili] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Wu, ZL (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM wuz1@ornl.gov; overburysh@ornl.gov NR 60 TC 0 Z9 0 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 1757-6725 BN 978-1-78262-164-5; 978-1-84973-917-7 J9 RSC CATAL SER PY 2014 IS 18 BP 512 EP 532 D2 10.1039/9781782621645 PG 21 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA BG1UU UT WOS:000387109400015 ER PT J AU Oh, H Habeck, C Madison, C Jagust, W AF Oh, Hwamee Habeck, Christian Madison, Cindee Jagust, William TI Covarying Alterations in Ab Deposition, Glucose Metabolism, and Gray Matter Volume in Cognitively Normal Elderly SO HUMAN BRAIN MAPPING LA English DT Article DE -amyloid; PET; glucose metabolism; gray matter volume; aging ID PRECLINICAL ALZHEIMERS-DISEASE; PITTSBURGH COMPOUND-B; HUMAN CEREBRAL-CORTEX; AMYLOID-BETA; NONDEMENTED INDIVIDUALS; NEURONAL DYSFUNCTION; AEROBIC GLYCOLYSIS; REGIONAL NETWORK; CORTICAL HUBS; OLDER PERSONS AB -Amyloid (A), a feature of Alzheimer's disease (AD) pathology, may precede reduced glucose metabolism and gray matter (GM) volume and cognitive decline in patients with AD. Accumulation of A, however, has been also reported in cognitively intact older people, although it remains unresolved whether and how A deposition, glucose metabolism, and GM volume relate to one another in cognitively normal elderly. Fifty-two cognitively normal older adults underwent Pittsburgh Compound B-positron emission tomography (PIB-PET), [F-18]fluorodeoxyglucose-PET, and structural magnetic resonance imaging to measure whole-brain amyloid deposition, glucose metabolism, and GM volume, respectively. Covariance patterns of these measures in association with global amyloid burden measured by PIB index were extracted using principal component analysis-based multivariate methods. Higher global amyloid burden was associated with relative increases of amyloid deposition and glucose metabolism and relative decreases of GM volume in brain regions collectively known as the default mode network including the posterior cingulate/precuneus, lateral parietal cortices, and medial frontal cortex. Relative increases of amyloid deposition and glucose metabolism were also noted in the lateral prefrontal cortices, and relative decreases of GM volume were pronounced in hippocampus. The degree of expression of the topographical patterns of the PIB data was further associated with visual memory performance when controlling for age, sex, and education. The present findings suggest that cognitively normal older adults with greater amyloid deposition are relatively hypermetabolic in frontal and parietal brain regions while undergoing GM volume loss in overlapping brain regions. Hum Brain Mapp 35:297-308, 2014. (c) 2012 Wiley Periodicals, Inc. C1 [Oh, Hwamee; Madison, Cindee; Jagust, William] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Habeck, Christian] Columbia Univ, Sch Med, Taub Inst, New York, NY USA. [Jagust, William] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Oh, H (reprint author), Univ Calif Berkeley, 132 Barker Hall,MC 3190, Berkeley, CA 94720 USA. EM hwameeoh@berkeley.edu FU NIH [R01-AG034570, 5R01-AG026114]; Alzheimer's Association FX Contract grant sponsor: NIH; Contract grant numbers: R01-AG034570, 5R01-AG026114; Contract grant sponsors: Alzheimer's Association. NR 74 TC 31 Z9 31 U1 2 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1065-9471 EI 1097-0193 J9 HUM BRAIN MAPP JI Hum. Brain Mapp. PD JAN PY 2014 VL 35 IS 1 BP 297 EP 308 DI 10.1002/hbm.22173 PG 12 WC Neurosciences; Neuroimaging; Radiology, Nuclear Medicine & Medical Imaging SC Neurosciences & Neurology; Radiology, Nuclear Medicine & Medical Imaging GA 264EN UT WOS:000327859900024 PM 22965806 ER PT J AU Saye, R Sethian, J AF Saye, Robert Sethian, James BE Ancona, F Bressan, A Marcati, P Marson, A TI NEW INTERFACE METHODS FOR TRACKING MULTIPHASE MULTIPHYSICS SO HYPERBOLIC PROBLEMS: THEORY, NUMERICS, APPLICATIONS SE AIMS Series on Applied Mathematics LA English DT Proceedings Paper CT 14th International Conference devoted to Theory, Numerics and Applications of Hyperbolic Problems (HYP) CY JUN 24-29, 2012 CL Padova, ITALY SP Univ Padova, Dipartimento Matematica, Univ Studi Aquila, Dipartimento Matematica Pura Applicata, Univ Padova, Univ Zurich, Univ Basel DE Interface Methods; Voronoi Implicit Interface Methods ID LEVEL; SIMULATION; CURVATURE; FRONTS AB We discuss the theory and application of new methods to track moving interfaces in multiphase settings. These problems are characterized by multiple regions connected together, and moving under complex physics. We review work on a new mathematical and algorithmic methodology, known as the "Voronoi Implicit Interface Method", to track such problems. C1 [Saye, Robert] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Saye, R (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. EM saye@math.berkeley.edu; sethian@math.berkeley.edu NR 14 TC 0 Z9 0 U1 0 U2 0 PU AMER INST MATHEMATICAL SCIENCES-AIMS PI SPRINGFIELD PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA BN 978-1-60133-017-8 J9 AIMS SER APPL MATH PY 2014 VL 8 BP 81 EP 87 PG 7 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA BF6WY UT WOS:000383745000006 ER PT J AU Lim, H Zhou, YJ de Almeida, VF Glimm, J AF Lim, Hyunkyung Zhou, Yijie de Almeida, Valmor F. Glimm, James BE Ancona, F Bressan, A Marcati, P Marson, A TI FULLY DEVELOPED TURBULENT MIXING IN AN ANNULAR SECTOR SO HYPERBOLIC PROBLEMS: THEORY, NUMERICS, APPLICATIONS SE AIMS Series on Applied Mathematics LA English DT Proceedings Paper CT 14th International Conference devoted to Theory, Numerics and Applications of Hyperbolic Problems (HYP) CY JUN 24-29, 2012 CL Padova, ITALY SP Univ Padova, Dipartimento Matematica, Univ Studi Aquila, Dipartimento Matematica Pura Applicata, Univ Padova, Univ Zurich, Univ Basel DE Two-phase mixture; turbulent fluid flow mixing; Taylor-Couette flow; chemical reactions; centrifugal contactor ID FRONT-TRACKING METHOD AB We review recent progress on the characterization of turbulent fluid flow mixing and relate these ideas to high-speed, two-phase Taylor-Couette flow with application to mixing in a centrifugal contactor. Here we began to investigate the mixing and dispersion of organic/aqueous phases with the goal of predicting the underlying interfacial area. The general ideas are more broadly applicable and have been applied to the study of Rayleigh-Taylor and Richtmyer-Meshkov fluid mixing, combustion in the engine of a scram jet and the analysis of inertial confinement pellet simulations. C1 [Lim, Hyunkyung; Zhou, Yijie; Glimm, James] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. [de Almeida, Valmor F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Glimm, James] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11793 USA. RP Lim, H (reprint author), SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. EM hyulim@ams.sunysb.edu; yzhou@ams.sunysb.edu; dealmeidav@ornl.gov; glimm@ams.sunysb.edu RI de Almeida, Valmor/P-5498-2016 OI de Almeida, Valmor/0000-0003-0899-695X NR 11 TC 0 Z9 0 U1 3 U2 3 PU AMER INST MATHEMATICAL SCIENCES-AIMS PI SPRINGFIELD PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA BN 978-1-60133-017-8 J9 AIMS SER APPL MATH PY 2014 VL 8 BP 623 EP 630 PG 8 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA BF6WY UT WOS:000383745000064 ER PT J AU Kotov, D Yee, HC Sjogreen, B AF Kotov, Dmitry Yee, H. C. Sjogreen, Bjorn BE Ancona, F Bressan, A Marcati, P Marson, A TI COMPARATIVE STUDY OF HIGH-ORDER POSITIVITY-PRESERVING WENO SCHEMES SO HYPERBOLIC PROBLEMS: THEORY, NUMERICS, APPLICATIONS SE AIMS Series on Applied Mathematics LA English DT Proceedings Paper CT 14th International Conference devoted to Theory, Numerics and Applications of Hyperbolic Problems (HYP) CY JUN 24-29, 2012 CL Padova, ITALY SP Univ Padova, Dipartimento Matematica, Univ Studi Aquila, Dipartimento Matematica Pura Applicata, Univ Padova, Univ Zurich, Univ Basel DE Positivity-preserving algorithms; WENO; Noh problem ID SHOCK-CAPTURING SCHEMES; STIFF SOURCE TERMS; EFFICIENT IMPLEMENTATION; EQUATIONS; RESOLUTION AB The objective of this study is to compare the results obtained by different non-positivity-preserving methods with the two recently developed high-order positivity-preserving schemes. Several test cases are considered, including classical Noh and Sedov 3D cases and also shock tube calculations related to NASA experiments. Studies indicate that the positivity preserving schemes produce more stable results than regular methods for the considered test cases. However some of the regular methods may obtain slightly more accurate results then the new methods for the certain problems. C1 [Kotov, Dmitry] Stanford Univ, Ctr Turbulence Res, 488 Escondido Mall Bldg 500, Stanford, CA 94305 USA. [Yee, H. C.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Sjogreen, Bjorn] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Kotov, D (reprint author), Stanford Univ, Ctr Turbulence Res, 488 Escondido Mall Bldg 500, Stanford, CA 94305 USA. EM dkotov@stanford.edu; Helen.M.Yee@nasa.gov; sjogreen2@llnl.gov NR 17 TC 0 Z9 0 U1 0 U2 0 PU AMER INST MATHEMATICAL SCIENCES-AIMS PI SPRINGFIELD PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA BN 978-1-60133-017-8 J9 AIMS SER APPL MATH PY 2014 VL 8 BP 1047 EP 1058 PG 12 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA BF6WY UT WOS:000383745000115 ER PT S AU Barzi, E Bellettini, G Donati, S AF Barzi, Emanuela Bellettini, Giorgio Donati, Simone BE Chova, LG Martinez, AL Torres, IC TI THE SCIENCE TRAINING PROGRAM FOR YOUNG ITALIAN PHYSICISTS AND ENGINEERS AT FERMILAB SO ICERI2014: 7TH INTERNATIONAL CONFERENCE OF EDUCATION, RESEARCH AND INNOVATION SE ICERI Proceedings LA English DT Proceedings Paper CT 7th International Conference of Education, Research and Innovation (ICERI) CY NOV 17-19, 2014 CL Seville, SPAIN DE Education; technology; Physics; Engineering; accelerators; superconductivity AB The summer training program for Italian undergraduate and graduate students at the Department of Energy (DOE) laboratory of Fermilab (Batavia, Illinois, USA), which was described two years ago at this Conference [1, 2, 3], grew recently very significantly in scope. Support was granted by the Scientists and Scholars in North America Foundation (ISSNAF) to the Cultural Association of Italians at Fermilab (CAIF) for a two-month training program for young associates of the Italian Engineering Professional Order (CNI). These young professionals will profit from training in the most advanced technical R& D taking place at Fermilab. This new program started in 2013, when CAIF hosted just 1 engineer. In 2014, the program has been expanded to include 4 engineers. In the future, it has the potential to become a major component of the CAIF educational effort. This extended program is rooted in the remarkable success of the summer training program for, at the time, undergraduate students in science. This program was started in 1984 by the Italian physicists of the Istituto Nazionale di Fisica Nucleare (INFN) collaborating in the Collider Detector experiment (CDF) at the Fermilab Tevatron proton-antiproton collider. In 1984 the program involved 4 physics students from Pisa University. This is to be compared to the 2014 program described in this paper, which includes 4 CNI engineers and 21 graduate and undergraduate students in physics and engineering, 2 of which are supported by ISSNAF and trained in Maryland at NASA's Goddard Space Flight Centre and at Stanford University. Besides describing the 2014 training programs, detailed information is given on the student recruiting process, on the programs themselves and how the trainees' performance is evaluated. C1 [Barzi, Emanuela] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Bellettini, Giorgio; Donati, Simone] Univ Pisa, I-56100 Pisa, Italy. [Bellettini, Giorgio; Donati, Simone] Ist Nazl Fis Nucl, Naples, Italy. RP Barzi, E (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. NR 4 TC 0 Z9 0 U1 0 U2 0 PU IATED-INT ASSOC TECHNOLOGY EDUCATION A& DEVELOPMENT PI VALENICA PA LAURI VOLPI 6, VALENICA, BURJASSOT 46100, SPAIN SN 2340-1095 BN 978-84-617-2484-0 J9 ICERI PROC PY 2014 BP 1874 EP 1882 PG 9 WC Education & Educational Research SC Education & Educational Research GA BE0US UT WOS:000367082901137 ER PT S AU Kulasekaran, S Ayyanar, R Atcitty, S AF Kulasekaran, Siddharth Ayyanar, Raja Atcitty, Stanley GP IEEE TI Switching frequency optimization of a high-frequency link based energy storage system SO IECON 2014 - 40TH ANNUAL CONFERENCE OF THE IEEE INDUSTRIAL ELECTRONICS SOCIETY SE IEEE Industrial Electronics Society LA English DT Proceedings Paper CT 40th Annual Conference of the IEEE-Industrial-Electronics-Society (IECON) CY OCT 29-NOV 01, 2014 CL Dallas, TX SP Inst Elect & Elect Engineers, IEEE Ind Elect Soc DE Energy storage system; Dual active bridge; optimization ID DC-CONVERTER; LOSSES AB There is currently a big thrust for integrating renewable resources to the electric grid. With increasing variable generation the need for energy storage devices has escalated. Traditional storage devices have bulky 60 Hz transformer to provide the electrical isolation from the grid. But, with the advent of advanced magnetic materials, power electronic topologies with high frequency link transformers are being researched. These systems have high power density and can be quickly dispatched for remote installations. This paper presents the design of the energy storage system consisting of the three phase rectifier and bi-directional dual active bride converter. It presents a methodology to optimize the switching frequency of the dual active bridge converter by minimizing the volume of the transformer and the total losses in the system. Frequency dependent and independent terms are aggregated and minimized over the range of switching frequency. C1 [Kulasekaran, Siddharth; Ayyanar, Raja] Arizona State Univ, Dept Elect Engn, Tempe, AZ 85281 USA. [Atcitty, Stanley] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kulasekaran, S (reprint author), Arizona State Univ, Dept Elect Engn, Tempe, AZ 85281 USA. EM skulasek@asu.edu; rayyanar@asu.edu; satcitt@sandia.gov NR 19 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1553-572X BN 978-1-4799-4032-5 J9 IEEE IND ELEC PY 2014 BP 1847 EP 1853 PG 7 WC Automation & Control Systems; Engineering, Industrial; Engineering, Electrical & Electronic SC Automation & Control Systems; Engineering GA BG5FY UT WOS:000389471601114 ER PT S AU Wijayasekara, D Manic, M McQueen, M AF Wijayasekara, Dumidu Manic, Milos McQueen, Miles GP IEEE TI Vulnerability Identification and Classification Via Text Mining Bug Databases SO IECON 2014 - 40TH ANNUAL CONFERENCE OF THE IEEE INDUSTRIAL ELECTRONICS SOCIETY SE IEEE Industrial Electronics Society LA English DT Proceedings Paper CT 40th Annual Conference of the IEEE-Industrial-Electronics-Society (IECON) CY OCT 29-NOV 01, 2014 CL Dallas, TX SP Inst Elect & Elect Engineers, IEEE Ind Elect Soc DE hidden impact bugs; bug database mining; vulnerability discovery; text mining; classification AB As critical and sensitive systems increasingly rely on complex software systems, identifying software vulnerabilities is becoming increasingly important. It has been suggested in previous work that some bugs are only identified as vulnerabilities long after the bug has been made public. These bugs are known as Hidden Impact Bugs (HIBs). This paper presents a hidden impact bug identification methodology by means of text mining bug databases. The presented methodology utilizes the textual description of the bug report for extracting textual information. The text mining process extracts syntactical information of the bug reports and compresses the information for easier manipulation. The compressed information is then utilized to generate a feature vector that is presented to a classifier. The proposed methodology was tested on Linux vulnerabilities that were discovered in the time period from 2006 to 2011. Three different classifiers were tested and 28% to 88% of the hidden impact bugs were identified correctly by using the textual information from the bug descriptions alone. Further analysis of the Bayesian detection rate showed the applicability of the presented method according to the requirements of a development team. C1 [Wijayasekara, Dumidu; Manic, Milos] Univ Idaho, Idaho Falls, ID 83402 USA. [McQueen, Miles] Idaho Natl Lab, Idaho Falls, ID USA. RP Wijayasekara, D (reprint author), Univ Idaho, Idaho Falls, ID 83402 USA. EM dumidu.wijayasekara@gmail.com; misko@ieee.org; miles.mcqueen@inl.gov NR 30 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1553-572X BN 978-1-4799-4032-5 J9 IEEE IND ELEC PY 2014 BP 3612 EP 3618 PG 7 WC Automation & Control Systems; Engineering, Industrial; Engineering, Electrical & Electronic SC Automation & Control Systems; Engineering GA BG5FY UT WOS:000389471603067 ER PT S AU Lambiase, R Altinbas, Z AF Lambiase, Robert Altinbas, Zeynep GP IEEE TI Circular Beam Scanning Power System for Isotope Production Upgrade SO IECON 2014 - 40TH ANNUAL CONFERENCE OF THE IEEE INDUSTRIAL ELECTRONICS SOCIETY SE IEEE Industrial Electronics Society LA English DT Proceedings Paper CT 40th Annual Conference of the IEEE-Industrial-Electronics-Society (IECON) CY OCT 29-NOV 01, 2014 CL Dallas, TX SP Inst Elect & Elect Engineers, IEEE Ind Elect Soc DE Power supplies; resonant circuits AB To increase the production of medical isotopes, an upgrade to the Brookhaven Linac Isotope Producer (BLIP) facility is now being designed and constructed. Currently, the ion beam strikes the isotope producing target in a single spot. With this upgrade, the ion beam will be directed to hit the target in circular patterns, distributing the heat of collision over a bigger area on the target. The power system to create the circular patterns requires orthogonal dipole magnets with sinusoidal currents which are ninety degrees apart from each other. This paper describes the design concept for powering the magnets and the control system that produces the correct waveforms despite component variations. C1 [Lambiase, Robert; Altinbas, Zeynep] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. RP Lambiase, R (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1553-572X BN 978-1-4799-4032-5 J9 IEEE IND ELEC PY 2014 BP 5026 EP 5028 PG 3 WC Automation & Control Systems; Engineering, Industrial; Engineering, Electrical & Electronic SC Automation & Control Systems; Engineering GA BG5FY UT WOS:000389471604117 ER PT J AU Polcari, J AF Polcari, John TI An Informative Interpretation of Decision Theory: Scalar Performance Measures for Binary Decisions SO IEEE ACCESS LA English DT Article DE Data compression; decision theory; detection algorithms; information measures; information theory; Kullback-Leibler divergence; log likelihood ratio; performance evaluation; performance measures; self-scaling property; signal processing algorithms; signal to noise ratio; statistical analysis AB A previous formulation for the application of information accounting to binary decision theory is extended to permit the quality of the decision to be quantitatively measured by evaluation of the underlying informational support. Both a single exemplar measure of information, separability, and its ensemble average equivalent, separation, are shown to measure the information support for decision quality (i.e., how well-informed is the decision), rather than the information support for decision adjudication (i.e., which hypothesis is the better choice) provided by predecision information measures. When compared to the traditional receiver operating characteristic, these measures present several functional advantages. They are scalar in nature, and may be directly optimized over secondary parameters, as well as being rigorously well posed and universally comparable. They incorporate the effects of all relevant decision components (prior information, observational information, and decision rule) in a unified manner while still being easily related to the predecision information measures of log likelihood ratio and generalized signal-to-noise ratio. They can be applied equally well to individual trials or composite averages, and evaluation does not require knowledge of the underlying truth. Compared to false alarm-oriented methods for assessing decision performance, their construction reduces sensitivity to tail effects in the underlying distributions. C1 [Polcari, John] Oak Ridge Natl Lab, Comp Sci & Math Div, Ctr Engn Sci Adv Res, Oak Ridge, TN 37831 USA. RP Polcari, J (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Ctr Engn Sci Adv Res, Oak Ridge, TN 37831 USA. EM polcarij@ornl.gov NR 16 TC 0 Z9 0 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2169-3536 J9 IEEE ACCESS JI IEEE Access PY 2014 VL 2 BP 1456 EP 1480 DI 10.1109/ACCESS.2014.2377593 PG 25 WC Computer Science, Information Systems; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA V43AH UT WOS:000209653800109 ER PT J AU Kundu, S Hiskens, IA AF Kundu, Soumya Hiskens, Ian A. TI Nonlinear Dynamics of Hysteresis-Based Load Controls SO IFAC PAPERSONLINE LA English DT Proceedings Paper CT 19th World Congress of the International-Federation-of-Automatic-Control (IFAC) CY AUG 24-29, 2014 CL Cape Town, SOUTH AFRICA SP Int Federat Automat Control DE Load control; PEV charging; bifurcations ID MANAGEMENT AB Direct load control can be achieved by varying the hysteresis band of switchable loads, thereby changing their on/off durations. Such hysteresis-based control methods may, however, display complex dynamics that must be thoroughly understood in order to design safe control mechanisms. This paper explores the dynamical behavior of a group of hysteresis-based PEV chargers. Of interest is the change in the total power demand of the group as the hysteresis band limits are varied. A detailed state-space model is used to capture the dynamics of the load aggregation. This model suggests that for certain control inputs, e.g. periodic ramp signals, the system may display rich dynamical behavior. It is observed that structural stability of the system may be disrupted as certain characteristics of the input signal are varied. The paper explores these phenomena through a bifurcation analysis of the load population dynamics. The results identify performance limitations that govern the responsiveness of fast-acting demand control. C1 [Kundu, Soumya] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Hiskens, Ian A.] Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA. RP Kundu, S (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. NR 9 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2405-8963 J9 IFAC PAPERSONLINE JI IFAC PAPERSONLINE PY 2014 VL 47 IS 3 BP 5419 EP 5425 PG 7 GA EG5TQ UT WOS:000391107600391 ER PT J AU Yang, I Morzfeld, M Tomlin, CJ Chorin, AJ AF Yang, Insoon Morzfeld, Matthias Tomlin, Claire J. Chorin, Alexandre J. TI Path Integral Formulation of Stochastic Optimal Control with Generalized Costs SO IFAC PAPERSONLINE LA English DT Proceedings Paper CT 19th World Congress of the International-Federation-of-Automatic-Control (IFAC) CY AUG 24-29, 2014 CL Cape Town, SOUTH AFRICA SP Int Federat Automat Control ID DIMENSIONALITY-FREE METHOD; DATA ASSIMILATION; PARTICLE FILTERS; HJB PDES AB Path integral control solves a class of stochastic optimal control problems with a Monte Carlo (MC) method for an associated Hamilton-Jacobi-Bellman (HJB) equation. The MC approach avoids the need for a global grid of the domain of the HJB equation and, therefore, path integral control is in principle applicable to control problems of moderate to large dimension. The class of problems path integral control can solve, however, is defined by requirements on the cost function, the noise covariance matrix and the control input matrix. We relax the requirements on the cost function by introducing a new state that represents an augmented running cost. In our new formulation the cost function can contain stochastic integral terms and linear control costs, which are important in applications in engineering, economics and finance. We find an efficient numerical implementation of our grid-free MC approach and demonstrate its performance and usefulness in examples from hierarchical electric load management. The dimension of one of our examples is large enough to make classical grid-based HJB solvers impractical. C1 [Yang, Insoon; Tomlin, Claire J.] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Morzfeld, Matthias; Chorin, Alexandre J.] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Morzfeld, Matthias; Chorin, Alexandre J.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Yang, I (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. EM iyang@eecs.berkeley.edu; tomlin@eecs.berkeley.edu; mmo@math.lbl.gov; chorin@math.berkeley.edu NR 24 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2405-8963 J9 IFAC PAPERSONLINE JI IFAC PAPERSONLINE PY 2014 VL 47 IS 3 BP 6994 EP 7000 PG 7 GA EG5TT UT WOS:000391108000163 ER PT J AU Rousseau, A Halbach, S Michaels, L Shidore, N Kim, N Kim, N Karbowski, D Kropinski, M AF Rousseau, A. Halbach, S. Michaels, L. Shidore, N. Kim, Na. Kim, N. Karbowski, D. Kropinski, M. TI Electric Drive Vehicle Development and Evaluation Using System Simulation SO IFAC PAPERSONLINE LA English DT Proceedings Paper CT 19th World Congress of the International-Federation-of-Automatic-Control (IFAC) CY AUG 24-29, 2014 CL Cape Town, SOUTH AFRICA SP Int Federat Automat Control DE Simulation; System Engineering; Control; Electric Drive Vehicles; Model Based System Engineering AB To reduce development time and introduce technologies faster to the market, many companies have been moving to Model-based System Engineering (MBSE). In MBSE, the development process centers around a multi-physics model of the complete system being developed, from requirements to design, implementation and test. Engineers can avoid a generation of system design processes based on hand coding, and use graphical models to design, analyze, and implement the software that determines system performance and behavior. This paper describes the process implemented in Autonomie, a Plug-and-Play Software Environment, to design and evaluate electric drive powertrain and component technologies in a multi-physics environment. We will discuss best practices and provide examples of the different steps of the V-diagram including model-in-the-loop, software-in-the-loop and component-in-the-loop simulation. C1 [Rousseau, A.; Halbach, S.; Michaels, L.; Shidore, N.; Kim, Na.; Kim, N.; Karbowski, D.] Argonne Natl Lab, Argonne, IL 60439 USA. [Kropinski, M.] Gen Motors, Milford, MI 48380 USA. RP Rousseau, A (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. EM arousseau@anl.gov; michael.kropinski@gm.com NR 14 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2405-8963 J9 IFAC PAPERSONLINE JI IFAC PAPERSONLINE PY 2014 VL 47 IS 3 BP 7886 EP 7891 PG 6 GA EG5TT UT WOS:000391108000305 ER PT J AU Chen, YS Huang, ZY AF Chen, Yousu Huang, Zhenyu TI A High Performance Computing Platform for Performing High-Volume Studies with Windows-based Power Grid Tools SO IFAC PAPERSONLINE LA English DT Proceedings Paper CT 19th World Congress of the International-Federation-of-Automatic-Control (IFAC) CY AUG 24-29, 2014 CL Cape Town, SOUTH AFRICA SP Int Federat Automat Control DE High performance computing; power grid; power system operation ID TRANSIENT STABILITY SIMULATION; PARALLEL AB Serial Windows-based programs are widely used in power utilities. For applications that require high-volume simulations, the sequential runtime can be in the order of days or weeks. The lengthy runtime, along with the availability of low-cost hardware, is leading utilities to seriously consider high performance computing (HPC) techniques. However, the majority of the HPC computers are Linux-based, and many HPC applications have been custom developed without considering existing simulation tools and ease of use. This has created a technical gap for applying HPC-based tools to today's power grid studies using Windows-based tools. To fill this gap and accelerate the acceptance and adoption of HPC for power grid applications, this paper presents a prototype of a generic HPC platform for running Windows-based power grid tools on the Linux-based HPC environment. The preliminary results show that the runtime can be significantly reduced from weeks to hours to improve work efficiency. C1 [Chen, Yousu] Pacific Northwest Natl Lab, Battelle Seattle Res Ctr, Seattle, WA 98109 USA. [Huang, Zhenyu] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. RP Chen, YS (reprint author), Pacific Northwest Natl Lab, Battelle Seattle Res Ctr, Seattle, WA 98109 USA. EM yousu.chen@pnnl.gov; zhenyu.huang@pnnl.gov NR 10 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2405-8963 J9 IFAC PAPERSONLINE JI IFAC PAPERSONLINE PY 2014 VL 47 IS 3 BP 10772 EP 10777 PG 6 GA EG5UE UT WOS:000391109200294 ER PT J AU Leva, A Zavaglio, E Bonvini, M AF Leva, Alberto Zavaglio, Erica Bonvini, Marco TI Dynamic modelling of desiccant wheels for the design of energy-efficient air handling units SO IFAC PAPERSONLINE LA English DT Proceedings Paper CT 19th World Congress of the International-Federation-of-Automatic-Control (IFAC) CY AUG 24-29, 2014 CL Cape Town, SOUTH AFRICA SP Int Federat Automat Control DE Dynamic modelling; desiccant wheels; energy efficiency; air handling units ID CONTROL STRATEGY; PROPOSAL; SYSTEMS AB Desiccant wheels can improve the efficiency of air handling units, as their inherent heat recovery capabilities reduce the external energy needs. On the other hand, however, desiccant wheels introduce state variable interactions that are not present in traditional units. Hence, to actually yield the possible advantages, air handling units with desiccant wheels require accurate control, which in turn calls for dynamic wheel models that can be parametrised from design data, so as to allow for virtual prototyping, and couple reliability with numerical efficiency, to deliver the numerous system-level simulations required with an acceptable computational effort. This paper proposes a dynamic model for desiccant wheels fulfilling the above requirements. To support the proposal, examples ere reported on the use of the proposed model for the design and control of innovative unit layouts. C1 [Leva, Alberto; Zavaglio, Erica] Politecn Milan, Dipartimento Elettron Informaz & Bioingn, Piazza Leonardo da Vinci 32, I-20133 Milan, Italy. [Bonvini, Marco] Lawrence Berkeley Natl Lab, Berkeley, CA 94704 USA. RP Leva, A (reprint author), Politecn Milan, Dipartimento Elettron Informaz & Bioingn, Piazza Leonardo da Vinci 32, I-20133 Milan, Italy. EM alberto.leva@polimi.it; erica.zavaglio@polimi.it; mbonvini@lbl.gov NR 12 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2405-8963 J9 IFAC PAPERSONLINE JI IFAC PAPERSONLINE PY 2014 VL 47 IS 3 BP 11629 EP 11634 PG 6 GA EG5UE UT WOS:000391109200434 ER PT S AU Van de Sompel, H Klein, M Shankar, H AF Van de Sompel, Herbert Klein, Martin Shankar, Harihar BE Watt, SM Davenport, JH Sexton, AP Sojka, P Urban, J TI Towards Robust Hyperlinks for Web-Based Scholarly Communication SO INTELLIGENT COMPUTER MATHEMATICS, CICM 2014 SE Lecture Notes in Artificial Intelligence LA English DT Proceedings Paper CT International Conference on Intelligent Computer Mathematics (CICM) CY JUL 07-11, 2014 CL Univ Coimbra, Coimbra, PORTUGAL SP Univ Coimbra, Ctr Informat & Syst, Univ Aveiro, Ctr Res & Dev Math & Applicat, Ministerio Educacao & Ciencia, Fundacao Ciencia & Tecnologia, Maplesoft HO Univ Coimbra DE scholarly communication; web archiving; reference rot; digital preservation AB As the scholarly communication system evolves to become natively web-based, hyperlinks are increasingly used to refer to web resources that are created or used in the course of the research process. These hyperlinks are subject to reference rot: a link may break or the linked content may drift and eventually no longer be representative of the content intended by the link. The Hiberlink project quantifies the problem and investigates approaches aimed at alleviating it. The presentation will provide an insight in the project's findings that result from mining a massive body of scholarly literature spanning the period from 1997 to 2012. It will also provide an overview of components of a possible solution: pro-active web archiving, links with added attributes, and the Memento "Time Travel for the Web" protocol. C1 [Van de Sompel, Herbert; Klein, Martin; Shankar, Harihar] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Van de Sompel, H (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM herbertv@lanl.gov; mklein@lanl.gov; harihar@lanl.gov OI Klein, Martin/0000-0003-0130-2097 NR 7 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER INT PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 0302-9743 BN 978-3-319-08434-3 J9 LECT NOTES ARTIF INT PY 2014 VL 8543 BP 12 EP 25 PG 14 WC Computer Science, Artificial Intelligence; Computer Science, Interdisciplinary Applications; Mathematics SC Computer Science; Mathematics GA BG6QY UT WOS:000390823000002 ER PT B AU Wu, J Zhu, DJ Tan, HW Li, FT Fang, P Chen, SQ Chen, H AF Wu, Jiang Zhu, Dajian Tan, Hongwei Li, Fengting Fang, Ping Chen, Shuqin Chen, Hua BE Corcoran, PB Hollingshead, BP TI Towards a sustainability-oriented university: Tongji practice SO INTERGENERATIONAL LEARNING AND TRANSFORMATIVE LEADERSHIP FOR SUSTAINABLE FUTURES LA English DT Article; Book Chapter C1 [Wu, Jiang] Coll Architecture & Urban Planning, Ann Arbor, MI 48109 USA. [Wu, Jiang] Tongji Univ, Shanghai, Peoples R China. [Wu, Jiang; Tan, Hongwei; Li, Fengting; Fang, Ping] Inst Environm Sustainable Dev, Varanasi, Uttar Pradesh, India. [Wu, Jiang] Tongji Univ, Coll Architecture & Urban Planning, Shanghai, Peoples R China. [Wu, Jiang] Tongji Univ, Human Resource Dept, Shanghai, Peoples R China. [Wu, Jiang] Shanghai Planning & Land Resources Bur, Shanghai, Peoples R China. [Wu, Jiang] UNESCO Architectural Educ Assessment Comm, Int Union Architects UIA, Paris, France. [Wu, Jiang] Natl Guiding Comm Higher Educ Architecture, Singapore, Singapore. [Wu, Jiang] Inst laVille Mouvement IVM, Architectural Soc China, Paris, France. [Wu, Jiang] Int Urban Planning & Environm Assoc Councils, Irvine, CA USA. [Wu, Jiang] Global Univ Partnership Environm & Sustainabil St, San Francisco, CA USA. [Zhu, Dajian] Tongji Univ, Sch Econ & Management, Shanghai, Peoples R China. [Zhu, Dajian] Tongji Univ, Dept Publ Management, Shanghai, Peoples R China. [Zhu, Dajian] Tongji Univ, Inst Governance Sustainable Dev, Shanghai, Peoples R China. [Zhu, Dajian] Harvard Univ, Cambridge, MA 02138 USA. [Zhu, Dajian] Social Sci Commiss, London, England. [Zhu, Dajian] Chinese Educ Minist, Guangzhou, Guangdong, Peoples R China. [Zhu, Dajian] Experts Commiss Sustainable Dev & Resource & Envi, Shanghai, Peoples R China. [Zhu, Dajian] Chinese Construct Minist, Guangzhou, Guangdong, Peoples R China. [Zhu, Dajian] Shanghai Municipal Govt, Shanghai, Peoples R China. [Tan, Hongwei] Sch Mech & Energy Engn, Linkoping, Sweden. [Tan, Hongwei] Chinese Green Univ Network, Toronto, ON, Canada. [Li, Fengting] Tongji Univ, Coll Environm Sci & Engn, Shanghai, Peoples R China. [Li, Fengting] Univ Georgia, Athens, GA 30602 USA. [Fang, Ping; Chen, Hua] Coll Environm Sci & Engn, London, England. [Chen, Shuqin] China Green Univ Network, Shanghai, Peoples R China. [Chen, Shuqin] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Chen, Hua] China Communist Party, Shanghai, Peoples R China. [Chen, Hua] Communist Youth League Comm Tongji, Shanghai, Peoples R China. [Chen, Hua] Preparatory Off Centennial Anniversary Tongji, Shanghai, Peoples R China. RP Wu, J (reprint author), Coll Architecture & Urban Planning, Ann Arbor, MI 48109 USA. NR 5 TC 0 Z9 0 U1 0 U2 0 PU WAGENINGEN ACAD PUBL PI WAGENINGEN PA POSTBUS 220, 6700 AE WAGENINGEN, NETHERLANDS BN 978-90-8686-802-5; 978-90-8686-252-8 PY 2014 BP 355 EP 367 D2 10.3920/978-90-8686-802-5 PG 13 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Education & Educational Research SC Science & Technology - Other Topics; Education & Educational Research GA BF9IG UT WOS:000385637500033 ER PT S AU Han, YF Shen, B Hu, HJ Fan, F AF Han, Yafeng Shen, Bo Hu, Huajin Fan, Fei BE Yan, J Lee, DJ Chou, SK Desideri, U Li, H TI Optimizing the performance of ice-storage systems in electricity load management through a credit mechanism: An analytical work for Jiangsu, China SO INTERNATIONAL CONFERENCE ON APPLIED ENERGY, ICAE2014 SE Energy Procedia LA English DT Proceedings Paper CT 6th International Conference on Applied Energy (ICAE) CY MAY 30-JUN 02, 2014 CL Taipei, TAIWAN DE ice-storage air-conditioning; thermal energy storage; electricity credit; load management; demand response AB Ice-storage air-conditioning is a technique that uses ice for thermal energy storage. Replacing existing air conditioning systems with ice storage has the advantage of shifting the load from on-peak times to off-peak times that often have excess generation. However, increasing the use of ice-storage faces significant challenges in China. One major barrier is the inefficiency in the current electricity tariff structure. There is a lack of effective incentive mechanism that induces ice-storage systems from achieving optimal load-shifting results. This study presents an analysis that compares the potential impacts of ice-storage systems on load-shifting under a new credit-based incentive scheme and the existing incentive arrangement in Jiangsu, China. The study indicates that by changing how ice-storage systems are incentivized in Jiangsu, load-shifting results can be improved. Crown Copyright (C) 2014 Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/). C1 [Han, Yafeng; Shen, Bo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Han, Yafeng] Xi An Jiao Tong Univ, Sch Econ & Finance, Xian 710049, Shannxi Provinc, Peoples R China. [Hu, Huajin] Bruce Power, 3394 Bruce Cty Rd, Toronto, ON, Canada. [Fan, Fei] Arizona State Univ, Tempe, AZ 85281 USA. RP Han, YF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM yafenghan@lbl.gov NR 3 TC 3 Z9 3 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2014 VL 61 BP 2876 EP 2879 DI 10.1016/j.egypro.2014.12.327 PG 4 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA BE7UT UT WOS:000375936100638 ER PT J AU te Velthuis, SGE Pappas, C AF te Velthuis, S. G. E. Pappas, C. TI Magnetism and magnetic materials probed with neutron scattering SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE Neutron scattering; Magnetic frustration; Superconductivity; Nanostructure; Nanocomposite AB Neuron scattering techniques are becoming increasingly accessible to a broader range of scientific communities, in part due to the onset of next generation, high power spallation sources, high-performance, sophisticated instruments and data analysis tools. These technical advances also advantageously impact research into magnetism and magnetic materials, where neutrons play a major role. In this Current Perspective series, the achievements and future prospects of elastic and inelastic neutron scattering, polarized neutron reflectometry, small angle neutron scattering, and neutron imaging, are highlighted as they apply to research into magnetic frustration, superconductivity and magnetism at the nanoscale. (C) 2013 Published by Elsevier B.V. C1 [te Velthuis, S. G. E.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Pappas, C.] Delft Univ Technol, Fac Sci Appl, NL-2629 JB Delft, Netherlands. RP te Velthuis, SGE (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM tevelthuis@anl.gov RI te Velthuis, Suzanne/I-6735-2013 OI te Velthuis, Suzanne/0000-0002-1023-8384 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Work at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences under Contract no. DE-AC02-06CH11357. NR 10 TC 0 Z9 0 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 EI 1873-4766 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD JAN PY 2014 VL 350 BP 86 EP 87 DI 10.1016/j.jmmm.2013.09.034 PG 2 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 262ZI UT WOS:000327776000016 ER PT J AU Leiner, J Kirby, BJ Fitzsimmons, MR Tivakornsasithorn, K Liu, X Furdyna, JK Dobrowolska, M AF Leiner, J. Kirby, B. J. Fitzsimmons, M. R. Tivakornsasithorn, K. Liu, X. Furdyna, J. K. Dobrowolska, M. TI Magnetic depth profile in GaMnAs layers with vertically graded Mn concentrations SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE GaMnAs; Diluted magnetic semiconductors ID FILMS; MEDIA AB Controlled vertical grading of magnetization of the ferromagnetic semiconductor GaMnAs represents a significant step toward optimizing its magnetic properties for device applications. Quantitative control of such grading is difficult due to various competing effects, such as Mn diffusion, self-annealing, and diffusion of charge carriers. Furthermore, there are also several surface effects that can influence the magnetization profile, which should be considered in designing and fabricating graded GaMnAs specimens. However, we show that vertical magnetization gradients in GaMnAs layers can be readily achieved by appropriate growth strategies. In this paper we describe the preparation, magnetization measurements, and polarized neutron reflectometry studies of vertically graded GaMnAs layers, which provide direct evidence that vertical grading of Mn concentration has been successfully achieved in our GaMnAs samples. Our measurements also indicate that these graded samples exhibit. magnetic "hardening" near the surface. Published by Elsevier B.V. C1 [Leiner, J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Kirby, B. J.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Fitzsimmons, M. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Tivakornsasithorn, K.] Mahidol Univ, Dept Phys, Fac Sci, Bangkok 10400, Thailand. [Liu, X.; Furdyna, J. K.; Dobrowolska, M.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. RP Leiner, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM leinerjc@ornl.gov FU NSF [DMR10-05851]; DOE [DE-AC52-06NA25396] FX This work was supported by the NSF Grant DMR10-05851. We acknowledge the use of the facilities at the Lujan Neutron Scattering Center at Los Alamos National Laboratory. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. NR 15 TC 1 Z9 1 U1 3 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 EI 1873-4766 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD JAN PY 2014 VL 350 BP 135 EP 140 DI 10.1016/j.jmmm.2013.09.004 PG 6 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 262ZI UT WOS:000327776000025 ER PT J AU Tranquada, JM Xu, GY Zaliznyak, IA AF Tranquada, John M. Xu, Guangyong Zaliznyak, Igor A. TI Superconductivity, antiferromagnetism, and neutron scattering SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE Neutron scattering; Superconductivity; Antiferromagnetism ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; T-C SUPERCONDUCTORS; SPIN-DENSITY-WAVE; CUPRATE SUPERCONDUCTORS; IRON PNICTIDES; UNCONVENTIONAL SUPERCONDUCTORS; HEISENBERG-ANTIFERROMAGNET; MAGNETIC EXCITATIONS; ELECTRONIC-STRUCTURE; SYMMETRY-BREAKING AB High-temperature superconductivity in both the copper-oxide and the iron-pnictide/chalcogenide systems occurs in close proximity to antiferromagnetically ordered states. Neutron scattering has been an essential technique for characterizing the spin correlations in the antiferromagnetic phases and for demonstrating how the spin fluctuations persist in the superconductors. While the nature of the spin correlations in the superconductors remains controversial, the neutron scattering measurements of magnetic excitations over broad ranges of energy and momentum transfers provide important constraints on the theoretical options. We present an overview of the neutron scattering work on high-temperature superconductors and discuss some of the outstanding issues. (C) 2013 Elsevier B.V. All rights reserved. C1 [Tranquada, John M.; Xu, Guangyong; Zaliznyak, Igor A.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Tranquada, JM (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM jtran@bnl.gov RI Zaliznyak, Igor/E-8532-2014; Tranquada, John/A-9832-2009; Xu, Guangyong/A-8707-2010 OI Zaliznyak, Igor/0000-0002-9886-3255; Tranquada, John/0000-0003-4984-8857; Xu, Guangyong/0000-0003-1441-8275 FU Office of Basic Energy Sciences, Division of Materials Science and Engineering, U.S. Department of Energy (DOE) [DE-AC02-98CH10886] FX 0 The a0uthors are supported by the Office of Basic Energy Sciences, Division of Materials Science and Engineering, U.S. Department of Energy (DOE), under Contract No, DE-AC02-98CH10886. NR 197 TC 25 Z9 25 U1 3 U2 61 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 EI 1873-4766 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD JAN PY 2014 VL 350 BP 148 EP 160 DI 10.1016/j.jmmm.2013.09.029 PG 13 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 262ZI UT WOS:000327776000027 ER PT J AU Fitzsimmons, MR Schuller, IK AF Fitzsimmons, M. R. Schuller, Ivan K. TI Neutron scattering-The key characterization tool for nanostructured magnetic materials SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE Nanomagnetism; Neutron scattering; Magnetic interfaces ID EXCHANGE BIAS; THIN-FILMS; FERROMAGNET/ANTIFERROMAGNET BILAYERS; POLARIZED HE-3; T-N; ANISOTROPY; STRAIN; MAGNETORESISTANCE; NANOMAGNETISM; CONNECTIVITY AB The novel properties of materials produced using nanoscale manufacturing processes often arise from interactions across interfaces between dissimilar materials. Thus, to characterize the structure and magnetism of nanoscale materials demands tools with interface specificity. Neutron scattering has long been known to provide unique and quantitative information about nuclear and magnetic structures of bulk materials. Moreover, the specialty techniques of polarized neutron reflectometry and small angle neutron scattering (SANS) with polarized neutron beams and polarization analysis, are ideally and often uniquely suited to studies of nanostructured magnetic materials. Since neutron scattering is a weakly interacting probe, it gives quantifiable and easily-interpreted information on properties of statistically representative quantities of bulk, thin film and interfacial materials. In addition, neutron scattering can provide information to complement that obtained with bulk probes (magnetization, Kerr effect) or surface measurements obtained with scanning probe microscopy or resonant soft x-ray scattering. The straightforward interpretation and the simultaneous availability of structural information, make neutron scattering the technique of choice for the structural and physical characterization of many novel materials, especially those with buried interfaces, ones allowing for isotopic substitutions to decorate buried interfaces, or cases where the magnetic response to an external stimulus can be measured. We describe recent applications of neutron scattering to important thin film materials systems and future opportunities. Unquestionably, neutron scattering has played a decisive role in the development and study of new emergent phenomena. We argue with the advent of new techniques in neutron scattering and sample environment, neutron scattering's role in such studies will become even more dominant. In particular, neutron scattering will clarify and distinguish between intrinsic vs. extrinsic origins of unusual behavior which invariably plague novel materials. Key to realizing these opportunities will be the development of sample environment capabilities especially tailored to test the origins of novel phenomena, and techniques to collect, analyze and correlate neutron event detection with time dependent perturbations to the sample's environment. (C) 2013 Elsevier B.V. All rights reserved. C1 [Fitzsimmons, M. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Schuller, Ivan K.] Univ Calif San Diego, San Diego, CA 92103 USA. RP Fitzsimmons, MR (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM fitz@lanl.gov FU Office of Basic Energy Science-Materials Sciences and Engineering, U.S. Department of Energy; Office of Basic Energy Science, DMR [DE FG03-87ER-45332]; DOE [DE-AC52-06NA25396] FX Valuable discussions with Dr. S. Bader (ANL), Dr. J.A. Borchers (NIST), E.D. Dahlberg (UMN), Dr. J. Freeland (ANL) Dr. S.G.E. teVelthuis (ANL), and Q. Wang (LANL) are gratefully acknowledged. This work was supported by the Office of Basic Energy Science-Materials Sciences and Engineering, U.S. Department of Energy and Office of Basic Energy Science, DMR under Grant DE FG03-87ER-45332, Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE contract DE-AC52-06NA25396. NR 64 TC 8 Z9 8 U1 2 U2 42 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 EI 1873-4766 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD JAN PY 2014 VL 350 BP 199 EP 208 DI 10.1016/j.jmmm.2013.09.028 PG 10 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 262ZI UT WOS:000327776000034 ER PT J AU Mauger, SA Li, J Ozmen, OT Yang, AY Friedrich, S Rail, MD Berben, LA Moule, AJ AF Mauger, Scott A. Li, Jun Ozmen, Ozge Tuzun Yang, Andy Y. Friedrich, Stephan Rail, M. Diego Berben, Louise A. Moule, Adam J. TI High work-function hole transport layers by self-assembly using a fluorinated additive SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID POLYMER SOLAR-CELLS; OPEN-CIRCUIT VOLTAGE; ORGANIC PHOTOVOLTAICS; MODIFIED CATHODE; EFFICIENT; PERFORMANCE; INTERLAYER; COPOLYMER; BLENDS AB The hole transport polymer poly(3,4-ethylenedioxythiophene):poly(4-styrenesulfonate) (PEDOT:PSS) derives many of its favorable properties from a PSS-rich interfacial layer that forms spontaneously during coating. Since PEDOT: PSS is only usable as a blend it is not possible to study PEDOT: PSS without this interfacial layer. Through the use of the self-doped polymer sulfonated poly(thiophene-3-[2-(2-methoxyethoxy) ethoxy]-2,5-diyl) (S-P3MEET) and a polyfluorinated ionomer (PFI) it is possible to compare transparent conducting organic films with and without interfacial layers and to understand their function. Using neutron reflectometry, we show that PFI preferentially segregates at the top surface of the film during coating and forms a thermally-stable surface layer. Because of this distribution we find that even small amounts of PFI increase the electron work function of the hole transport layer. We also find that annealing at 150 degrees C and above reduces the work function compared to samples heated at lower temperatures. Using near edge X-ray absorption fine structure spectroscopy and gas chromatography we show that this reduction in work function is due to S-P3MEET being doped by PFI. Organic photovoltaic devices with S-P3MEET/PFI hole transport layers yield higher power conversion efficiency than devices with pure S-P3MEET or PEDOT: PSS hole transport layers. Additionally, devices with a doped interface layer of S-P3MEET/PFI show superior performance to those with un-doped S-P3MEET. C1 [Mauger, Scott A.; Li, Jun; Yang, Andy Y.; Moule, Adam J.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Ozmen, Ozge Tuzun] Duzce Univ, Dept Phys, TR-81620 Duzce, Turkey. [Friedrich, Stephan] Lawrence Livermore Natl Lab, Adv Detector Grp, Livermore, CA 94550 USA. [Rail, M. Diego; Berben, Louise A.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Moule, AJ (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. EM amoule@ucdavis.edu OI Moule, Adam/0000-0003-1354-3517 FU US Department of Energy EERE Solar America Initiative [DE-FG3608GO18018]; DOE Office of Basic Energy Sciences and Los Alamos National Laboratory [DE-AC52-06NA25396]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work and S.A.M. were supported by the US Department of Energy EERE Solar America Initiative under Contract no. DE-FG3608GO18018. This work benefited from the use of the Lujan Neutron Scattering Center at LANSCE funded by the DOE Office of Basic Energy Sciences and Los Alamos National Laboratory under DOE Contract DE-AC52-06NA25396 and we thank Jarek Majewski and Peng Wang for their assistance with measurements and data analysis. Part of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We would also like to thank Plextronics for the donation of S-P3MEET and Jonas Bergqvist and the research group of Prof. Mats Andersson for providing the APFO-3 polymer. We thank Elke Arenholz for help with the NEXAFS measurements. L.A.B. is a Alfred P. Sloan Foundation Fellow. NR 35 TC 11 Z9 11 U1 7 U2 39 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 2014 VL 2 IS 1 BP 115 EP 123 DI 10.1039/c3tc30973h PG 9 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 264AO UT WOS:000327849500014 ER PT B AU Pabst, G Kucerka, N Nieh, MP Katsaras, J AF Pabst, Georg Kucerka, Norbert Nieh, Mu-Ping Katsaras, John BE Pabst, G Kucerka, N Nieh, MP Katsaras, J TI Liposomes, Lipid Bilayers and Model Membranes From Basic Research to Application Preface SO LIPOSOMES, LIPID BILAYERS AND MODEL MEMBRANES: FROM BASIC RESEARCH TO APPLICATION LA English DT Editorial Material; Book Chapter C1 [Pabst, Georg] Graz Univ, Inst Mol Biosci, Graz, Austria. [Kucerka, Norbert] Canadian Neutron Beam Ctr, Chalk River, ON, Canada. [Kucerka, Norbert] Comenius Univ, Dept Phys Chem Drugs, Bratislava, Slovakia. [Nieh, Mu-Ping] Univ Connecticut, Dept Chem Mat & Biomol Engn, Storrs, CT USA. [Katsaras, John] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. [Katsaras, John] Joint Inst Neutron Sci, Oak Ridge, TN USA. [Katsaras, John] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Katsaras, John] Canadian Neutron Beam Ctr, Chalk River, ON, Canada. RP Pabst, G (reprint author), Graz Univ, Inst Mol Biosci, Graz, Austria. NR 0 TC 0 Z9 0 U1 1 U2 5 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-0711-1; 978-1-4665-0709-8 PY 2014 BP IX EP X D2 10.1201/b16617 PG 2 WC Biophysics; Biotechnology & Applied Microbiology; Pharmacology & Pharmacy SC Biophysics; Biotechnology & Applied Microbiology; Pharmacology & Pharmacy GA BE5CF UT WOS:000372549800001 ER PT B AU Pan, JJ Kucerka, N Nieh, MP Heberle, FA Drazba, P Katsaras, J AF Pan, Jianjun Kucerka, Norbert Nieh, Mu-Ping Heberle, Frederick A. Drazba, Paul Katsaras, John BE Pabst, G Kucerka, N Nieh, MP Katsaras, J TI Lipid Diversity and Its Implications for Membrane Organization SO LIPOSOMES, LIPID BILAYERS AND MODEL MEMBRANES: FROM BASIC RESEARCH TO APPLICATION LA English DT Article; Book Chapter ID X-RAY-SCATTERING; SMALL-ANGLE NEUTRON; RESIDUAL DIPOLAR COUPLINGS; SOLID-STATE NMR; BICELLAR SYSTEMS; PSEUDOMONAS-AERUGINOSA; PHOSPHOLIPID-BILAYERS; DOCOSAHEXAENOIC ACID; BACTERIAL LIPOPOLYSACCHARIDES; CAPILLARY-ELECTROPHORESIS C1 [Pan, Jianjun; Heberle, Frederick A.; Drazba, Paul; Katsaras, John] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. [Kucerka, Norbert] Canadian Neutron Beam Ctr, Chalk River, ON, Canada. [Kucerka, Norbert] Comenius Univ, Dept Phys Chem & Drugs, Bratislava, Slovakia. [Nieh, Mu-Ping] Univ Connecticut, Dept Chem Mat & Biomol Engn, Storrs, CT USA. [Drazba, Paul; Katsaras, John] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Katsaras, John] Joint Inst Neutron Sci, Oak Ridge, TN USA. RP Pan, JJ (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. NR 144 TC 0 Z9 0 U1 1 U2 4 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-0711-1; 978-1-4665-0709-8 PY 2014 BP 125 EP 142 D2 10.1201/b16617 PG 18 WC Biophysics; Biotechnology & Applied Microbiology; Pharmacology & Pharmacy SC Biophysics; Biotechnology & Applied Microbiology; Pharmacology & Pharmacy GA BE5CF UT WOS:000372549800008 ER PT B AU Heberle, FA Petruzielo, RS Goh, SL Konyakhina, TM Ackerman, DG Amazon, JJ Feigenson, GW AF Heberle, Frederick A. Petruzielo, Robin S. Goh, Shih Lin Konyakhina, Tatyana M. Ackerman, David G. Amazon, Jonathan J. Feigenson, Gerald W. BE Pabst, G Kucerka, N Nieh, MP Katsaras, J TI Liposome-Based Models for Membrane Rafts Methodology and Applications SO LIPOSOMES, LIPID BILAYERS AND MODEL MEMBRANES: FROM BASIC RESEARCH TO APPLICATION LA English DT Article; Book Chapter ID RESONANCE ENERGY-TRANSFER; GIANT UNILAMELLAR VESICLES; SMALL-ANGLE NEUTRON; X-RAY-SCATTERING; DIFFERENTIAL SCANNING CALORIMETRY; DETERGENT-RESISTANT MEMBRANES; TIME-RESOLVED FLUORESCENCE; ELECTRON-SPIN-RESONANCE; LIPID-BILAYER MIXTURES; TRANS-PARINARIC ACID C1 [Heberle, Frederick A.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. [Petruzielo, Robin S.; Goh, Shih Lin; Konyakhina, Tatyana M.; Ackerman, David G.; Amazon, Jonathan J.; Feigenson, Gerald W.] Cornell Univ, Dept Mol Biol & Genet, Ithaca, NY USA. RP Heberle, FA (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. NR 131 TC 2 Z9 2 U1 5 U2 5 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4665-0711-1; 978-1-4665-0709-8 PY 2014 BP 143 EP 165 D2 10.1201/b16617 PG 23 WC Biophysics; Biotechnology & Applied Microbiology; Pharmacology & Pharmacy SC Biophysics; Biotechnology & Applied Microbiology; Pharmacology & Pharmacy GA BE5CF UT WOS:000372549800009 ER PT J AU Yang, H Kotula, PG Sato, Y Chi, MF Ikuhara, Y Browning, ND AF Yang, Hao Kotula, Paul G. Sato, Yukio Chi, Miaofang Ikuhara, Yuichi Browning, Nigel D. TI Segregation of Mn2+ Dopants as Interstitials in SrTiO3 Grain Boundaries SO MATERIALS RESEARCH LETTERS LA English DT Article DE Z-Contrast Imaging; Atomic EDS; Dopant Segregation; Grain Boundary AB Mn-doped SrTiO3 shows promising magnetic and electrical properties, but the doping mechanism remains unclear. In this research Mn4+ is found to substitute Ti in bulk SrTiO3, but Mn2+ segregates inside grain boundaries at both Sr and interstitial sites. Mn interstitial doping has never been reported, but is found possible with the formation of Sr vacancies. This finding is significantly different from the amphoteric doping of Mn2+ substituting Sr and Mn4+ substituting Ti sites, therefore leads to different understanding on the defect mediated electrical and magnetic properties of transition metal-doped perovskites. C1 [Yang, Hao; Browning, Nigel D.] Univ Calif Davis, Dept Chem Engn & Mat Sci, One Shields Ave, Davis, CA 95616 USA. [Kotula, Paul G.] Sandia Natl Labs, Mat Characterizat Dept, Albuquerque, NM 87185 USA. [Sato, Yukio; Ikuhara, Yuichi] Univ Tokyo, Inst Engn Innovat, Bunkyo Ku, Tokyo 1138656, Japan. [Chi, Miaofang] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Browning, Nigel D.] Pacific Northwest Natl Lab, Phys Sci Div, Richland, WA 99352 USA. RP Yang, H (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, One Shields Ave, Davis, CA 95616 USA. EM haoyang.tem@gmail.com FU US Department of Energy [DE-FG02-03ER46057]; Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan; DOE by Battelle [DE-AC05-76RL01830]; Department of Energy's Office of Biological and Environmental Research FX This work is supported by the US Department of Energy Grant No. DE-FG02-03ER46057. A part of the work was conducted in the ShaRE user facility at Oak Ridge National Laboratory, and in the Research Hub for Advanced NanoCharacterization, The University of Tokyo, supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. The research described in this paper is part of the Chemical Imaging Initiative at PNNL under Contract DE-AC05-76RL01830 operated for DOE by Battelle. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at PNNL. NR 24 TC 6 Z9 6 U1 3 U2 3 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2166-3831 J9 MATER RES LETT JI Mater. Res. Lett. PY 2014 VL 2 IS 1 BP 16 EP 22 DI 10.1080/21663831.2013.856815 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA V44SC UT WOS:000209767700003 ER PT J AU Tonks, MR Zhang, YF Bai, XM Millett, PC AF Tonks, Michael R. Zhang, Yongfeng Bai, Xianming Millett, Paul C. TI Demonstrating the Temperature Gradient Impact on Grain Growth in UO2 Using the Phase Field Method SO MATERIALS RESEARCH LETTERS LA English DT Article DE Grain Growth; Temperature Gradient; Phase Field Method; UO2 AB Grain boundaries (GBs) are driven to migrate up a temperature gradient. In this work, we use a phase field model to investigate the impact of temperature gradients on isotropic grain growth. GB motion in 2D UO2 polycrystals is predicted under increasing temperature gradients. We find that the temperature gradient does not significantly impact the average grain growth behavior because the curvature driving force is dominant. However, it does cause significant local migration of the individual grains. In addition, the temperature dependence of the GB mobility results in larger grains in the hot portion of the polycrystal. C1 [Tonks, Michael R.; Zhang, Yongfeng; Bai, Xianming] Idaho Natl Lab, Fuel Modeling & Simulat, POB 1625, Idaho Falls, ID 83415 USA. [Millett, Paul C.] Univ Arkansas, Dept Mech Engn, Fayetteville, AR 72701 USA. RP Tonks, MR (reprint author), Idaho Natl Lab, Fuel Modeling & Simulat, POB 1625, Idaho Falls, ID 83415 USA. EM michael.tonks@inl.gov RI Bai, Xianming/E-2376-2017 OI Bai, Xianming/0000-0002-4609-6576 FU Department of Energy Nuclear Energy Advanced Modeling and Simulation Program; US Department of Energy [DE-AC07-05ID14517] FX The authors would like to thank Cody Permann from Idaho National Laboratory for his assistance with the grain growth model. This work was funded by the Department of Energy Nuclear Energy Advanced Modeling and Simulation Program. This manuscript has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 with the US 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 nonexclusive, 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 26 TC 3 Z9 3 U1 2 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2166-3831 J9 MATER RES LETT JI Mater. Res. Lett. PY 2014 VL 2 IS 1 BP 23 EP 28 DI 10.1080/21663831.2013.849300 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA V44SC UT WOS:000209767700004 ER PT J AU Eapen, J Krishna, R Burchell, TD Murty, KL AF Eapen, J. Krishna, R. Burchell, T. D. Murty, K. L. TI Early Damage Mechanisms in Nuclear Grade Graphite under Irradiation SO MATERIALS RESEARCH LETTERS LA English DT Article DE Graphite; Irradiation; Topological Defects; Dislocations; Amorphization AB Using Raman and X-ray photoelectron spectroscopy, we delineate the bond and defect structures in nuclear block graphite (NBG-18) under neutron and ion irradiation. The strengthening of the defect (D) peak in the Raman spectra under irradiation is attributed to an increase in the topological, sp(2)-hybridized defects. Using transmission electron microscopy, we provide evidence for prismatic dislocations as well as a number of basal dislocations dissociating into Shockley partials. The non-vanishing D peak in the Raman spectra, together with a generous number of dislocations, even at low irradiation doses, indicates a dislocation-mediated amorphization process in graphite. C1 [Eapen, J.; Krishna, R.; Murty, K. L.] North Carolina State Univ, Dept Nucl Engn, Raleigh, NC 27695 USA. [Burchell, T. D.] Oak Ridge Natl Lab, Carbon Mat Technol Grp, Oak Ridge, TN 37831 USA. RP Eapen, J (reprint author), North Carolina State Univ, Dept Nucl Engn, Raleigh, NC 27695 USA. EM jacob.eapen@ncsu.edu RI Burchell, Tim/E-6566-2017 OI Burchell, Tim/0000-0003-1436-1192 FU DOE-NEUP program FX The authors gratefully acknowledge the support through DOE-NEUP program. NR 48 TC 2 Z9 2 U1 2 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2166-3831 J9 MATER RES LETT JI Mater. Res. Lett. PY 2014 VL 2 IS 1 BP 43 EP 50 DI 10.1080/21663831.2013.841782 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA V44SC UT WOS:000209767700007 ER PT J AU Sharon, JA Hattar, K Boyce, BL Brewer, LN AF Sharon, J. A. Hattar, K. Boyce, B. L. Brewer, L. N. TI Compressive Properties of < 110 > Cu Micro-Pillars after High-Dose Self-Ion Irradiation SO MATERIALS RESEARCH LETTERS LA English DT Article DE Micro-Pillar Compression; Copper; Radiation Damage; Mechanical Properties AB Single-crystal Cu micro-pillars were self-ion irradiated up to 190 displacements per atom, a level commensurate with damage expected after long exposure in a reactor environment. Compression experiments performed along the < 110 > to 10% strain were compared against un-irradiated Cu. Two specimen configurations were explored: large 10 mu m tall and small 4 mu m tall pillars. Compared to un-irradiated Cu, the small irradiated pillars exhibited a flow stress increase of more than 500 MPa and were able to attain peak stresses approaching 1 GPa. These results are discussed in the context of an end of range effect, a damage gradient effect, and size effects. C1 [Sharon, J. A.; Hattar, K.; Boyce, B. L.; Brewer, L. N.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Brewer, L. N.] Naval Postgrad Sch, 700 Dyer Rd, Monterey, CA 93943 USA. RP Hattar, K (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM khattar@sandia.gov FU Laboratory Directed Research and Development program; DOE Office of Basic Energy Sciences; Center for Integrated Nanotechnologies, an Office of Science User Facility by Los Alamos National Laboratory [DE-AC52-06NA25396]; Sandia National Laboratories [DE-AC04-94AL85000]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank M. Rye, G. Bryant, and B. Mckenzie for assistance with specimen fabrication and imaging as well as D. Buller and S. Van Deusen for assistance with the irradiation. LNB was funded by the Laboratory Directed Research and Development program, whereas BLB, JAS, and KH were supported primarily by the DOE Office of Basic Energy Sciences. Material charactzaiton was, in part, supproted by the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Los Alamos National Laboratory (Contract DE-AC52-06NA25396) and Sandia National Laboratories (Contract DE-AC04-94AL85000). Sandia is a multiprogram laboratory owned and operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 39 TC 6 Z9 6 U1 0 U2 0 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2166-3831 J9 MATER RES LETT JI Mater. Res. Lett. PY 2014 VL 2 IS 2 BP 57 EP 62 DI 10.1080/21663831.2013.859179 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA V44SD UT WOS:000209767800001 ER PT J AU Yu, Q Wang, J Jiang, YY McCabe, RJ Tome, CN AF Yu, Qin Wang, Jian Jiang, Yanyao McCabe, Rodney J. Tome, Carlos N. TI Co-zone {(1)over-bar012} Twin Interaction in Magnesium Single Crystal SO MATERIALS RESEARCH LETTERS LA English DT Article DE Twinning; De-twinning; Twin-Twin Junctions; Compression-Tension; Magnesium AB Using in situ optical microscopy, electron backscatter diffraction analysis, and atomistic simulations, we studied co-zone {(1) over bar 012} twin interaction in magnesium single crystal under compression-tension along the [10 (1) over bar0] direction. Two co-zone twins are activated and interact with each other, resulting in two types of tilt boundaries that have habit planes (0001) and (10 (1) over bar0) and prevent twinacross- twin transmission but facilitate the propagation of a basal slip band. Upon strain reversal, the unfavorable dissociation of dislocations in the formed tilt boundaries hinder de-twinning. C1 [Yu, Qin; Jiang, Yanyao] Univ Nevada, Dept Mech Engn, Reno, NV 89557 USA. [Yu, Qin; Wang, Jian; McCabe, Rodney J.; Tome, Carlos N.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Wang, J (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM wangj6@lanl.gov; yjiang@unr.edu RI Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X FU US Department of Energy, Office of Basic Energy Sciences [DE-SC0002144]; Office of Basic Energy Sciences under US DOE [06SCPE401, W-7405-ENG-36] FX Y.J. acknowledges support by the US Department of Energy, Office of Basic Energy Sciences under Grant No. DE-SC0002144. The other authors were fully supported by Office of Basic Energy Sciences, Project FWP 06SCPE401, under US DOE Contract No. W-7405-ENG-36. NR 30 TC 10 Z9 10 U1 4 U2 4 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2166-3831 J9 MATER RES LETT JI Mater. Res. Lett. PY 2014 VL 2 IS 2 BP 82 EP 88 DI 10.1080/21663831.2013.867291 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA V44SD UT WOS:000209767800005 ER PT J AU Xu, WZ Zhang, YF Cheng, GM Jian, WW Millett, PC Koch, CC Mathaudhu, SN Zhu, YT AF Xu, W. Z. Zhang, Y. F. Cheng, G. M. Jian, W. W. Millett, P. C. Koch, C. C. Mathaudhu, S. N. Zhu, Y. T. TI Dynamic Void Growth and Shrinkage in Mg under Electron Irradiation SO MATERIALS RESEARCH LETTERS LA English DT Article DE Void; Coalescence; Growth; Electron Irradiation; Magnesium AB We report in situ atomic-scale investigation of late-stage void evolution, including growth, coalescence and shrinkage, under electron irradiation. With increasing irradiation dose, the total volume of voids increased linearly, while the nucleation rate of new voids decreased slightly and the total number of voids decreased. Some voids continued to grow while others shrank to disappear, depending on the nature of their interactions with nearby self-interstitial loops. For the first time, surface diffusion of adatoms was observed to be largely responsible for the void coalescence and thickening. These findings provide fundamental understanding to help with the design and modeling of irradiation-resistant materials. C1 [Xu, W. Z.; Cheng, G. M.; Jian, W. W.; Koch, C. C.; Zhu, Y. T.] North Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [Zhang, Y. F.] Idaho Natl Lab, Fuels Modeling & Simulat, Idaho Falls, ID 83415 USA. [Millett, P. C.] Univ Arkansas, Dept Mech Engn, Fayetteville, AR 72701 USA. [Mathaudhu, S. N.] US Army, Res Off, Div Mat Sci, Res Triangle Pk, NC 27709 USA. RP Zhu, YT (reprint author), North Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. EM ytzhu@ncsu.edu RI Zhu, Yuntian/B-3021-2008; Xu, Weizong/G-3328-2014; OI Zhu, Yuntian/0000-0002-5961-7422; Xu, Weizong/0000-0003-0030-8606; Cheng, Guangming/0000-0001-5852-1341 FU Laboratory Directed Research and Development Program Office of the Idaho National Laboratory [00042959-00032]; U.S. Army Research Office [W911NF-12-1-0009]; State of North Carolina; National Science Foundation FX We acknowledge financial support from the Laboratory Directed Research and Development Program Office of the Idaho National Laboratory (00042959-00032), U.S. Army Research Office (W911NF-12-1-0009). The authors also acknowledge the use of the Analytical Instrumentation Facility (AIF) at North Carolina State University, which is supported by the State of North Carolina and the National Science Foundation. NR 54 TC 1 Z9 1 U1 2 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2166-3831 J9 MATER RES LETT JI Mater. Res. Lett. PY 2014 VL 2 IS 3 BP 176 EP 183 DI 10.1080/21663831.2014.904826 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA V44SE UT WOS:000209767900009 ER PT J AU Singh, SS Williams, JJ Lin, MF Xiao, X De Carlo, F Chawla, N AF Singh, S. S. Williams, J. J. Lin, M. F. Xiao, X. De Carlo, F. Chawla, N. TI In Situ Investigation of High Humidity Stress Corrosion Cracking of 7075 Aluminum Alloy by Three-Dimensional (3D) X-ray Synchrotron Tomography SO MATERIALS RESEARCH LETTERS LA English DT Article DE Stress Corrosion Cracking; X-ray Tomography; Moisture; Aluminum Alloys AB In situ X-ray synchrotron tomography was used to investigate the stress corrosion cracking behavior of under-aged Al-Zn-Mg-Cu alloy in moisture. The discontinuous surface cracks (crack jumps) mentioned in the literature are actually a single continuous and tortuous crack when observed in three dimension (3D). Contrary to 2D measurements made at the surface which suggest non-uniform crack growth rates, 3D measurements of the crack length led to a much more accurate measurement of crack growth rates. C1 [Singh, S. S.; Williams, J. J.; Lin, M. F.; Chawla, N.] Arizona State Univ, Mat Sci & Engn, Tempe, AZ 85287 USA. [Xiao, X.; De Carlo, F.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Chawla, N (reprint author), Arizona State Univ, Mat Sci & Engn, Tempe, AZ 85287 USA. EM nchawla@asu.edu OI Singh, Sudhanshu Shekhar/0000-0002-8681-6558 FU Office of Naval Research (ONR) [N00014-10-1-0350] FX The authors are grateful for the financial support from the Office of Naval Research (ONR) under Contract No. N00014-10-1-0350 (Dr A. K. Vasudevan, Program Manager). NR 21 TC 7 Z9 7 U1 4 U2 4 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2166-3831 J9 MATER RES LETT JI Mater. Res. Lett. PY 2014 VL 2 IS 4 BP 217 EP 220 DI 10.1080/21663831.2014.918907 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA V44SF UT WOS:000209768000006 ER PT J AU Cobb, J Vachhani, S Dickerson, RM Dickerson, PO Han, WZ Mara, NA Carpenter, JS Schneider, J AF Cobb, Josef Vachhani, Shraddha Dickerson, Robert M. Dickerson, Patricia O. Han, Weizhong Mara, Nathan A. Carpenter, John S. Schneider, Judy TI Layer Stability and Material Properties of Friction-StirWelded Cu-Nb Nanolamellar Composite Plates SO MATERIALS RESEARCH LETTERS LA English DT Article DE Nanograin; Nanolayers; Friction-Stir Welding; Copper Niobium AB Initial efforts to friction-stir weld (FSW) Cu-Nb nanolamellar composite plates fabricated via accumulative roll bonding are reported in this study. Parent material layers within the composite were nominally 300 nm and exhibited a hardness of 2.5 GPa. After FSW, two types of microstructures were present: a refined layered structure, and an equiaxed nanocrystalline microstructure with grain diameters on the order of 7 nm. The type of microstructure was dependent on location within the FSW nugget and related to varying amounts of strain. Material hardness increased with refinement, with the equiaxed microstructure reaching a maximum hardness of 6.0 GPa. C1 [Cobb, Josef; Schneider, Judy] Mississippi State Univ, Dept Mech Engn, Starkville, MI 39762 USA. [Vachhani, Shraddha] Georgia Inst Technol, Dept Mech Engn, Atlanta, GA 30332 USA. [Dickerson, Robert M.; Dickerson, Patricia O.; Mara, Nathan A.; Carpenter, John S.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Han, Weizhong] Xi An Jiao Tong Univ, Ctr Adv Mat Performance Nanoscale, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China. [Han, Weizhong; Mara, Nathan A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Cobb, J (reprint author), Mississippi State Univ, Dept Mech Engn, Starkville, MI 39762 USA. EM jbc251@msstate.edu RI Han, Weizhong/C-9963-2011 FU Los Alamos National Laboratory Directed Research and Development (LDRD) [20130764ECR]; National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396] FX This work is supported by the Los Alamos National Laboratory Directed Research and Development (LDRD) project 20130764ECR. 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 US Department of Energy under contract DE-AC52-06NA25396. Electron microscopy was performed at the Los Alamos Electron Microscopy Laboratory. NR 33 TC 1 Z9 1 U1 0 U2 0 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2166-3831 J9 MATER RES LETT JI Mater. Res. Lett. PY 2014 VL 2 IS 4 BP 227 EP 232 DI 10.1080/21663831.2014.918567 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA V44SF UT WOS:000209768000008 ER PT S AU Liu, P AF Liu, Ping BE Tao, F TI Theoretical Insights into Metal Nanocatalysts SO METAL NANOPARTICLES FOR CATALYSIS: ADVANCES AND APPLICATIONS SE RSC Catalysis Series LA English DT Article; Book Chapter ID GAS-SHIFT REACTION; OXYGEN REDUCTION REACTION; PLATINUM-MONOLAYER ELECTROCATALYSTS; PALLADIUM ALLOY ELECTROCATALYSTS; TOTAL-ENERGY CALCULATIONS; AU-C INTERACTIONS; WAVE BASIS-SET; SUPPORT INTERACTIONS; CHARGE POLARIZATION; GOLD NANOPARTICLES C1 [Liu, Ping] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Liu, P (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM pingliu3@bnl.gov NR 67 TC 0 Z9 0 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 1757-6725 BN 978-1-78262-103-4; 978-1-78262-033-4 J9 RSC CATAL SER PY 2014 VL 17 BP 219 EP 234 D2 10.1039/9781782621034 PG 16 WC Chemistry, Physical; Nanoscience & Nanotechnology SC Chemistry; Science & Technology - Other Topics GA BG1UJ UT WOS:000387104700012 ER PT B AU Probst, AJ Lum, PY John, B Dubinsky, EA Piceno, YM Tom, LM Andersen, GL He, ZL DeSantis, TZ AF Probst, Alexander J. Lum, Pek Yee John, Bettina Dubinsky, Eric A. Piceno, Yvette M. Tom, Lauren M. Andersen, Gary L. He, Zhili DeSantis, Todd Z. BE He, Z TI Microarray of 16S rRNA Gene Probes for Quantifying Population Differences Across Microbiome Samples SO MICROARRAYS: CURRENT TECHNOLOGY, INNOVATIONS AND APPLICATIONS LA English DT Article; Book Chapter ID DEEP-WATER-HORIZON; WESTERN ENGLISH-CHANNEL; ELEVATED CARBON-DIOXIDE; GULF-OF-MEXICO; OIL-SPILL; RARE BIOSPHERE; DEGRADING BACTERIA; ANALYSIS REVEALS; DARK-MATTER; DIVERSITY AB Deciphering microbial communities and their role in Earth's biosphere is crucial for addressing challenges in human health, agriculture, bioremediation and other natural processes. While next-generation sequencing platforms are still under development to improve accuracy, read length and sequencing depth, microarray-based methods have become an attractive alternative for 16S rRNA gene microbial community comparisons. The hybridization method is well-established in the laboratory. Thus, main areas of improvement lie with the development of enhanced bioinformatics and statistical procedures for microarray data, rather than with improvements to the platform itself. In this communication we applied recently-developed bioinformatics tools to re-analyse G3 PhyloChip (TM) DNA microarray data acquired from deep ocean samples collected during the 2010 Deepwater Horizon oil spill in the Gulf of Mexico. We show that data collected with the G3 PhyloChip assay can be analysed at various stages of resolution, from individual probes to pairs of probes to quartets of probes and finally at the commonly used probe-set level where each probe-set is associated with one operational taxonomic unit (OTU). Our analysis methods comprised topological data analysis (TDA) to facilitate the detection of outlier bio-specimens and the reconstruction of empirical OTUs (eOTUs) in an unsupervised manner, without the need for pre-defined reference OTUs (rOTUs). We observed that the quartet level provided sufficient resolution for identifying a subtle outlier sample with TDA, while the eOTU reconstruction was useful for annotation of the taxa associated with significant population changes in the elevated hydrocarbon waters. The presented methods will improve the deduction of important biological processes from G3 PhyloChip experiments. C1 [Probst, Alexander J.; John, Bettina; DeSantis, Todd Z.] Second Genome Inc, San Francisco, CA 94080 USA. [Lum, Pek Yee] Ayasdi Inc, Palo Alto, CA USA. [Dubinsky, Eric A.; Piceno, Yvette M.; Tom, Lauren M.; Andersen, Gary L.] Lawrence Berkeley Natl Lab, Dept Ecol, Div Earth Sci, Berkeley, CA USA. [He, Zhili] Univ Oklahoma, Dept Microbiol & Plant Biol, Inst Environm Genom, Norman, OK 73019 USA. RP Probst, AJ (reprint author), Second Genome Inc, San Francisco, CA 94080 USA. EM alex@secondgenome.com; pek@ayasdi.com; bettina@secondgenome.com; eadubinsky@lbl.gov; ympiceno@lbl.gov; ltom@lbl.gov; glandersen@lbl.gov; zhili.he@ou.edu; todd@secondgenome.com RI Dubinsky, Eric/D-3787-2015 OI Dubinsky, Eric/0000-0002-9420-6661 NR 101 TC 5 Z9 5 U1 0 U2 0 PU CAISTER ACADEMIC PRESS PI WYMONDHAM PA 32 HEWITTS LANE, WYMONDHAM NR 18 0JA, ENGLAND BN 978-1-908230-59-1; 978-1-908230-49-2 PY 2014 BP 99 EP 119 PG 21 WC Microbiology SC Microbiology GA BF9AP UT WOS:000385397400006 ER PT B AU McLoughlin, K Jaing, C Gardner, S Be, NA Thissen, JB Slezak, T AF McLoughlin, Kevin Jaing, Crystal Gardner, Shea Be, Nicholas A. Thissen, James B. Slezak, Tom BE He, Z TI Broad-spectrum Viral and Bacterial Pathogen Detection by Microarrays SO MICROARRAYS: CURRENT TECHNOLOGY, INNOVATIONS AND APPLICATIONS LA English DT Article; Book Chapter ID DNA MICROARRAY; IDENTIFICATION; ARRAY; MICROBIOTA; PATTERNS; VIRUS AB Broad-spectrum viral and bacterial pathogen detection microarrays have proven useful to analyse pathogenic organisms in clinical and environmental samples. The microbial detection arrays are less costly and faster than next generation sequencing, and more comprehensive than single-plex and multiplex PCR assays. Pathogen detection arrays have been used for detection and genotyping of viral and bacterial pathogens for biodefence, public health, and food and drug safety. These arrays have also contributed to the discovery of novel viruses. Pathogen microarrays are cost-effective, rapid genomic assays that are expected to gain a wider use both in research settings and in the regulatory and diagnostic environment. C1 [McLoughlin, Kevin; Gardner, Shea; Slezak, Tom] Lawrence Livermore Natl Lab, Computat Directorate, Livermore, CA 94550 USA. [Jaing, Crystal; Be, Nicholas A.; Thissen, James B.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. RP McLoughlin, K (reprint author), Lawrence Livermore Natl Lab, Computat Directorate, Livermore, CA 94550 USA. EM mcloughlin2@llnl.gov; jaing2@llnl.gov; gardner26@llnl.gov; be1@llnl.gov; thissen3@llnl.gov; slezak@llnl.gov NR 25 TC 0 Z9 0 U1 0 U2 0 PU CAISTER ACADEMIC PRESS PI WYMONDHAM PA 32 HEWITTS LANE, WYMONDHAM NR 18 0JA, ENGLAND BN 978-1-908230-59-1; 978-1-908230-49-2 PY 2014 BP 229 EP 237 PG 9 WC Microbiology SC Microbiology GA BF9AP UT WOS:000385397400014 ER PT J AU Karthik, R Patlolla, DR Sorokine, A White, DA Myers, AT AF Karthik, Rajasekar Patlolla, Dilip R. Sorokine, Alexandre White, Devin A. Myers, Aaron T. GP ACM TI Building a Secure and Feature-rich Mobile Mapping Service App Using HTML5: Challenges and Best Practices SO MOBIWAC'14: PROCEEDINGS OF THE 12TH ACM INTERNATIONAL SYMPOSIUM ON MOBILITY MANAGEMENT AND WIRELESS ACCESS LA English DT Proceedings Paper CT 12th ACM International Symposium on Mobility Management and Wireless Access (MobiWac) CY SEP 21-26, 2014 CL Montreal, CANADA SP ACM, ACM SIGSIM DE Mobile Apps; Mapping; HTML5; GPU; Graphics; API AB Managing a wide variety of mobile devices across multiple mobile operating systems is a security challenge for any organization [1, 2]. With the wide adoption of mobile devices to access work-related apps, there is an increase in third-party apps that might either misuse or improperly handle user's personal or sensitive data [3]. HTML5 has been receiving wide attention for developing cross-platform mobile apps. According to International Data Corporation (IDC), by 2015, 80% of all mobile apps will be based in part or wholly upon HTML5 [4]. Though HTML5 provides a rich set of features for building an app, it is a challenge for organizations to deploy and manage HTML5 apps on wide variety of devices while keeping security policies intact. In this paper, we will describe an upcoming secure mobile environment for HTML5 apps, called Sencha Space that addresses these issues and discuss how it will be used to design and build a secure and cross-platform mobile mapping service app. We will also describe how HTML5 and a new set of related technologies such as Geolocation API, WebGL, Open Layers 3, and Local Storage, can be used to provide a high end and high performance experience for users of the mapping service app. C1 [Karthik, Rajasekar; Patlolla, Dilip R.; Sorokine, Alexandre; White, Devin A.; Myers, Aaron T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Karthik, R (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM karthikr@ornl.gov; patlolladr@ornl.gov; sorokina@ornl.gov; whiteda1@ornl.gov; myersat@ornl.gov NR 8 TC 1 Z9 1 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-3026-8 PY 2014 BP 115 EP 118 DI 10.1145/2642668.2642685 PG 4 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BF5NF UT WOS:000382303000017 ER PT J AU Jiang, LJ Moulton, JD Wei, J AF Jiang, Lijian Moulton, J. David Wei, Jia TI A HYBRID HDMR FOR MIXED MULTISCALE FINITE ELEMENT METHODS WITH APPLICATION TO FLOWS IN RANDOM POROUS MEDIA SO MULTISCALE MODELING & SIMULATION LA English DT Article DE hybrid high-dimensional model representation; sparse-grid collocation method; mixed multiscale finite element method; approximate global information ID PARTIAL-DIFFERENTIAL-EQUATIONS; STOCHASTIC COLLOCATION METHOD; RANDOM INPUT DATA; ELLIPTIC PROBLEMS; MODEL REPRESENTATIONS; SPARSE GRIDS; UNCERTAINTIES; FORMULATION; SIMULATION; FRAMEWORK AB Stochastic modeling has become a popular approach to quantifying uncertainty in flows through heterogeneous porous media. In this approach the uncertainty in the heterogeneous structure of material properties is often parametrized by a high-dimensional random variable, leading to a family of deterministic models. The numerical treatment of this stochastic model becomes very challenging as the dimension of the parameter space increases. To efficiently tackle the high-dimensionality, we propose a hybrid high-dimensional model representation (HDMR) technique, through which the high-dimensional stochastic model is decomposed into a moderate-dimensional stochastic model, in the most active random subspace, and a few one-dimensional stochastic models. The derived low-dimensional stochastic models are solved by incorporating the sparse-grid stochastic collocation method with the proposed hybrid HDMR. In addition, the properties of porous media, such as permeability, often display heterogeneous structure across multiple spatial scales. To treat this heterogeneity we use a mixed multiscale finite element method (MMsFEM). To capture the nonlocal spatial features (i.e., channelized structures) of the porous media and the important effects of random variables, we can hierarchically incorporate the global information individually from each of the random parameters. This significantly enhances the accuracy of the multiscale simulation. Thus, the synergy of the hybrid HDMR and the MMsFEM reduces the dimension of the flow model in both the stochastic and physical spaces, and hence significantly decreases the computational complexity. We analyze the proposed hybrid HDMR technique and the derived stochastic MMsFEM. Numerical experiments are carried out for two-phase flows in random porous media to demonstrate the efficiency and accuracy of the proposed hybrid HDMR with MMsFEM. C1 [Jiang, Lijian] Hunan Univ, Coll Math & Econometr, Changsha 410082, Hunan, Peoples R China. [Moulton, J. David] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Wei, Jia] CGGVeritas, Houston, TX 77072 USA. RP Jiang, LJ (reprint author), Hunan Univ, Coll Math & Econometr, Changsha 410082, Hunan, Peoples R China. EM ljjiang@hnu.edu.cn; moulton@lanl.gov; weijialily@gmail.com FU Chinese funds [733203001, 531106003009]; Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; DOE Office of Science Advanced Computing Research (ASCR) program in Applied Mathematical Sciences FX This author acknowledges the partial support by the Chinese funds with grant 733203001 and grant 531106003009.; This author acknowledges funding by the Department of Energy at Los Alamos National Laboratory under contracts DE-AC52-06NA25396 and the DOE Office of Science Advanced Computing Research (ASCR) program in Applied Mathematical Sciences. NR 48 TC 1 Z9 1 U1 0 U2 0 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1540-3459 EI 1540-3467 J9 MULTISCALE MODEL SIM JI Multiscale Model. Simul. PY 2014 VL 12 IS 1 BP 119 EP 151 DI 10.1137/120900460 PG 33 WC Mathematics, Interdisciplinary Applications; Physics, Mathematical SC Mathematics; Physics GA AE2ML UT WOS:000333807100005 ER PT S AU Carreras, BA Newman, DE Dobson, I Lynch, VE Gradney, P AF Carreras, B. A. Newman, D. E. Dobson, I. Lynch, V. E. Gradney, Paul BE DAgostino, G Scala, A TI Thresholds and Complex Dynamics of Interdependent Cascading Infrastructure Systems SO NETWORKS OF NETWORKS: THE LAST FRONTIER OF COMPLEXITY SE Understanding Complex Systems Springer Complexity LA English DT Article; Book Chapter ID FOREST-FIRE MODEL AB Critical infrastructures have a number of the characteristic properties of complex systems. Among these are infrequent large failures through cascading events. These events, though infrequent, often obey a power law distribution in their probability versus size which suggests that conventional risk analysis does not apply to these systems. Real infrastructure systems typically have an additional layer of complexity, namely the heterogeneous coupling to other infrastructure systems that can allow a failure in one system to propagate to the other system. Here, we model the infrastructure systems through a network with complex system dynamics. We use both mean field theory to get analytic results and a numerical complex systems model, Demon, for computational results. An isolated system has bifurcated fixed points and a cascading threshold which is the same as the bifurcation point. When systems are coupled, this is no longer true and the cascading threshold is different from the bifurcation point of the fixed point solutions. This change in the cascading threshold caused by the interdependence of the system can have an impact on the "safe operation" of interdependent infrastructure systems by changing the critical point and even the power law exponent. C1 [Carreras, B. A.] BACV Solut Inc, Oak Ridge, TN 37830 USA. [Newman, D. E.; Gradney, Paul] Univ Alaska, Dept Phys, Fairbanks, AK 99775 USA. [Dobson, I.] Iowa State Univ, ECE Dept, Ames, IA 50011 USA. [Lynch, V. E.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Newman, DE (reprint author), Univ Alaska, Dept Phys, Fairbanks, AK 99775 USA. EM denewman@alaska.edu NR 22 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1860-0832 BN 978-3-319-03518-5; 978-3-319-03517-8 J9 UNDERST COMPLEX SYST PY 2014 BP 95 EP 114 DI 10.1007/978-3-319-03518-5_5 D2 10.1007/978-3-319-03518-5 PG 20 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA BG0PK UT WOS:000386457300007 ER PT J AU Cheng, WX Parton, WJ Gonzalez-Meler, MA Phillips, R Asao, S McNickle, GG Brzostek, E Jastrow, JD AF Cheng, Weixin Parton, William J. Gonzalez-Meler, Miquel A. Phillips, Richard Asao, Shinichi McNickle, Gordon G. Brzostek, Edward Jastrow, Julie D. TI Synthesis and modeling perspectives of rhizosphere priming SO NEW PHYTOLOGIST LA English DT Review DE decomposition; elevated CO2; PhotoCent model; plant-microbe interactions; roots; soil organic matter (SOM) ID SOIL ORGANIC-MATTER; ATMOSPHERIC CARBON-DIOXIDE; AIR CO2 ENRICHMENT; WARM-TEMPERATE FOREST; LOBLOLLY-PINE FOREST; BELOW-GROUND BIOMASS; ELEVATED CO2; ROOT EXUDATION; MICROBIAL COMMUNITY; PHOTOSYNTHESIS CONTROLS AB The rhizosphere priming effect (RPE) is a mechanism by which plants interact with soil functions. The large impact of the RPE on soil organic matter decomposition rates (from 50% reduction to 380% increase) warrants similar attention to that being paid to climatic controls on ecosystem functions. Furthermore, global increases in atmospheric CO2 concentration and surface temperature can significantly alter the RPE. Our analysis using a game theoretic model suggests that the RPE may have resulted from an evolutionarily stable mutualistic association between plants and rhizosphere microbes. Through model simulations based on microbial physiology, we demonstrate that a shift in microbial metabolic response to different substrate inputs from plants is a plausible mechanism leading to positive or negative RPEs. In a case study of the Duke Free-Air CO2 Enrichment experiment, performance of the PhotoCent model was significantly improved by including an RPE-induced 40% increase in soil organic matter decomposition rate for the elevated CO2 treatment - demonstrating the value of incorporating the RPE into future ecosystem models. Overall, the RPE is emerging as a crucial mechanism in terrestrial ecosystems, which awaits substantial research and model development. C1 [Cheng, Weixin] Univ Calif Santa Cruz, Dept Environm Studies, Santa Cruz, CA 95064 USA. [Cheng, Weixin] Chinese Acad Sci, State Key Lab Forest & Soil Ecol, Inst Appl Ecol, Shenyang 110016, Peoples R China. [Parton, William J.; Asao, Shinichi] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Gonzalez-Meler, Miquel A.; McNickle, Gordon G.] Univ Illinois, Dept Biol Sci, Chicago, IL 60607 USA. [Phillips, Richard; Brzostek, Edward] Indiana Univ, Dept Biol, Bloomington, IN 47405 USA. [Jastrow, Julie D.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Cheng, WX (reprint author), Univ Calif Santa Cruz, Dept Environm Studies, Santa Cruz, CA 95064 USA. EM wxcheng@ucsc.edu RI Cheng, Weixin/F-4968-2011; Brzostek, Edward/J-3769-2013; Asao, Shinichi/R-9514-2016; McNickle, Gordon/F-3699-2017; OI Cheng, Weixin/0000-0003-2964-2376; Asao, Shinichi/0000-0002-0334-5464; McNickle, Gordon/0000-0002-7188-7265; Gonzalez-Meler, Miquel/0000-0001-5388-7969 FU US Department of Energy (DOE) Office of Science, Office of Biological and Environmental Research (BER); National Research Initiative of the USDA Cooperative State Research, Education and Extension Service [2006-35107-17225]; DOE's Office of Science through the Midwestern Regional Center of the National Institute for Climatic Change Research at Michigan Technological University [DE-FC02-06ER64158]; US Department of Energy; DOE [ER65188, DE-SC0005325]; US National Science Foundation [0919276]; NSF [1153401]; Natural Sciences and Engineering Research Council of Canada; DOE, BER, Climate and Environmental Sciences Division [DE-AC02-06CH11357] FX We thank the US Department of Energy (DOE) Office of Science, Office of Biological and Environmental Research (BER) for funding the workshop "Scaling Root Processes: Global Impacts,' during which the topics of this paper were developed. W.C. was supported by a grant from the National Research Initiative of the USDA Cooperative State Research, Education and Extension Service (#2006-35107-17225), and by a grant from the DOE's Office of Science through the Midwestern Regional Center of the National Institute for Climatic Change Research at Michigan Technological University (#DE-FC02-06ER64158). W.J.P. and S.A. were supported by US Department of Energy under Model-Data Synthesis of Terrestrial Response to Elevated CO2 grant to Oak Ridge National Laboratory. M.A.G-M. was supported by grants from the DOE (ER65188) and the US National Science Foundation (NSF, DEB, Ecosystem Studies #0919276). R.P. and E.B. were supported by funding from the NSF (DEB, Ecosystem Studies; #1153401) and the DOE (TES; DE-SC0005325). R.P. also thanks W. Weider, S. Frey, S. Grandy and C. Cleveland for productive discussion about microbial physiology and priming. G.G.M. thanks Joel S. Brown for helpful discussions about the ESS model, and the Natural Sciences and Engineering Research Council of Canada for Post-Doctoral Fellowship. J.D.J. was supported by the DOE, BER, Climate and Environmental Sciences Division under contract DE-AC02-06CH11357 to Argonne National Laboratory. NR 136 TC 64 Z9 72 U1 22 U2 312 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1469-8137 J9 NEW PHYTOL JI New Phytol. PD JAN PY 2014 VL 201 IS 1 BP 31 EP 44 DI 10.1111/nph.12440 PG 14 WC Plant Sciences SC Plant Sciences GA 256XZ UT WOS:000327348800006 PM 23952258 ER PT B AU Li, ST Li, H AF Li, Shengtai Li, Hui BE Pogorelov, NV Audit, E Zank, GP TI Numerical Treatment of Dust Diffusion in Dusty Proto-Planetary Disks SO NUMERICAL MODELING OF SPACE PLASMA FLOWS: ASTRONUM-2013 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 8th International Conference on Numerical Modeling of Space Plasma Flows: ASTRONUM-2013 CY JUL 01-05, 2013 CL Biarritz, FRANCE SP Univ Alabama Huntsville, Ctr Space Plasma & Aeronom Res, Maison Simulat ID ROSSBY-WAVE INSTABILITY; THIN ACCRETION DISKS; GAS DISKS; EVOLUTION; FLOW AB We have developed a numerical package for simulations of dusty proto-planetary disks. We solve the fully coupled gas and dust dynamic equations. We also explicitly include the turbulent viscosity in gas dynamics and turbulent diffusion in dust dynamics. We propose a new modified momentum equation for the dust dynamics by removing some anti-diffusion terms. This new modification avoids the potential instability caused by the diffusion term in the dust transport equations. Numerical results demonstrate our proposed modification is effective. 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, Los Alamos, NM 87545 USA. NR 18 TC 0 Z9 0 U1 1 U2 1 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-860-2 J9 ASTR SOC P PY 2014 VL 488 BP 96 EP 101 PG 6 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BE7YY UT WOS:000376047800014 ER PT B AU Mezzacappa, A Bruenn, SW Lentz, EJ Hix, WR Messer, OEB Harris, JA Lingerfelt, EJ Endeve, E Yakunin, KN Blondin, JM Marronette, P AF Mezzacappa, Anthony Bruenn, Stephen W. Lentz, Eric J. Hix, W. Raphael Messer, O. E. Bronson Harris, J. Austin Lingerfelt, Eric J. Endeve, Eirik Yakunin, Konstantin N. Blondin, John M. Marronette, Pedro BE Pogorelov, NV Audit, E Zank, GP TI Two- and Three-Dimensional Multi-Physics Simulations of Core Collapse Supernovae: A Brief Status Report and Summary of Results from the "Oak Ridge" Group SO NUMERICAL MODELING OF SPACE PLASMA FLOWS: ASTRONUM-2013 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 8th International Conference on Numerical Modeling of Space Plasma Flows: ASTRONUM-2013 CY JUL 01-05, 2013 CL Biarritz, FRANCE SP Univ Alabama Huntsville, Ctr Space Plasma & Aeronom Res, Maison Simulat ID SPECTRAL NEUTRINO TRANSPORT; CIRCLE-DOT STAR; GENERAL-RELATIVISTIC SIMULATIONS; ACCRETION-SHOCK; NUCLEAR-MATTER; SASI ACTIVITY; 3 DIMENSIONS; EXPLOSIONS; MECHANISM; HYDRODYNAMICS AB We summarize the results of core collapse supernova theory from one-, two-, and three-dimensional models and provide a snapshot of the field at this time. We also present results from the "Oak Ridge" group in this context. Studies in both one and two spatial dimensions define the necessary physics that must be included in core collapse supernova models: a general relativistic treatment of gravity (at least an approximate one), spectral neutrino transport, including relativistic effects such as gravitational redshift, and a complete set of neutrino weak interactions that includes state-of-the-art electron capture on nuclei and energy-exchanging scattering on electrons and nucleons. Whether or not the necessarily approximate treatment of this physics in current models that include it is sufficient remains to be determined in the context of future models that remove the approximations. We summarize the results of the Oak Ridge group's two-dimensional supernova models. In particular, we demonstrate that robust neutrino-driven explosions can be obtained. We also demonstrate that our predictions of the explosion energies and remnant neutron star masses are in agreement with observations, although a much larger number of models must be developed before more confident conclusions can be made. We provide preliminary results from our ongoing three-dimensional model with the same physics. Finally, we speculate on future outcomes and directions. C1 [Mezzacappa, Anthony; Lentz, Eric J.; Hix, W. Raphael; Harris, J. Austin; Endeve, Eirik] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Mezzacappa, Anthony; Lentz, Eric J.; Yakunin, Konstantin N.] Oak Ridge Natl Lab, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. [Bruenn, Stephen W.] Florida Atlantic Univ, Dept Phys, Boca Raton, FL 33431 USA. [Lentz, Eric J.; Hix, W. Raphael; Messer, O. E. Bronson] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Messer, O. E. Bronson] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. [Lingerfelt, Eric J.; Endeve, Eirik] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Blondin, John M.] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [Marronette, Pedro] Natl Sci Fdn, Div Phys, Arlington, VA 22230 USA. RP Mezzacappa, A (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RI Messer, Bronson/G-1848-2012; Mezzacappa, Anthony/B-3163-2017 OI Messer, Bronson/0000-0002-5358-5415; Mezzacappa, Anthony/0000-0001-9816-9741 NR 64 TC 10 Z9 10 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-860-2 J9 ASTR SOC P PY 2014 VL 488 BP 102 EP 113 PG 12 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BE7YY UT WOS:000376047800015 ER PT B AU Kotov, DV Yee, HC Sjogreen, B AF Kotov, D. V. Yee, H. C. Sjogreen, B. BE Pogorelov, NV Audit, E Zank, GP TI Performance of Improved High-order Filter Schemes for Turbulent Flows with Shocks SO NUMERICAL MODELING OF SPACE PLASMA FLOWS: ASTRONUM-2013 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 8th International Conference on Numerical Modeling of Space Plasma Flows: ASTRONUM-2013 CY JUL 01-05, 2013 CL Biarritz, FRANCE SP Univ Alabama Huntsville, Ctr Space Plasma & Aeronom Res, Maison Simulat AB We demonstrate the performance of the improved filter schemes of Yee & Sjogreen (2009) on a set of test cases involving different flow types. The idea behind the scheme improvement is to obtain high accuracy of the results and at the same time to avoid additional tuning of the scheme parameters depending on flow conditions. We show that using a local treatment of the dissipation control parameter kappa one can obtain more accurate results than in case of using constant or global parameter with no additinal tuning implied. C1 [Kotov, D. V.] Stanford Univ, Ctr Turbulence Res, Stanford, CA 94305 USA. [Yee, H. C.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Sjogreen, B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Kotov, DV (reprint author), Stanford Univ, Ctr Turbulence Res, Stanford, CA 94305 USA. NR 8 TC 0 Z9 0 U1 1 U2 1 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-860-2 J9 ASTR SOC P PY 2014 VL 488 BP 237 EP 242 PG 6 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BE7YY UT WOS:000376047800033 ER PT S AU Stewart, FF AF Stewart, Frederick F. BE Allen, DW Tebby, JC Loakes, D TI Phosphazenes SO ORGANOPHOSPHORUS CHEMISTRY, VOL 43 SE SPR-Organophosphorus Chemistry LA English DT Article; Book Chapter ID SUBSTITUENT EXCHANGE-REACTIONS; FIRE RESISTANCE SYNTHESIS; CYCLOTRIPHOSPHAZENE CORE; EPOXY-RESIN; FLAMMABILITY CHARACTERISTICS; BIOMEDICAL APPLICATIONS; BIOLOGICAL-ACTIVITIES; THERMAL-STABILITY; CARBON NANOTUBES; FLAME RETARDANCY C1 [Stewart, Frederick F.] Idaho Natl Lab, Biol & Chem Proc Dept, POB 1625, Idaho Falls, ID 83415 USA. RP Stewart, FF (reprint author), Idaho Natl Lab, Biol & Chem Proc Dept, POB 1625, Idaho Falls, ID 83415 USA. EM Frederick.Stewart@inl.gov NR 95 TC 1 Z9 1 U1 0 U2 0 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 0306-0713 BN 978-1-78262-397-7; 978-1-84973-942-9 J9 SPR-ORGANOPHOS CHEM PY 2014 VL 43 BP 366 EP 412 DI 10.1039/9781782623977-00366 D2 10.1039/978-1-78262-397-7 PG 47 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA BG2IP UT WOS:000387401400009 ER PT J AU Lindblom, SD Fakra, SC Landon, J Schulz, P Tracy, B Pilon-Smits, EAH AF Lindblom, Stormy Dawn Fakra, Sirine C. Landon, Jessica Schulz, Paige Tracy, Ben Pilon-Smits, Elizabeth A. H. TI Inoculation of selenium hyperaccumulator Stanleya pinnata and related non-accumulator Stanleya elata with hyperaccumulator rhizosphere fungi - investigation of effects on Se accumulation and speciation SO PHYSIOLOGIA PLANTARUM LA English DT Article ID MOUNTAIN FRONT RANGE; ASTRAGALUS-BISULCATUS; INDIAN MUSTARD; PLANTS; TOLERANCE; VOLATILIZATION; STRESS; GROWTH AB Little is known about how fungi affect elemental accumulation in hyperaccumulators (HAs). Here, two rhizosphere fungi from selenium (Se) HAStanleya pinnata, Alternaria seleniiphila (A1) and Aspergillus leporis (AS117), were used to inoculate S. pinnata and related non-HAStanleya elata. Growth and Se and sulfur (S) accumulation were analyzed. Furthermore, X-ray microprobe analysis was used to investigate elemental distribution and speciation. Growth of S. pinnata was not affected by inoculation or by Se. Stanleya elata growth was negatively affected by AS117 and by Se, but combination of both did not reduce growth. Selenium translocation was reduced in inoculated S. pinnata, and inoculation reduced S translocation in both species. Root Se distribution and speciation were not affected by inoculation in either species; both species accumulated mainly (90%) organic Se. Sulfur, in contrast, was present equally in organic and inorganic forms in S. pinnata roots. Thus, these rhizosphere fungi can affect growth and Se and/or S accumulation, depending on host species. They generally enhanced root accumulation and reduced translocation. These effects cannot be attributed to altered plant Se speciation but may involve altered rhizosphere speciation, as these fungi are known to produce elemental Se. Reduced Se translocation may be useful in applications where toxicity to herbivores and movement of Se into the food chain is a concern. The finding that fungal inoculation can enhance root Se accumulation may be useful in Se biofortification or phytoremediation using root crop species. C1 [Lindblom, Stormy Dawn; Landon, Jessica; Schulz, Paige; Tracy, Ben; Pilon-Smits, Elizabeth A. H.] Colorado State Univ, Dept Biol, Ft Collins, CO 80523 USA. [Fakra, Sirine C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Pilon-Smits, EAH (reprint author), Colorado State Univ, Dept Biol, Ft Collins, CO 80523 USA. EM epsmits@lamar.colostate.edu FU National Science Foundation [IOS-0817748]; Office of Science, Basic Energy Sciences and Division of Materials Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Ami Wangeline for providing the two fungal isolates and Jennifer Cappa for collecting and providing Stanleya elata seeds. We also thank Jose Rodolfo Valdez Barillas for helping with fungal cultivation and preparation. Funding for these studies was provided by National Science Foundation grant # IOS-0817748 to E. A. H. P.-S. The Advanced Light Source is supported by the Office of Science, Basic Energy Sciences and Division of Materials Science of the U.S. Department of Energy (DE-AC02-05CH11231). NR 30 TC 3 Z9 3 U1 3 U2 36 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0031-9317 EI 1399-3054 J9 PHYSIOL PLANTARUM JI Physiol. Plant. PD JAN PY 2014 VL 150 IS 1 BP 107 EP 118 DI 10.1111/ppl.12094 PG 12 WC Plant Sciences SC Plant Sciences GA 270BZ UT WOS:000328294700010 PM 24032473 ER PT S AU Zhu, X Do-Thanh, CL Dai, S AF Zhu, Xiang Chi-Linh Do-Thanh Dai, Sheng BE Lu, AH Dai, S TI Ionic Liquid-Derived Carbonaceous Adsorbents for CO2 Capture SO POROUS MATERIALS FOR CARBON DIOXIDE CAPTURE SE Green Chemistry and Sustainable Technology LA English DT Article; Book Chapter ID POROUS POLYMER NETWORKS; DIOXIDE CAPTURE; DOPED CARBONS; LOW-PRESSURE; FLUE-GAS; SEPARATION; PRECURSORS; ADSORPTION; MEMBRANES; SORBENTS AB Removal of CO2 from major emission sources, such as power plants and industrial facilities for environmental remediation has attracted significant interest. Among currently accessible CO2 capture technologies, the use of porous solids is considered to be one of the most promising approaches. The use of ionic liquids (ILs) composed of an organic cation and an inorganic anion as precursors for the synthesis of carbonaceous materials has been an emerging field. Porous carbons with a high specific surface area can be facilely made by directly annealing ILs or using appropriate porous templates. By choosing different ILs, materials with various heteroatoms doping and good pore properties can be produced. The attractive features of IL-derived materials such as facile synthesis, high specific surface area, and nitrogen content make them promising candidates for CO2 capture. In this chapter, we review the recent research progress on IL-derived carbonaceous materials and their potential CO2 separation application. C1 [Zhu, Xiang; Chi-Linh Do-Thanh; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov OI Do-Thanh, Chi-Linh/0000-0003-2263-8331 NR 43 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2196-6982 BN 978-3-642-54646-4; 978-3-642-54645-7 J9 GREEN CHEM SUSTAIN T PY 2014 BP 1 EP 14 DI 10.1007/978-3-642-54646-4_1 D2 10.1007/978-3-642-54646-4 PG 14 WC Chemistry, Organic; Chemistry, Physical; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA BF8OQ UT WOS:000385216400002 ER PT S AU Lu, AH Dai, S AF Lu, An-Hui Dai, Sheng BE Lu, AH Dai, S TI Porous Materials for Carbon Dioxide Capture Preface SO POROUS MATERIALS FOR CARBON DIOXIDE CAPTURE SE Green Chemistry and Sustainable Technology LA English DT Editorial Material; Book Chapter C1 [Lu, An-Hui] Dalian Univ Technol, Sch Chem Engn, State Key Lab Fine Chem, Dalian, Peoples R China. [Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Lu, AH (reprint author), Dalian Univ Technol, Sch Chem Engn, State Key Lab Fine Chem, Dalian, Peoples R China. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2196-6982 BN 978-3-642-54646-4; 978-3-642-54645-7 J9 GREEN CHEM SUSTAIN T PY 2014 BP V EP VI D2 10.1007/978-3-642-54646-4 PG 2 WC Chemistry, Organic; Chemistry, Physical; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA BF8OQ UT WOS:000385216400001 ER PT S AU Park, YS Zhao, XR Korthals, S AF Park, Young Soo Zhao, Xiaorui Korthals, Scott GP IEEE TI Simulation of Augmented Telerobotic Operation SO PROCEEDINGS OF 2014 INTERNATIONAL SYMPOSIUM ON OPTOMECHATRONIC TECHNOLOGIES (ISOT) SE International Symposium on Optomechatronic Technologies LA English DT Proceedings Paper CT International Symposium on Optomechatronic Technologies (ISOT) CY NOV 05-07, 2014 CL Seattle, WA SP IEEE Comp Soc, Univ Washington, Mech Engn, ChinaSteel, JOEM, JSPE, Univ Washington, Elect Engn, Mitutoyo DE teleoperation; simulator; augmented reality; virtual fixtures; 3D sensing and modeling AB This paper presents an augmented reality system which facilitates user interactive simulation of teleoperation of robotic systems. Leveraging the recent advances in augmented reality and 3D sensing and modeling technologies, the system facilitates various concepts of enhanced teleoperation, including virtual fixture, teleautonomy, and augmented teleoperation. A series of test operations was made using the virtual simulator, which demonstrated the potential benefits of the use of augmented reality technique for enhancement of teleoperation performance. C1 [Park, Young Soo; Zhao, Xiaorui; Korthals, Scott] Argonne Natl Lab, Nucl Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA. RP Park, YS (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA. EM ypark@anl.gov NR 9 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2304-0572 BN 978-1-4799-6666-0 J9 INT SYMPOS OPTOMECH PY 2014 BP 242 EP 246 DI 10.1109/ISOT.2014.65 PG 5 WC Engineering, Electrical & Electronic; Engineering, Mechanical; Optics SC Engineering; Optics GA BG9ON UT WOS:000393497300057 ER PT S AU Dugger, MT Groysman, D Celina, MC Alam, TM Argibay, N Nation, BL Prasad, SV AF Dugger, M. T. Groysman, D. Celina, M. C. Alam, T. M. Argibay, N. Nation, B. L. Prasad, S. V. GP IEEE TI Mechanically-Induced Degradation of Metallic Sliding Electrical Contacts in Silicone Fluid at Room Temperature SO PROCEEDINGS OF 2014 SIXTIETH IEEE HOLM CONFERENCE ON ELECTRICAL CONTACTS (HOLM) SE Electrical Contacts-IEEE Holm Conference on Electrical Contacts LA English DT Proceedings Paper CT IEEE 60th Holm Conference on Electrical Contacts (Holm) CY OCT 12-15, 2014 CL New Orleans, LA SP IEEE, Inst Elect & Elect Engineers, Components, Packaging, & Mfg Technol Soc DE silicone; palladium; copper; friction polymer AB The degradation in electrical contact resistance of a contact pair sliding while submerged in silicone fluid has been investigated. While the contamination of electrical contacts by silicone vapors or migrating species at elevated temperature due to decomposition in electric arcs is well known, the present degradation mechanism appears to arise from chemical reactions in the silicone fluid at room temperature, catalyzed by the presence of the freshly-abraded metal surface. As a result of these reactions, a deposit containing Si, C and O forms in the vicinity of mechanical contact. The specific contact metals present and the availability of dissolved oxygen in the fluid have a dramatic influence on the quantity of reaction product formed. The chemistry of the deposit, proposed formation mechanisms, the impact on electrical contact resistance and mitigation strategies are discussed. C1 [Dugger, M. T.] Sandia Natl Labs, Mat Sci & Engn Ctr, POB 5800, Albuquerque, NM 87185 USA. Sandia Natl Labs, Engn Design & Integrat Ctr, POB 5800, Albuquerque, NM 87185 USA. RP Dugger, MT (reprint author), Sandia Natl Labs, Mat Sci & Engn Ctr, POB 5800, Albuquerque, NM 87185 USA. EM mtdugge@sandia.gov 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 1062-6808 BN 978-1-4799-6068-2 J9 ELECTR CONTACT PY 2014 BP 99 EP 104 PG 6 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BE2RA UT WOS:000369895500016 ER PT J AU Anger, E Yalamanchili, S Pakin, S McCormick, P AF Anger, Eric Yalamanchili, Sudhakar Pakin, Scott McCormick, Patrick GP IEEE TI Architecture-Independent Modeling of Intra-Node Data Movement SO PROCEEDINGS OF LLVM-HPC 14 2014 LLVM COMPILER INFRASTRUCTURE IN HPC LA English DT Proceedings Paper CT Proceedings LLVM-HPC 14 2014 LLVM Compiler Infrastructure HPC CY NOV 16-21, 2014 CL New Orleans, LA SP ACM, IEEE Comp Soc, sigphc ID PERFORMANCE; MEMORY; INTERFACE; STANDARD; CACHES AB A primary concern of future high performance systems is the way data movement is managed; the sheer scale of data to be processed directly affects the achievable performance these systems can attain. However, the increasingly complex but inherently symbiotic relationships between upcoming scientific applications and high-performance architectures necessitate increasingly informative and flexible tools to ensure performance goals are met. In this work we develop a memory-hierarchy model that quantifies a given application's cache behavior. What makes this work unique is that we instrument code at compile time, gather architecture-independent data at run time using a generic memory-hierarchy model, and delay selecting a particular cache hierarchy (levels, sizes, and associativities) to a post-processing step, where cache performance can be derived rapidly without having to re-run a slow cache simulator. We show that this approach is capable of predicting cache misses to within 13% of what is predicted by a traditional, high-fidelity, but slow cache simulator. C1 [Anger, Eric; Yalamanchili, Sudhakar] Georgia Inst Technol, Atlanta, GA 30332 USA. [Pakin, Scott; McCormick, Patrick] Los Alamos Natl Lab, Los Alamos, NM USA. RP Anger, E (reprint author), Georgia Inst Technol, Atlanta, GA 30332 USA. EM eanger@gatech.edu; sudha@gatech.edu; pakin@lanl.gov; pat@lanl.gov OI Pakin, Scott/0000-0002-5220-1985 NR 41 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-7023-0 PY 2014 BP 29 EP 39 DI 10.1109/LLVM-HPC.2014.6 PG 11 WC Engineering, Electrical & Electronic SC Engineering GA BF3IW UT WOS:000380547300004 ER PT J AU Protze, J Atzeni, S Ahn, DH Schulz, M Gopalakrishnan, G Muller, MS Laguna, I Rakamaric, Z Lee, GL AF Protze, Joachim Atzeni, Simone Ahn, Dong H. Schulz, Martin Gopalakrishnan, Ganesh Mueller, Matthias S. Laguna, Ignacio Rakamaric, Zvonimir Lee, Greg L. GP IEEE TI Towards Providing Low-Overhead Data Race Detection for Large OpenMP Applications SO PROCEEDINGS OF LLVM-HPC 14 2014 LLVM COMPILER INFRASTRUCTURE IN HPC LA English DT Proceedings Paper CT Proceedings LLVM-HPC 14 2014 LLVM Compiler Infrastructure HPC CY NOV 16-21, 2014 CL New Orleans, LA SP ACM, IEEE Comp Soc, sigphc AB Neither static nor dynamic data race detection methods, by themselves, have proven to be sufficient for large HPC applications, as they often result in high runtime overheads and/or low race-checking accuracy. While combined static and dynamic approaches can fare better, creating such combinations, in practice, requires attention to many details. Specifically, existing state-ofthe-art dynamic race detectors are aimed at low-level threading models, and cannot handle high-level models such as OpenMP. Further, they do not provide mechanisms by which static analysis methods can target selected regions of code with sufficient precision. In this paper, we present our solutions to both challenges. Specifically, we identify patterns within OpenMP runtimes that tend to mislead existing dynamic race checkers and provide mechanisms that help establish an explicit happens before relation to prevent such misleading checks. We also implement a fine-grained blacklist mechanism to allow a runtime analyzer to exclude regions of code at line number granularity. We support race checking by adapting ThreadSanitizer, a mature data-race checker developed at Google that is now an integral part of Clang and GCC; and we have implemented our techniques within the state-of-the-art Intel OpenMP Runtime. Our results demonstrate that these techniques can significantly improve runtime analysis accuracy and overhead in the context of data race checking of OpenMP applications. C1 [Protze, Joachim; Mueller, Matthias S.] Rhein Westfal TH Aachen, Aachen, Germany. [Atzeni, Simone; Gopalakrishnan, Ganesh; Rakamaric, Zvonimir] Univ Utah, Salt Lake City, UT 84112 USA. [Ahn, Dong H.; Schulz, Martin; Laguna, Ignacio; Lee, Greg L.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Protze, J (reprint author), Rhein Westfal TH Aachen, Aachen, Germany. EM protze@itc.rwth-aachen.de; simone@cs.utah.edu; ahn1@llnl.gov; schulzm@llnl.gov; ganesh@cs.utah.edu; mueller@itc.rwth-aachen.de; lagunaperalt1@llnl.gov; zvonimir@cs.utah.edu; lee218@llnl.gov NR 13 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4799-7023-0 PY 2014 BP 40 EP 47 DI 10.1109/LLVM-HPC.2014.7 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA BF3IW UT WOS:000380547300005 ER PT S AU Anders, A AF Anders, Andre GP IEEE TI Ion energies in vacuum arcs: A critical review of data and theories leading to traveling potential humps SO PROCEEDINGS OF THE 2014 26TH INTERNATIONAL SYMPOSIUM ON DISCHARGES AND ELECTRICAL INSULATION IN VACUUM (ISDEIV-2014) SE International Symposium on Discharges and Electrical Insulation in a Vacuum LA English DT Proceedings Paper CT 26th International Symposium on Discharges and Electrical Insulation in Vacuum (ISDEIV) CY SEP 28-OCT 03, 2014 CL Bhabha Atom Res Ctr, Mumbai, INDIA SP Indian Vacuum Soc, Plansee, IEEE DEIS, Toshiba, Schneider Elect, DAE, IEEE, BRNS HO Bhabha Atom Res Ctr ID CATHODE SPOTS; ECTON MECHANISM; PLASMA; EXPANSION; PARAMETERS; VOLTAGE; REGION; FLUX AB A summary of the 2014 Dyke Award presentation is given in the form of an Extended Abstract. Ion energy data and theories are reviewed. It is shown that the potential hump theory can be reconciled with the gasdynamic acceleration theory by considering traveling potential humps, each of which is associated with an explosive emission event. Using information from pulsed laser plasma expansion, it is appears natural and consistent to have traveling humps whose heights are related to the local power dissipation of the explosive plasma-forming events. In this way, ion velocities (energies) are material-dependent following the Cohesive Energy Rule and exhibit fractal (statistical) features. C1 [Anders, Andre] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 53, Berkeley, CA 94720 USA. RP Anders, A (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 53, Berkeley, CA 94720 USA. EM aanders@lbl.gov NR 33 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1093-2941 BN 978-1-4799-6750-6 J9 INT SYM DISCH ELECTR PY 2014 BP VIII EP XI PG 4 WC Engineering, Electrical & Electronic SC Engineering GA BE2QM UT WOS:000369858100001 ER PT S AU Anders, A AF Anders, Andre GP IEEE TI Ion energies in vacuum arcs: A critical review of data and theories leading to traveling potential humps SO PROCEEDINGS OF THE 2014 26TH INTERNATIONAL SYMPOSIUM ON DISCHARGES AND ELECTRICAL INSULATION IN VACUUM (ISDEIV-2014) SE International Symposium on Discharges and Electrical Insulation in a Vacuum LA English DT Proceedings Paper CT 26th International Symposium on Discharges and Electrical Insulation in Vacuum (ISDEIV) CY SEP 28-OCT 03, 2014 CL Bhabha Atom Res Ctr, Mumbai, INDIA SP Indian Vacuum Soc, Plansee, IEEE DEIS, Toshiba, Schneider Elect, DAE, IEEE, BRNS HO Bhabha Atom Res Ctr ID CATHODE SPOTS; ECTON MECHANISM; PLASMA; EXPANSION; PARAMETERS; VOLTAGE; REGION; FLUX AB A summary of the 2014 Dyke Award presentation is given in the form of an Extended Abstract. Ion energy data and theories are reviewed. It is shown that the potential hump theory can be reconciled with the gasdynamic acceleration theory by considering traveling potential humps, each of which is associated with an explosive emission event. Using information from pulsed laser plasma expansion, it is appears natural and consistent to have traveling humps whose heights are related to the local power dissipation of the explosive plasma-forming events. In this way, ion velocities (energies) are material-dependent following the Cohesive Energy Rule and exhibit fractal (statistical) features. C1 [Anders, Andre] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 53, Berkeley, CA 94720 USA. RP Anders, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 53, Berkeley, CA 94720 USA. EM aanders@lbl.gov RI Anders, Andre/B-8580-2009 OI Anders, Andre/0000-0002-5313-6505 NR 32 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1093-2941 BN 978-1-4799-6750-6 J9 INT SYM DISCH ELECTR PY 2014 BP 201 EP 204 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA BE2QM UT WOS:000369858100052 ER PT S AU Patel, KM Udintsev, VS Vayakis, G Giacomin, T Johnson, D Maquet, P Pandya, HKB Penot, C Portales, M Proust, M Oosterbeek, JW Vershkov, V Walsh, MJ AF Patel, K. M. Udintsev, V. S. Vayakis, G. Giacomin, T. Johnson, D. Maquet, Ph. Pandya, H. K. B. Penot, C. Portales, M. Proust, M. Oosterbeek, J. W. Vershkov, V. Walsh, M. J. GP IEEE TI Engineering aspects of Microwave diagnostics in ITER SO PROCEEDINGS OF THE 2014 26TH INTERNATIONAL SYMPOSIUM ON DISCHARGES AND ELECTRICAL INSULATION IN VACUUM (ISDEIV-2014) SE International Symposium on Discharges and Electrical Insulation in a Vacuum LA English DT Proceedings Paper CT 26th International Symposium on Discharges and Electrical Insulation in Vacuum (ISDEIV) CY SEP 28-OCT 03, 2014 CL Bhabha Atom Res Ctr, Mumbai, INDIA SP Indian Vacuum Soc, Plansee, IEEE DEIS, Toshiba, Schneider Elect, DAE, IEEE, BRNS HO Bhabha Atom Res Ctr AB Microwave diagnostics have potential to provide localized measurement of the electron density (ne) and temperature (Te) with good spatial (a few cm) and temporal (< 1 ms) resolutions through all phases of ITER. Development of these diagnostics is a major challenge because of severe environment, strict engineering requirements, safety issues and the need for high reliability in the measurements. Most of the diagnostic components that are placed in a high radiation environment are expected to operate in this environment for a period at least until the next planned maintenance session. This paper will cover the conceptual design of microwave diagnostics and their interface with vacuum vessel and port plugs. C1 [Udintsev, V. S.; Vayakis, G.; Giacomin, T.; Maquet, Ph.; Penot, C.; Portales, M.; Proust, M.; Walsh, M. J.] ITER Org, Route VinonsurVerdon, F-13115 St Paul Les Durance, France. [Johnson, D.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Patel, K. M.; Pandya, H. K. B.] Inst Plasma Res, Nr Indira Bridge, Bhat 382428, Gandhinagar, India. [Oosterbeek, J. W.] Tech Univ Eindhoven, NL-5600 MB Eindhoven, Netherlands. [Vershkov, V.] Fus Ctr, Moscow, Russia. RP Patel, KM (reprint author), Inst Plasma Res, Nr Indira Bridge, Bhat 382428, Gandhinagar, India. EM kaushal@ipr.res.in NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1093-2941 BN 978-1-4799-6750-6 J9 INT SYM DISCH ELECTR PY 2014 BP 637 EP 640 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA BE2QM UT WOS:000369858100161 ER PT S AU Roser, R AF Roser, Robert BE Tolk, A Yilmaz, L Diallo, SY Ryzhov, IO TI THE HIGGS BOSON - THE SEARCH FOR THE PARTICLE AND THE ROLE OF SIMULATION SO PROCEEDINGS OF THE 2014 WINTER SIMULATION CONFERENCE (WSC) SE Winter Simulation Conference Proceedings LA English DT Proceedings Paper CT Winter Simulation Conference CY DEC 07-10, 2014 CL Savannah, GA C1 [Roser, Robert] Fermilab Natl Accelerator Lab, Box 500, Batavia, IL USA. RP Roser, R (reprint author), Fermilab Natl Accelerator Lab, Box 500, Batavia, IL 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 SN 0891-7736 BN 978-1-4799-7486-3 J9 WINT SIMUL C PROC PY 2014 BP 1 EP 2 PG 2 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BG4XP UT WOS:000389248200001 ER PT S AU Macal, C North, M AF Macal, Charles North, Michael BE Tolk, A Yilmaz, L Diallo, SY Ryzhov, IO TI INTRODUCTORY TUTORIAL: AGENT-BASED MODELING AND SIMULATION SO PROCEEDINGS OF THE 2014 WINTER SIMULATION CONFERENCE (WSC) SE Winter Simulation Conference Proceedings LA English DT Proceedings Paper CT Winter Simulation Conference CY DEC 07-10, 2014 CL Savannah, GA ID ODD PROTOCOL AB Agent-based simulation (ABS) is an approach to modeling systems comprised of individual, autonomous, interacting "agents." Agent-based modeling offers ways to more easily model individual behaviors and how behaviors affect others in ways that have not been available before. There is much interest in developing agent-based models for many application problem domains. Applications range from modeling agent behavior in supply chains and the stock market, to predicting the success of marketing campaigns and the spread of epidemics, to projecting the future needs of the healthcare system. Progress in the area suggests that ABS promises to have far-reaching effects on the way that businesses use computers to support decision-making and researchers use agent-based models as electronic laboratories to aid in discovery. This brief tutorial introduces agent-based modeling and simulation by describing the basic ideas of ABS, discussing some applications, and addressing methods for developing agent-based models. C1 [Macal, Charles; North, Michael] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Macal, C (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM macal@anl.gov; north@anl.gov NR 69 TC 1 Z9 1 U1 3 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0891-7736 BN 978-1-4799-7486-3 J9 WINT SIMUL C PROC PY 2014 BP 6 EP 20 PG 15 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BG4XP UT WOS:000389248200004 ER PT S AU Macal, C Thimmapuram, P Koritarov, V Conzelmann, G Veselka, T North, M Mahalik, M Botterud, A Cirillo, R AF Macal, Charles Thimmapuram, Prakash Koritarov, Vladimir Conzelmann, Guenter Veselka, Thomas North, Michael Mahalik, Matthew Botterud, Audun Cirillo, Richard BE Tolk, A Yilmaz, L Diallo, SY Ryzhov, IO TI AGENT-BASED MODELING OF ELECTRIC POWER MARKETS SO PROCEEDINGS OF THE 2014 WINTER SIMULATION CONFERENCE (WSC) SE Winter Simulation Conference Proceedings LA English DT Proceedings Paper CT Winter Simulation Conference CY DEC 07-10, 2014 CL Savannah, GA ID SIMULATION; EFFICIENCY; ENGLAND; WALES AB A novel agent-based model, the Electricity Market Complex Adaptive System (EMCAS) model, is designed to study market restructuring and the impact of new technologies on the power grid. The agent-based approach captures the complex interactions between the physical infrastructure and the economic behaviors of various agents operating in an electricity market. The electric power system model consists of power generating plants, transmission lines, and load centers. The electric power market is composed of generating company agents who bid capacity and prices into power pools administered by an Independent System Operator (ISO). The ISO agent balances supply and demand for day-ahead markets. EMCAS also simulates real-time market operation to account for the uncertainties in day-ahead forecasts and availability of generating units. This paper describes the model, its implementation, and its use to address questions of congestion management, price forecasting, market design, and market power. C1 [Macal, Charles; Thimmapuram, Prakash; Koritarov, Vladimir; Conzelmann, Guenter; Veselka, Thomas; North, Michael; Mahalik, Matthew; Botterud, Audun; Cirillo, Richard] Argonne Natl Lab, Decis & Informat Sci Div, 9700 South Cass Ave, Argonne, IL 60439 USA. RP Macal, C (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 South Cass Ave, Argonne, IL 60439 USA. EM macal@anl.gov; prakash@anl.gov; koritarov@anl.gov; guenter@anl.gov; tdveselka@anl.gov; north@anl.gov; mahalik@anl.gov; abotterud@anl.gov; cirillor@anl.gov NR 23 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0891-7736 BN 978-1-4799-7486-3 J9 WINT SIMUL C PROC PY 2014 BP 276 EP 287 PG 12 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BG4XP UT WOS:000389248200025 ER PT S AU Bhaduri, BL Bright, EA Rose, AN Liu, C Urban, ML Stewart, RN AF Bhaduri, Budhendra L. Bright, Edward A. Rose, Amy N. Liu, Cheng Urban, Marie L. Stewart, Robert N. BE Tolk, A Yilmaz, L Diallo, SY Ryzhov, IO TI DATA DRIVEN APPROACH FOR HIGH RESOLUTION POPULATION DISTRIBUTION AND DYNAMICS MODELS SO PROCEEDINGS OF THE 2014 WINTER SIMULATION CONFERENCE (WSC) SE Winter Simulation Conference Proceedings LA English DT Proceedings Paper CT Winter Simulation Conference CY DEC 07-10, 2014 CL Savannah, GA ID AREAL INTERPOLATION; SIMULATION; CENSUS AB High resolution population distribution data are vital for successfully addressing critical issues ranging from energy and socio-environmental research to public health to human security. Commonly available population data from Census is constrained both in space and time and does not capture population dynamics as functions of space and time. This imposes a significant limitation on the fidelity of event-based simulation models with sensitive space-time resolution. This paper describes ongoing development of high-resolution population distribution and dynamics models, at Oak Ridge National Laboratory, through spatial data integration and modeling with behavioral or activity-based mobility datasets for representing temporal dynamics of population. The model is resolved at 1 km resolution globally and describes the U.S. population for nighttime and daytime at 90m. Integration of such population data provides the opportunity to develop simulations and applications in critical infrastructure management from local to global scales. C1 [Bhaduri, Budhendra L.; Bright, Edward A.; Rose, Amy N.; Liu, Cheng; Urban, Marie L.; Stewart, Robert N.] Oak Ridge Natl Lab, Computat Sci & Engn, Oak Ridge, TN 37934 USA. RP Bhaduri, BL (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn, Oak Ridge, TN 37934 USA. EM bhaduribl@ornl.gov; brightea@ornl.gov; rosean@ornl.gov; liuc@ornl.gov; urbanml@ornl.gov; stewartrn@ornl.gov NR 33 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0891-7736 BN 978-1-4799-7486-3 J9 WINT SIMUL C PROC PY 2014 BP 842 EP 850 PG 9 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BG4XP UT WOS:000389248201011 ER PT S AU Powers, S AF Powers, Sarah BE Tolk, A Yilmaz, L Diallo, SY Ryzhov, IO TI A STUDY OF THE IMPACT OF SCHEDULING PARAMETERS IN HETEROGENEOUS COMPUTING ENVIRONMENTS SO PROCEEDINGS OF THE 2014 WINTER SIMULATION CONFERENCE (WSC) SE Winter Simulation Conference Proceedings LA English DT Proceedings Paper CT Winter Simulation Conference CY DEC 07-10, 2014 CL Savannah, GA ID ENERGY AB This paper describes a tool for exploring system scheduler parameter settings in a heterogeneous computing environment. Through the coupling of simulation and optimization techniques, this work investigates optimal scheduling intervals, the impact of job arrival prediction on scheduling, as well as how to best apply fair use policies. The developed simulation framework is quick and modular, enabling decision makers to further explore decisions in real-time regarding scheduling policies or parameter changes. C1 [Powers, Sarah] Oak Ridge Natl Lab, Comp Sci & Math Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Powers, S (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. NR 20 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0891-7736 BN 978-1-4799-7486-3 J9 WINT SIMUL C PROC PY 2014 BP 933 EP 942 PG 10 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BG4XP UT WOS:000389248201019 ER PT S AU Portante, EC Folga, SF Kavicky, JA Malone, LT AF Portante, Edgar C. Folga, Stephen F. Kavicky, James A. Malone, Leah Talaber BE Tolk, A Yilmaz, L Diallo, SY Ryzhov, IO TI SIMULATION OF THE SEPTEMBER 8, 2011, SAN DIEGO BLACKOUT SO PROCEEDINGS OF THE 2014 WINTER SIMULATION CONFERENCE (WSC) SE Winter Simulation Conference Proceedings LA English DT Proceedings Paper CT Winter Simulation Conference CY DEC 07-10, 2014 CL Savannah, GA AB The development of predictive tools for emergency management has recently become a subject of major consideration among emergency responders, especially at the federal level. Often the news of an impending high-consequence threat causes significant stress on these agencies because of their inability to apprise management of probable impacts with sufficient certainty. This paper documents Argonne National Laboratory's effort to demonstrate the predictive capability of its newly enhanced tool called EPfast in estimating the impacts of postulated events on our power system. Specifically, the study focuses on EPfast's ability to estimate power outage areas resulting from random system contingencies. The San Diego September 8, 2011, blackout that affected most of southern California was selected for simulation using EPfast. Results showed agreement with actual reported impacts in both spatial and quantitative terms. The method, assumptions, and data used are presented here, and results showing their potential application to emergency planning are discussed. C1 [Portante, Edgar C.; Folga, Stephen F.; Kavicky, James A.; Malone, Leah Talaber] Argonne Natl Lab, 9700 South Cass Ave, Argonne, IL 60432 USA. RP Portante, EC (reprint author), Argonne Natl Lab, 9700 South Cass Ave, Argonne, IL 60432 USA. EM ecportante@anl.gov; sfolga@anl.gov; kavicky@anl.gov; ltalaber@anl.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0891-7736 BN 978-1-4799-7486-3 J9 WINT SIMUL C PROC PY 2014 BP 1527 EP 1538 PG 12 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BG4XP UT WOS:000389248202002 ER PT S AU North, MJ AF North, Michael J. BE Tolk, A Yilmaz, L Diallo, SY Ryzhov, IO TI A TIME AND SPACE COMPLEXITY ANALYSIS OF MODEL INTEGRATION SO PROCEEDINGS OF THE 2014 WINTER SIMULATION CONFERENCE (WSC) SE Winter Simulation Conference Proceedings LA English DT Proceedings Paper CT Winter Simulation Conference CY DEC 07-10, 2014 CL Savannah, GA ID AGENT-BASED MODELS; EFFICIENT ALGORITHM; MULTIPARADIGM AB The computational study of complex systems increasingly requires model integration. The drivers include a growing interest in leveraging accepted legacy models, an intensifying pressure to reduce development costs by reusing models, and expanding user requirements that are best met by combining different modeling methods. There have been many published successes including supporting theory, conceptual frameworks, software tools, and case studies. Nonetheless, on an empirical basis, the published work suggests that correctly specifying model integration strategies remains challenging. This naturally raises a question that has not yet been answered in the literature, namely 'what is the computational difficulty of model integration?' This paper's contribution is to address this question with a time and space complexity analysis that concludes that deep model integration with proven correctness is both NP-complete and PSPACE-complete and that reducing this complexity requires sacrificing correctness proofs in favor of guidance from both subject matter experts and modeling specialists. C1 [North, Michael J.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP North, MJ (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM north@anl.gov NR 35 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0891-7736 BN 978-1-4799-7486-3 J9 WINT SIMUL C PROC PY 2014 BP 1644 EP 1651 PG 8 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BG4XP UT WOS:000389248202012 ER PT S AU Yoginath, SB Perumalla, KS AF Yoginath, Srikanth B. Perumalla, Kalyan S. BE Tolk, A Yilmaz, L Diallo, SY Ryzhov, IO TI DESIGN OF A HIGH-FIDELITY TESTING FRAMEWORK FOR SECURE ELECTRIC GRID CONTROL SO PROCEEDINGS OF THE 2014 WINTER SIMULATION CONFERENCE (WSC) SE Winter Simulation Conference Proceedings LA English DT Proceedings Paper CT Winter Simulation Conference CY DEC 07-10, 2014 CL Savannah, GA AB A solution methodology and implementation components are presented that can uncover unwanted, unintentional or unanticipated effects on electric grids from changes to actual electric grid control software. A new design is presented to leapfrog over the limitations of current modeling and testing techniques for cyber technologies in electric grids. We design a fully virtualized approach in which actual, unmodified operational software under test is enabled to interact with simulated surrogates of electric grids. It enables the software to influence the (simulated) grid operation and vice versa in a controlled, high fidelity environment. Challenges in achieving such capability include achieving low-overhead time control mechanisms in hypervisor schedulers, network capture and time-stamping, translation of network packets emanating from grid software into discrete events of virtual grid models, translation back from virtual sensors/actuators into data packets to control software, and transplanting the entire system onto an accurately and efficiently maintained virtual-time plane. C1 [Yoginath, Srikanth B.; Perumalla, Kalyan S.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Yoginath, SB (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. EM yoginathsb@ornl.gov; perumallaks@ornl.gov NR 15 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0891-7736 BN 978-1-4799-7486-3 J9 WINT SIMUL C PROC PY 2014 BP 3024 EP 3035 PG 12 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BG4XP UT WOS:000389248203067 ER PT S AU Mubarak, M Carothers, CD Ross, RB Carns, P AF Mubarak, Misbah Carothers, Christopher D. Ross, Robert B. Carns, Philip BE Tolk, A Yilmaz, L Diallo, SY Ryzhov, IO TI USING MASSIVELY PARALLEL SIMULATION FOR MPI COLLECTIVE COMMUNICATION MODELING IN EXTREME-SCALE NETWORKS SO PROCEEDINGS OF THE 2014 WINTER SIMULATION CONFERENCE (WSC) SE Winter Simulation Conference Proceedings LA English DT Proceedings Paper CT Winter Simulation Conference CY DEC 07-10, 2014 CL Savannah, GA ID SYSTEM AB MPI collective operations are a critical and frequently used part of most MPI-based large-scale scientific applications. In previous work, we have enabled the Rensselaer Optimistic Simulation System ( ROSS) to predict the performance of MPI point-to-point messaging on high-fidelity million-node network simulations of torus and dragonfly interconnects. The main contribution of this work is an extension of these torus and dragonfly network models to support MPI collective communication operations using the optimistic event scheduling capability of ROSS. We demonstrate that both small- and large-scale ROSS collective communication models can execute efficiency on massively parallel architectures. We validate the results of our collective communication model against the measurements from IBM Blue Gene/Q and Cray XC30 platforms using a data-driven approach on our network simulations. We also perform experiments to explore the impact of tree degree on the performance of collective communication operations in large-scale network models. C1 [Mubarak, Misbah; Carothers, Christopher D.] Rensselaer Polytech Inst, Dept Comp Sci, 110 8th St, Troy, NY 12180 USA. [Ross, Robert B.; Carns, Philip] Argonne Natl Lab, MCS Div, Argonne, IL 60439 USA. RP Mubarak, M (reprint author), Rensselaer Polytech Inst, Dept Comp Sci, 110 8th St, Troy, NY 12180 USA. EM mubarm@cs.rpi.edu; chrisc@cs.rpi.edu; rross@mcs.anl.gov; carns@mcs.anl.gov NR 26 TC 3 Z9 3 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0891-7736 BN 978-1-4799-7486-3 J9 WINT SIMUL C PROC PY 2014 BP 3107 EP 3118 PG 12 WC Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BG4XP UT WOS:000389248204001 ER PT B AU Van Valkenburg, T Petru, EF Diepolder, PR Sandquist, GM AF Van Valkenburg, Taunia Petru, Ernie F. Diepolder, Paula R. Sandquist, Gary M. GP ASME TI CURRENT IMPLEMENTATION OF THE QUALITY ASSURANCE PROGRAM AT THE UNITED STATES LOS ALAMOS NATIONAL LABORATORY SO PROCEEDINGS OF THE 22ND INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2014, VOL 1 LA English DT Proceedings Paper CT 22nd International Conference on Nuclear Engineering (ICONE22) CY JUL 07-11, 2014 CL Prague, CZECH REPUBLIC SP ASME, Nucl Engn Div, Japan Soc Mech Engineers, Chinese Nucl Soc DE Quality Assurance; LANL; DOE; 10 CFR 830; ASME; NQA-1 AB The Los Alamos National Laboratory (LANL) is a one of the largest and diverse science and technological institutions in the world. The size and sophistication of LANL's facilities and workforce present a unique challenge to develop and implement a Quality Assurance (QA) program that meets LANL's needs. LANL has updated its QA Program to a targeted, requirements-based approach, and broadened its Quality Assurance technical expertise into essential technical areas. The expanded areas of expertise include engineering, project management, nuclear facility operations, and weapons design and fabrication. This approach is achieving success as evidenced on an institutional level by LANL's receipt of various national, international and local awards for its products and services. Success is also realized on the QA Program level with sufficient recognition of the importance of the QA Program by the LANL workforce. However, QA program challenges remain in areas of expanding the importance of QA; streamlining the grading process and ensuring the program is commensurate with risk and customer expectations; maintaining sufficient authority and freedom from line management for deployed QA personnel while continuing to increase the technical breadth of QA personnel. These are the focus areas to continuously improve the LANL QA Program. C1 [Van Valkenburg, Taunia; Petru, Ernie F.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Diepolder, Paula R.] Los Alamos Natl Lab, EMC Inc, Los Alamos, NM USA. [Sandquist, Gary M.] Appl Sci Profess LLC, Salt Lake City, UT USA. RP Van Valkenburg, T (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA. EM tauniav@lanl.gov; epetru@lanl.gov; diepolder@lanl.gov; gms@asp-lic.com NR 4 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4589-9 PY 2014 AR V001T07A015 PG 5 WC Engineering, Mechanical; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA BE0UY UT WOS:000367108000101 ER PT B AU Mesina, GL Aumiller, DL Buschman, FX AF Mesina, George L. Aumiller, David L. Buschman, Francis X. GP ASME TI AUTOMATED, HIGHLY ACCURATE VERIFICATION OF RELAP5-3D SO PROCEEDINGS OF THE 22ND INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2014, VOL 2B LA English DT Proceedings Paper CT 22nd International Conference on Nuclear Engineering (ICONE22) CY JUL 07-11, 2014 CL Prague, CZECH REPUBLIC SP ASME, Nucl Engn Div, Japan Soc Mech Engineers, Chinese Nucl Soc AB Computer programs that analyze light water reactor safety solve complex systems of governing, closure and special process equations to model the underlying physics. In addition, these programs incorporate many other features and are quite large. RELAP5-3D([1]) has over 300,000 lines of coding for physics, input, output, data management, user-interaction, and post-processing. For software quality assurance, the code must be verified and validated before being released to users. Verification ensures that a program is built right by checking that it meets its design specifications. Recently, there has been an increased importance on the development of automated verification processes that compare coding against its documented algorithms and equations and compares its calculations against analytical solutions and the method of manufactured solutionsf([2]). For the first time, the ability exists to ensure that the data transfer operations associated with timestep advancement/repeating and writing/reading a solution to a file have no unintended consequences. To ensure that the code performs as intended over its extensive list of applications, an automated and highly accurate verification method has been modified and applied to RELAP5-3D. Furthermore, mathematical analysis of the adequacy of the checks used in the comparisons is provided. C1 [Mesina, George L.] Idaho Natl Lab, Idaho Falls, ID 83402 USA. [Aumiller, David L.; Buschman, Francis X.] Bettis Lab, Pittsburgh, PA USA. RP Mesina, GL (reprint author), Idaho Natl Lab, Idaho Falls, ID 83402 USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4591-2 PY 2014 AR V02BT09A054 PG 7 WC Engineering, Mechanical; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA BE0WA UT WOS:000367111900054 ER PT B AU Humphries, LL Merrill, BJ Louie, DL AF Humphries, Larry L. Merrill, Brad J. Louie, David L. GP ASME TI INTEGRATION OF CONTAIN LIQUID METAL MODELS INTO THE MELCOR CODE SO PROCEEDINGS OF THE 22ND INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2014, VOL 3 LA English DT Proceedings Paper CT 22nd International Conference on Nuclear Engineering (ICONE22) CY JUL 07-11, 2014 CL Prague, CZECH REPUBLIC SP ASME, Nucl Engn Div, Japan Soc Mech Engineers, Chinese Nucl Soc ID REACTOR SAFETY ANALYSIS; THERMODYNAMIC PROPERTIES; EQUATIONS; STATE AB A sodium coolant accident analysis code is necessary to provide regulators with a means of performing confirmatory analyses for future sodium reactor licensing submissions. MELCOR and CONTAIN, which are currently employed by the U.S. Nuclear Regulatory Commission (NRC) for light water reactor (LWR) licensing, have been traditionally used for level 2 and level 3 probabilistic analyses as well as containment design basis accident analysis. To meet future regulatory needs, new models will be added to the MELCOR code for simulation of Liquid Metal Reactor (LMR) designs. Existing models developed for separate effects codes will be integrated into the MELCOR architecture. This work integrates those CONTAIN code capabilities that feasibly fit within the MELCOR code architecture. Implementation of such models for sodium reactor simulation into an actively maintained, full-featured, integrated severe accident code fills a significant gap in capability for providing the necessary analysis tools for regulatory licensing. Current work scope will focus on the following implementation goals: Phase 1: Implement sodium Equations of State (EOS) as a working fluid for a MELCOR calculation from: The fusion safety database The SIMMER-III Code The SAS4a Code Phase 2: Examine and test changes to the CONTAIN-LMR Implemented by Japan Atomic Energy Agency, specifically: Aerosol Condensation Implementation of the capability for simultaneous sodium and water condensation modeling Phase 3: Implementation and Validation of CONTAIN physics models: Sodium Spray Fires (including new test data) Sodium Pool Modeling Sodium Pool Fires Phase 4: Implementation and Validation of CONTAIN chemistry models: Debris Bed/Concrete Cavity Interactions Sodium Pool Chemistry Atmospheric Chemistry An option for changing the EOS for the MELCOR working fluid from " water to liquid metal and the heat transfer from water/steam to liquid metal has been implemented into MELCOR. The property models implemented include an analytic EOS model developed for the SIMMER-III code and the fusion safety works done at Idaho National Laboratory (INL). This paper provides a summary of the status of the code development work. A description of the current models implemented together with user requirements and test calculations will be presented. C1 [Humphries, Larry L.; Louie, David L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Merrill, Brad J.] Battelle Energy Alliance LLC, Idaho Falls, ID USA. RP Humphries, LL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 18 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4593-6 PY 2014 AR V003T06A009 PG 8 WC Engineering, Mechanical; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA BE0WB UT WOS:000367117200044 ER PT B AU Miyadera, H Morris, C Bacon, JD Borozdin, KN Fujita, K Kume, N Mizokami, S Nakayama, K Otsuka, Y Perry, JO Sano, Y Sugita, T Takakura, K Yamada, D Yoshioka, K AF Miyadera, Haruo Morris, Christopher Bacon, Jeffery D. Borozdin, Konstantin N. Fujita, Kyouichi Kume, Naoto Mizokami, Shinya Nakayama, Kohichi Otsuka, Yasuyuki Perry, John O. Sano, Yuji Sugita, Tsukasa Takakura, Kei Yamada, Daichi Yoshioka, Kenichi GP ASME TI COSMIC-RAY MUON IMAGING OF FUKUSHIMA DAIICHI SO PROCEEDINGS OF THE 22ND INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2014, VOL 3 LA English DT Proceedings Paper CT 22nd International Conference on Nuclear Engineering (ICONE22) CY JUL 07-11, 2014 CL Prague, CZECH REPUBLIC SP ASME, Nucl Engn Div, Japan Soc Mech Engineers, Chinese Nucl Soc ID INNER-STRUCTURE; RADIOGRAPHY; FEASIBILITY AB Reactor imaging using scattering of cosmic-ray muon is proposed to assess the damages to the reactors at Fukushima Daiichi. Simulation studies showed feasibility of the reactor imaging with muons, and the technique has been demonstrated at a research reactor, Toshiba Nuclear Critical Assembly, where the reactor core was imaged with spatial resolution of 3 cm after 1 month of exposure time. C1 [Miyadera, Haruo; Fujita, Kyouichi; Kume, Naoto; Nakayama, Kohichi; Sano, Yuji; Sugita, Tsukasa; Takakura, Kei; Yoshioka, Kenichi] Toshiba Co Ltd, Yokohama, Kanagawa, Japan. [Morris, Christopher; Bacon, Jeffery D.; Borozdin, Konstantin N.; Perry, John O.] Los Alamos Natl Lab, Los Alamos, NM USA. [Mizokami, Shinya; Otsuka, Yasuyuki; Yamada, Daichi] Tokyo Elect Power Co Ltd, Tokyo, Japan. RP Miyadera, H (reprint author), Toshiba Co Ltd, Yokohama, Kanagawa, Japan. NR 30 TC 0 Z9 0 U1 1 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4593-6 PY 2014 AR V003T06A026 PG 5 WC Engineering, Mechanical; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA BE0WB UT WOS:000367117200061 ER PT B AU Tentner, A Merzari, E Vegendla, P AF Tentner, Adrian Merzari, Elia Vegendla, Prasad GP ASME TI COMPUTATIONAL FLUID DYNAMICS MODELING OF TWO-PHASE BOILING FLOW AND CRITICAL HEAT FLUX SO PROCEEDINGS OF THE 22ND INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2014, VOL 4 LA English DT Proceedings Paper CT 22nd International Conference on Nuclear Engineering (ICONE22) CY JUL 07-11, 2014 CL Prague, CZECH REPUBLIC SP ASME, Nucl Engn Div, Japan Soc Mech Engineers, Chinese Nucl Soc AB This paper presents recent advances in the modeling of two-phase boiling flow and critical heat flux that have been implemented in the Extended Boiling Framework (EBF) [1, 2, 3]. The EBF code was developed as a customized module built on the foundation of the commercial Computational Fluid Dynamics (CFD) code STAR-CD, which provides general two-phase flow modeling capabilities, for the detailed analysis of the two-phase flow and heat transfer phenomena that occur in Boiling Water Reactor (B'WR) fuel assemblies. These phenomena include coolant phase changes and multiple flow regimes that directly influence the coolant interaction with the fuel pins and, ultimately, the reactor performance. An effort to expand the EBF two-phase models and to explore their applicability to other CFD codes is currently underway. The paper presents results of recent CFD analyses of Critical Heat Flux (CHF) experiments that have measured the axial distribution of wall temperature in two-phase upward flow in a vertical channel with a heated wall. The experiments were designed to produce the onset of CHF in the upper half of the heated channel. The simulated axial distribution of wall temperature is compared with experimental data, illustrating the ability of the extended EBF model to capture the onset of CHF for a wide range of thermal-hydraulic conditions relevant for BWRs. The paper concludes with a discussion of results and plans for future work. C1 [Tentner, Adrian; Merzari, Elia; Vegendla, Prasad] Argonne Natl Lab, Argonne, IL 60439 USA. RP Tentner, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 13 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4594-3 PY 2014 AR V004T10A037 PG 9 WC Engineering, Mechanical; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA BE0WC UT WOS:000367117900063 ER PT J AU Ibrahim, KZ Yelick, K AF Ibrahim, Khaled Z. Yelick, Katherine BE Bode, A Gerndt, M Laure, E Stenstrom, P TI On the Conditions for Efficient Interoperability with Threads: An Experience with PGAS Languages Using Cray Communication Domains SO PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) LA English DT Proceedings Paper CT 28th ACM International Conference on Supercomputing (ICS) CY JUN 10-13, 2014 CL Munich, GERMANY SP Assoc Comp Machinery, Assoc Comp Machinery SIGARCH DE Interoperability; Communication Paradigms; Programming Languages; Processes; Threads AB Today's high performance systems are typically built front shared memory nodes connected by a high speed network. That architecture, combined with the trend towards less memory per core, encourages programmers to use a mixture of message passing and multithreaded programming. Unfortunately, the advantages of using threads for in-node programming are hindered by their inability to efficiently communicate between nodes. In this work, we identify some of the performance problems that arise in such hybrid programming environments and characterize conditions needed to achieve high communication performance for multiple threads: addressability of targets, separability of communication paths, and full direct reachability to targets. Using the GASNet communication layer [6] on the Cray XC30 as our experimental platform, we show how to satisfy these conditions. We also discuss how satisfying these conditions is influenced by the communication abstraction, implementation constraints, and the interconnect messaging capabilities. To evaluate these ideas, we compare the communication performance of a thread-based node runtime to a process based runtime. Without our GASNet extensions, thread communication is significantly slower than processes up to 21x slower. Once the implementation is modified to address each of our conditions, the two runtimes have comparable communication performance. This allows programmers to more easily mix models like OpenMP, CTLK, or pthreads with a GASNet-based model like UPC, with the associated performance, convenience and interoperability advantages that come, from using threads within a node. C1 [Ibrahim, Khaled Z.; Yelick, Katherine] Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. RP Ibrahim, KZ (reprint author), Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. EM KZIbrahim@lbl.gov; Kayelick@lbl.gov NR 13 TC 1 Z9 1 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2642-1 PY 2014 BP 23 EP 32 DI 10.1145/2597652.2597657 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BF4IE UT WOS:000380995600004 ER PT J AU Oldfield, RA Moreland, K Fabian, N Rogers, D AF Oldfield, Ron A. Moreland, Kenneth Fabian, Nathan Rogers, David BE Bode, A Gerndt, M Laure, E Stenstrom, P TI Evaluation of Methods to Integrate Analysis into a Large-Scale Shock Physics Code SO PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) LA English DT Proceedings Paper CT 28th ACM International Conference on Supercomputing (ICS) CY JUN 10-13, 2014 CL Munich, GERMANY SP Assoc Comp Machinery, Assoc Comp Machinery SIGARCH DE Case study; fragment detection; in situ analysis; in transit analysis; shock physics ID I/O AB Exascale supercomputing will embody many revolutionary changes in the hardware and software of high-performance computing. For example, projected limitations in power and I/O-system performance will fundamentally change visualization and analysis workflows. A traditional post-processing workflow involves storing simulation results to disk and later retrieving them for visualization and data analysis; however, at Exascale, post-processing approaches will not he able to capture the volume or granularity of data necessary for analysis of these extreme-scale simulations. As an alternative, researchers are exploring ways to integrate analysis and simulation without using the storage system. Tit situ and in transit are two options, hut there has not been an adequate evaluation of these approaches to identify strengths, weaknesses, and trade-offs at large scale. This paper provides a detailed performance and scaling analysis of a large-scale shock physics code using traditional post-processsing in situ, and in transit analysis to detect material fragments from a simulated explosion. C1 [Oldfield, Ron A.; Moreland, Kenneth; Fabian, Nathan] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Rogers, David] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RP Oldfield, RA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM raoldfi@sandia.gov; kmorel@sandia.gov; ndfabia@sandia.gov; dhr@lanl.gov NR 37 TC 4 Z9 4 U1 2 U2 2 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2642-1 PY 2014 BP 83 EP 92 DI 10.1145/2597652.2597668 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BF4IE UT WOS:000380995600010 ER PT J AU Pearce, O Gamblin, T de Supinski, BR Arsenlis, T Amato, NM AF Pearce, Olga Gamblin, Todd de Supinski, Bronis R. Arsenlis, Tom Amato, Nancy M. BE Bode, A Gerndt, M Laure, E Stenstrom, P TI Load Balancing N-Body Simulations with Highly Non-Uniform Density SO PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) LA English DT Proceedings Paper CT 28th ACM International Conference on Supercomputing (ICS) CY JUN 10-13, 2014 CL Munich, GERMANY SP Assoc Comp Machinery, Assoc Comp Machinery SIGARCH DE load balance; parallel algorithm; performance; simulation ID PARALLEL; ALGORITHMS; DYNAMICS AB N-body methods simulate the evolution of systems of particles (or bodies). They are critical for scientific research in fields as diverse as molecular dynamics, astrophysics, and material science. Most load balancing techniques for N-body methods use particle count to approximate computational work. This approximation is inaccurate, especially for systems with high density variation, because work in an N-body simulation is proportional to the particle density, not the particle count. In this paper, we demonstrate that existing techniques do not perform well at scale when particle density is highly non-uniform, and we propose a load balance technique that efficiently assigns load in terms of interactions instead of particles. We use adaptive sampling to create an even work distribution more amenable to partitioning, and to reduce partitioning overhead. We implement and evaluate our approach on a Barnes-Hut algorithm and a large-scale dislocation dynamics application, ParaDiS. Our method achieves up to 26% improvement in overall performance of Barnes-Hut and 18% in ParaDiS. C1 [Pearce, Olga; Amato, Nancy M.] Texas A&M Univ, Dept Comp Sci & Engn, College Stn, TX 77843 USA. [Pearce, Olga; Gamblin, Todd; de Supinski, Bronis R.; Arsenlis, Tom] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA USA. RP Pearce, O (reprint author), Texas A&M Univ, Dept Comp Sci & Engn, College Stn, TX 77843 USA. EM olga@cse.tamu.edu; tgamblin@llnl.gov; bronis@llnl.gov; arsenlis1@llnl.gov; amato@cse.tamu.edu NR 35 TC 1 Z9 1 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2642-1 PY 2014 BP 113 EP 122 DI 10.1145/2597652.2597659 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BF4IE UT WOS:000380995600013 ER PT J AU Si, M Pena, AJ Balaji, P Takagi, M Ishikawa, Y AF Si, Min Pena, Antonio J. Balaji, Pavan Takagi, Masamichi Ishikawa, Yutaka BE Bode, A Gerndt, M Laure, E Stenstrom, P TI MT-MPI: Multithreaded MPI for Many-Core Environments SO PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) LA English DT Proceedings Paper CT 28th ACM International Conference on Supercomputing (ICS) CY JUN 10-13, 2014 CL Munich, GERMANY SP Assoc Comp Machinery, Assoc Comp Machinery SIGARCH DE MPI; OpenMP; hybrid MPI plus OpenMP; threads; many-core; Xeon Phi ID OPENMP AB Many-core architectures, such as the Intel Xeon Phi, provide dozens of cores and hundreds of hardware threads. To utilize such architectures, application programmers are increasingly looking at hybrid programming models, where multiple threads interact with the MPI library (frequently called "MPI+X" models). A common mode of operation for such applications uses multiple threads to parallelize the computation, while one of the threads also issues MPI operations (i.e., MPI FUNNELED or SERIALIZED thread-safety mode). In MPI+OpenMP applications, this is achieved, for example, by placing MPI calls in OpenMP critical sections or outside the OpenMP parallel regions. However, such a model often means that the OpenMP threads are active only during the parallel computation phase and idle during the MPI calls, resulting in wasted computational resources. In this paper, we present MT-MPI, an internally multithreaded MPI implementation that transparently coordinates with the threading runtime system to share idle threads with the application. It is designed in the context of OpenMP and requires modifications to both the MPI implementation and the OpenMP runtime in order to share appropriate information between them. We demonstrate the benefit of such internal parallelism for various aspects of MPI processing, including derived datatype communication, shared-memory communication, and network I/O operations. C1 [Si, Min; Ishikawa, Yutaka] Univ Tokyo, Tokyo, Japan. [Pena, Antonio J.; Balaji, Pavan] Argonne Natl Lab, Argonne, IL 60439 USA. [Takagi, Masamichi] NEC Corp Ltd, Kawasaki, Kanagawa, Japan. RP Si, M (reprint author), Univ Tokyo, Tokyo, Japan. EM msi@il.is.s.u-tokyo.ac.jp; apenya@mcs.anl.gov; balaji@mcs.anl.gov; m-takagi@ab.jp.nec.com; ishikawa@is.s.u-tokyo.ac.jp OI Pena Monferrer, Antonio J./0000-0002-3575-4617 NR 18 TC 5 Z9 5 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2642-1 PY 2014 BP 125 EP 134 DI 10.1145/2597652.2597658 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BF4IE UT WOS:000380995600015 ER PT J AU Roth, PC Meredith, JS AF Roth, Philip C. Meredith, Jeremy S. BE Bode, A Gerndt, M Laure, E Stenstrom, P TI Value Influence Analysis for Message Passing Applications SO PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) LA English DT Proceedings Paper CT 28th ACM International Conference on Supercomputing (ICS) CY JUN 10-13, 2014 CL Munich, GERMANY SP Assoc Comp Machinery, Assoc Comp Machinery SIGARCH DE Value influence; Message Passing Interface (MPI); dynamic instrumentation AB People who develop, debug, and optimize applications are most effective when they understand how those applications function. Value influence tracking is an on-line code analysis approach that provides a data-centric perspective on how a value contributes to later computation. Early work on value influence tracking focused on single-process applications. Building upon this early work, we have designed support for performing value influence tracking analyses with applications that use common MPI point-to-point and collective communication operations. In this paper, we describe the design and implementation of an approach for propagating value influence data between the processes of an MPI application that uses these types of operations. To demonstrate and evaluate our approach, we present case studies of using our value influence tracking implementation with the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and the Model for Prediction Across Scales (MPAS) ocean climate model running on the Keeneland Initial Delivery System (KIDS) Linux cluster. We also discuss how to extend our approach to support MPI one-sided operations and non-blocking collective communication operations. C1 [Roth, Philip C.; Meredith, Jeremy S.] Oak Ridge Natl Lab, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Roth, PC (reprint author), Oak Ridge Natl Lab, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM rothpc@ornl.gov; jsmeredith@ornl.gov NR 19 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2642-1 PY 2014 BP 145 EP 154 DI 10.1145/2597652.2597666 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BF4IE UT WOS:000380995600017 ER PT J AU You, Y Song, SL Kerbyson, DJ AF You, Yang Song, Shuaiwen Leon Kerbyson, Darren J. BE Bode, A Gerndt, M Laure, E Stenstrom, P TI An Adaptive Cross-Architecture Combination Method for Graph Traversal SO PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) LA English DT Proceedings Paper CT 28th ACM International Conference on Supercomputing (ICS) CY JUN 10-13, 2014 CL Munich, GERMANY SP Assoc Comp Machinery, Assoc Comp Machinery SIGARCH AB Breadth-First Search (BFS) is widely used in many real world applications including computational biology, social networks, and electronic design automation. The combination method, using both top-down and bottom-up techniques, is the most effective BFS approach. However, current combination methods rely on trial-and-error and exhaustive search to locate the optimal switching point, which may cause significant runtime overhead. To solve this problem, we design an adaptive method based on regression analysis to predict an optimal switching point for the combination method at runtime within less than 0.1% of the BF-S execution time. Additionally, in order to fully utilize the heterogeneous resources offered by current HPC systems and further improve the performance of the combination method, we propose methodologies to allocate the most suitable computation phases of BFS to the corresponding processing components (i.e. CPUs and accelerators) in the system based on graph information and architecture details. Our adaptive method can predict the switching point with high accuracy (compared with exhaustive search) and achieve up to 695X and 8X speedup over the worst and average case. Our cross-architecture adaptive combination method also improves performance dramatically over the cases conducted on a single architecture. C1 [You, Yang] Tsinghua Univ, Beijing, Peoples R China. [Song, Shuaiwen Leon; Kerbyson, Darren J.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP You, Y (reprint author), Tsinghua Univ, Beijing, Peoples R China. EM you-y12@mails.tsinghua.edu.cn; Shuaiwen.Song@pnnl.gov; Darren.Kerbyson@pnnl.gov NR 1 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2642-1 PY 2014 BP 169 EP 169 DI 10.1145/2597652.2600110 PG 1 WC Computer Science, Theory & Methods SC Computer Science GA BF4IE UT WOS:000380995600021 ER PT J AU Lu, Y Chen, Y Latham, R Zhuang, Y AF Lu, Yin Chen, Yong Latham, Rob Zhuang, Yu BE Bode, A Gerndt, M Laure, E Stenstrom, P TI Revealing Applications' Access Pattern in Collective I/O for Cache Management SO PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) LA English DT Proceedings Paper CT 28th ACM International Conference on Supercomputing (ICS) CY JUN 10-13, 2014 CL Munich, GERMANY SP Assoc Comp Machinery, Assoc Comp Machinery SIGARCH DE Parallel I/O; collective I/O; high performance computing AB Collective I/O is a critical I/O strategy on high-performance parallel computing systems that enables programmers to reveal parallel processes' I/O accesses collectively and makes possible for the parallel I/O middleware to carry out I/O requests in a highly efficient manner. Collective I/O has been proven as a core parallel I/O optimization technique. However, due to the collective nature of collective I/O, the access pattern of each individual process can be lost after I/O requests are aggregated at the parallel I/O middleware layer. In this study, we analyze this issue in detail. We show that such lost access pattern can have a negative impact on underlying caching algorithms' view of locality and can result in many unnecessary cache misses in low level buffer caches and additional disk accesses. To address this issue, we propose to reveal unseen access patterns-performing collective I/O but more importantly retaining applications' access patterns to underlying cache management. With such an idea, we have prototyped a new collective I/O aware cache management methodology. The evaluations with various cache management algorithms have confirmed clear advantages over the existing collective I/O strategy that throws away applications' original access pattern. C1 [Lu, Yin; Chen, Yong; Zhuang, Yu] Texas Tech Univ, Comp Sci, Lubbock, TX 79409 USA. [Latham, Rob] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Lu, Y (reprint author), Texas Tech Univ, Comp Sci, Lubbock, TX 79409 USA. EM yin.lu@ttu.edu; yong.chen@ttu.edu; robl@mcs.anl.gov; yu.zhuang@ttu.edu NR 24 TC 2 Z9 2 U1 1 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2642-1 PY 2014 BP 181 EP 190 DI 10.1145/2597652.2597686 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BF4IE UT WOS:000380995600027 ER PT J AU Tallent, NR Hoisie, A AF Tallent, Nathan R. Hoisie, Adolfy BE Bode, A Gerndt, M Laure, E Stenstrom, P TI Palm: Easing the Burden of Analytical Performance Modeling SO PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) LA English DT Proceedings Paper CT 28th ACM International Conference on Supercomputing (ICS) CY JUN 10-13, 2014 CL Munich, GERMANY SP Assoc Comp Machinery, Assoc Comp Machinery SIGARCH DE application modeling; model development; annotation languages; Palm ID PARALLEL PROGRAMS; SYSTEMS; DESIGN AB Analytical (predictive) application performance models are critical for diagnosing performance-limiting resources, optimizing systems, and designing machines. Creating models, however, is difficult because they must be both accurate and concise. To ease the burden of performance modeling, we developed Palm (Performance and Architecture Lab Modeling tool), a modeling tool that combines top-down (human provided) semantic insight with bottom-up static and dynamic analysis. First, Palm provides a source code modeling annotation language for abstracting or expressing complexity. Second, Palm generates hierarchical models according to well-defined rules. Since a model's hierarchy is defined by static and dynamic source code structure, there is a link between a program's organization and its model. By coordinating models and source code, Palm's models are 'firstclass' and reproducible. Third, Palm incorporates measurements to focus attention, represent constant behavior, and validate models. We discuss generating models for three different applications. C1 [Tallent, Nathan R.; Hoisie, Adolfy] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Tallent, NR (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. EM tallent@pnnl.gov; Adolfy.Hoisie@pnnl.gov NR 22 TC 8 Z9 8 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2642-1 PY 2014 BP 221 EP 230 DI 10.1145/2597652.2597683 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BF4IE UT WOS:000380995600031 ER PT J AU Snir, M AF Snir, Marc BE Bode, A Gerndt, M Laure, E Stenstrom, P TI The Future of Supercomputing SO PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) LA English DT Proceedings Paper CT 28th ACM International Conference on Supercomputing (ICS) CY JUN 10-13, 2014 CL Munich, GERMANY SP Assoc Comp Machinery, Assoc Comp Machinery SIGARCH DE Exascale; High-Performance Computing AB For over two decades, supercomputing evolved in a relatively straightforward manner: Supercomputers were assembled out of commodity microprocessors and leveraged their exponential increase in performance, due to Moore's Law. This simple model has been under stress since clock speed stopped growing a decade ago: Increased performance has required a commensurate increase in the number of concurrent threads. The evolution of device technology is likely to be even less favorable in the coming decade: The growth in CMOS performance is nearing its end, and no alternative technology is ready to replace CMOS. The continued shrinking of device size requires increasingly expensive technologies, and may not lead to improvements in cost/performance ratio; at which point, it ceases to make sense for commodity technology. These obstacles need not imply stagnation in supercomputer performance. In the long run, new computing models will come to the rescue. In the short run, more exotic, non-commodity device technologies can provide two or more orders of magnitude improvements in performance. Finally, better hardware and software architectures can significantly increase the efficiency of scientific computing platforms. While continued progress is possible, it will require a significant international research effort and major investments in future large-scale "computational instruments". C1 [Snir, Marc] Argonne Natl Lab, 9700 South Cass Ave, Argonne, IL 60439 USA. RP Snir, M (reprint author), Argonne Natl Lab, 9700 South Cass Ave, Argonne, IL 60439 USA. EM snir@mcs.anl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2642-1 PY 2014 BP 261 EP 262 DI 10.1145/2597652.2616585 PG 2 WC Computer Science, Theory & Methods SC Computer Science GA BF4IE UT WOS:000380995600035 ER PT J AU Michelogiannakis, G Williams, A Williams, S Shalf, J AF Michelogiannakis, George Williams, Alexander Williams, Samuel Shalf, John BE Bode, A Gerndt, M Laure, E Stenstrom, P TI Collective Memory Transfers for Multi-Core Chips SO PROCEEDINGS OF THE 28TH ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING, (ICS'14) LA English DT Proceedings Paper CT 28th ACM International Conference on Supercomputing (ICS) CY JUN 10-13, 2014 CL Munich, GERMANY SP Assoc Comp Machinery, Assoc Comp Machinery SIGARCH AB Future performance improvements for microprocessors have shifted from clock frequency scaling towards increases in on chip parallelism. Performance improvements for a wide variety of parallel applications require domain decomposition of data arrays from a contiguous arrangement in memory to a tiled layout for on-chip L1 caches and scratchpads. However, DRAM performance suffers under the non-streaming access patterns generated by many independent cores. In this paper, we propose collective memory scheduling (CMS) that uses simple software and inexpensive hardware to identify collective transfers and guarantee that loads and stores arrive in memory address order to the memory controller. CMS actively takes charge of collective transfers and pushes or pulls data to or from the on-chip processors according to memory address order. CMS reduces application execution time by up to 55% (20% average) compared to a state-of-the-art architecture where each processor reads and writes its data independently. CMS also reduces DRAM read power by 2.2x and write power by 50%. C1 [Michelogiannakis, George; Williams, Alexander; Williams, Samuel; Shalf, John] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Michelogiannakis, G (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mihelog@lbl.gov; awilliams@lbl.gov; swwilliams@lbl.gov; jshalf@lbl.gov NR 47 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2642-1 PY 2014 BP 343 EP 352 DI 10.1145/2597652.2597654 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BF4IE UT WOS:000380995600044 ER PT J AU Dosanjh, MGF Bridges, PG Kelly, SM Laros, JH Vaughan, CT AF Dosanjh, Matthew G. F. Bridges, Patrick G. Kelly, Suzanne M. Laros, James H., III Vaughan, Courtenay T. GP ACM TI An Evaluation of BitTorrent's Performance In HPC Environments SO Proceedings of the 4th International Workshop on Runtime and Operating Systems for Supercomputers, ROSS 2014 LA English DT Proceedings Paper CT 4th International Workshop on Runtime and Operating Systems for Supercomputers (ROSS) CY JUN 10, 2014 CL Munich, GERMANY AB A number of novel decentralized systems have recently been developed to address challenges of scale in large distributed systems. The suitability of such systems for meeting the challenges of scale in high performance computing (HPC) systems is unclear, however. In this paper, we begin to answer this question by examining the suitability of the popular BitTorrent protocol to handle dynamic shared library distribution in HPC systems. To that end, we describe the architecture and implementation of a system that uses Bit Torrent to distribute shared libraries in HPC systems, evaluate and optimize BitTorrent protocol usage for the HPC environment, and measure the performance of the resulting system. Our results demonstrate the potential viability of BitTorrent-style protocols in HPC systems, but also highlight the challenges of these protocols. In particular, our results show that the protocol mechanisms meant to enforce fairness in a distributed computing environment can have a significant impact on system performance if not properly taken into account in system design and implementation. C1 [Dosanjh, Matthew G. F.; Bridges, Patrick G.] Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. [Kelly, Suzanne M.; Laros, James H., III; Vaughan, Courtenay T.] Sandia Natl Labs, Scalable Syst Software Dept, Albuquerque, NM 87185 USA. RP Dosanjh, MGF (reprint author), Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. EM mdosanjh@cs.unm.edu; bridges@cs.unm.edu; smkelly@sandia.gov; jhlaros@sandia.gov; ctvaugh@sandia.gov NR 22 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2950-7 PY 2014 DI 10.1145/2612262.2612269 PG 8 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BF4HB UT WOS:000380913400008 ER PT J AU Wickramasinghe, US Bronevetsky, G Lumsdaine, A Friedley, A AF Wickramasinghe, U. S. Bronevetsky, Greg Lumsdaine, Andrew Friedley, Andrew GP ACM TI Hybrid MPI - A Case Study on the Xeon Phi Platform SO Proceedings of the 4th International Workshop on Runtime and Operating Systems for Supercomputers, ROSS 2014 LA English DT Proceedings Paper CT 4th International Workshop on Runtime and Operating Systems for Supercomputers (ROSS) CY JUN 10, 2014 CL Munich, GERMANY AB New many-core architectures such as Intel Xeon Phi offer applications significantly higher power efficiency than conventional multi-core processors. However, while this processor's compute and communication performance is an excellent match for MPI applications, leveraging its potential in practice has proven difficult because of the mismatch between the MPI distributed memory model and this processor's shared memory communication hardware. Hybrid MPI is a high performance portable implementation of MPI designed for communication over shared memory hardware. It shares the heaps of all the MPI processes that run on the same node, enabling them to communicate directly without unnecessary copies. This paper describes our work to port Hybrid MPI to the Xeon Phi platform, demonstrating that Hybrid MPI offers better performance than the native Intel MPI implementation in terms of memory bandwidth, latency and benchmark performance. C1 [Wickramasinghe, U. S.; Lumsdaine, Andrew] Indiana Univ, Bloomington, IN 47405 USA. [Bronevetsky, Greg] Lawrence Livermore Natl Lab, Livermore, CA USA. [Friedley, Andrew] Intel Corp, Santa Clara, CA 95051 USA. RP Wickramasinghe, US (reprint author), Indiana Univ, Bloomington, IN 47405 USA. NR 14 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2950-7 PY 2014 DI 10.1145/2612262.2612267 PG 8 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BF4HB UT WOS:000380913400006 ER PT B AU Bhushan, S Walters, DK Merzari, E Obabko, A AF Bhushan, S. Walters, D. K. Merzari, E. Obabko, A. GP ASME TI IMPLEMENTATION AND VALIDATION OF A HYBRID RANS/LES MODEL IN THE SPECTRAL ELEMENT SOLVER NEK5000 SO PROCEEDINGS OF THE ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1A: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div AB A dynamic hybrid RANS/LES (DHRL) model has been implemented in the spectral-element solver Nek5000 to reduce computational expense for high Reynolds number applications. The model couples a k-epsilon URANS model and the dynamic Smagorinsky model for LES. The model is validated for plane channel flow at Re-tau = 590 using DNS data, and compared with LES predictions. The model is then applied for the ANL-MAX case, which is a test case relevant to nuclear reactor cooling flow simulations. For the channel flow case, DHRL predictions were similar to LES on finer grids, but on coarser grids, the former predicted velocity profiles closer to DNS than the latter in the log-layer region. The improved prediction by the DHRL model was identified to be due to a 30% additional contribution of RANS stresses. For the ANL-MAX case, the URANS simulation predicts quasi-steady flow, with dominant large-scale turbulent structures, whereas LES predicts small-scale turbulent structures comparable with results in rapid mixing of cool and warm flow jets. DHRL simulations predict LES mode in the inlet jet region, and URANS mode elsewhere, as expected. C1 [Bhushan, S.; Walters, D. K.] Mississippi State Univ, Starkville, MS 39762 USA. [Merzari, E.; Obabko, A.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Bhushan, S (reprint author), Mississippi State Univ, Starkville, MS 39762 USA. NR 11 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4621-6 PY 2014 AR V01AT09A014 PG 8 WC Engineering, Mechanical SC Engineering GA BF0WK UT WOS:000379634600084 ER PT B AU Kraus, AR Merzari, E Fischer, PF AF Kraus, Adam R. Merzari, Elia Fischer, Paul F. GP ASME TI TURBULENT FLOW-FIELD COMPARISONS OF RANS AND LES FOR A TWISTED PIN LATTICE GEOMETRY AT LOW REYNOLDS NUMBER SO PROCEEDINGS OF THE ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1A: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div ID FUEL ASSEMBLIES; METHODOLOGY; SIMULATION AB The accurate evaluation of fuel and cladding peak temperatures is of prime importance for nuclear reactor design and safety. The Global Threat Reduction Initiative reactor conversion program often encounters exotic flow geometries in its mission to aid in converting reactors from high-enriched to low-enriched fuel. These geometries can pose modeling challenges. Analysis presented here concerns a reactor with twisted fuel pins that are in direct contact with each other in a large, hexagonal-pitch lattice. The Reynolds number for a unit cell is only 7500. Such flow conditions can present difficulties for standard approaches based on Reynolds-Averaged NavierStokes (RANS). Moreover there are no available experimental data and a small expected margin to the limiting cladding surface temperature. Given some of the geometric uncertainties, reducing the turbulence model uncertainty is thus important for meaningful calculations. A computational fluid dynamics model of a full-length unit cell was built using the commercial code STAR-CCM+. Multiple RANS models were employed, which gave disparate results. To provide higher-fidelity data for comparison, given the lack of experimental data, a periodic single-helical-pitch simulation with a Large Eddy Simulation (LES) approach was performed using Nek5000, a massively parallel spectral-element code. This was compared with single pitch RANS simulations from STAR-CCM+. Stream-wise velocity profile shape was generally well7represented by RANS. Cross-velocities and peak turbulent kinetic energy (TKE) were underestimated for most of the turbulence models with respeCt to LES, while mean flow TKE was universally underestimated. The overall results suggest that the Realizable k-epsilon Two-Layer model, which was the best at reproducing the LES TKE distribution, would likely be the most appropriate turbulence model choice for this flow. Future work includes full conjugate heat transfer simulations of 1/6 sectors of fuel assemblies featuring this type of pin lattice. C1 [Kraus, Adam R.; Merzari, Elia] Argonne Natl Lab, Nucl Engn Div, Lemont, IL 60439 USA. [Fischer, Paul F.] Argonne Natl Lab, Math & Comp Sci Div, Lemont, IL USA. RP Kraus, AR (reprint author), Argonne Natl Lab, Nucl Engn Div, Lemont, IL 60439 USA. NR 10 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4621-6 PY 2014 AR V01AT03A025 PG 8 WC Engineering, Mechanical SC Engineering GA BF0WK UT WOS:000379634600040 ER PT B AU Yu, YQ AF Yu, Yiqi GP ASME TI A COMPUTATIONAL FLUID STUDY OF FALLING FILM BEHAVIOR ON FLAT PLATE SO PROCEEDINGS OF THE ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1A: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div ID WAVY LIQUID-FILM; HEAT-TRANSFER; NUMERICAL-SIMULATION; VERTICAL PLATE; FLOW DYNAMICS; MASS-TRANSFER; THIN-FILMS; HYDRODYNAMICS; WALL AB In this paper, the 3D numerical simulations on falling film behaviour on flat plate with and without interfacial gas-liquid shear stress are carried out. The film thickness and velocity distribution of water film flow with different Reynolds numbers are studied. The results agree well with the experimental and theoretical data. The influence of the surface wave on film velocity is revealed. The calculations also investigate the effect of gas-liquid shear stress on solitary waves of falling film. C1 [Yu, Yiqi] Argonne Natl Lab, Nucl Engn Div, 9700 South Cass Ave, Lemont, IL 60439 USA. RP Yu, YQ (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 South Cass Ave, Lemont, IL 60439 USA. EM yyu@anl.gov NR 23 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4621-6 PY 2014 AR V01AT07A002 PG 10 WC Engineering, Mechanical SC Engineering GA BF0WK UT WOS:000379634600063 ER PT B AU Crandall, D McIntyre, D Jarvis, K Lapeer, R Tennant, B AF Crandall, Dustin McIntyre, Dustin Jarvis, Karl Lapeer, Roger Tennant, Bryan GP ASME TI DYNAMIC IMAGING OF MULTIPHASE FLOWS IN ROCK USING COMPUTED TOMOGRAPHY SO PROCEEDINGS OF THE ASME FLUIDS ENGINEERING DIVISION SUMMER MEETING - 2014, VOL 1B: SYMPOSIA LA English DT Proceedings Paper CT 4th ASME Joint US-European Fluids Engineering Diviison Summer Meeting CY AUG 03-07, 2014 CL Chicago, IL SP ASME, Fluids Engn Div ID POROUS-MEDIA; NETWORK MODEL; FLUID AB Understanding the mechanisms for multiphase flow within the subsurface is critical to the planning and execution of a multitude of energy related projects including, enhanced oil recovery, geologic carbon sequestration, geothermal energy extraction, and gas production from tight shale reservoirs. This paper provides a brief review of the use of X-ray computed tomography (CT) scanning to visualize multiphase flows within geologically relevant rock cores, and then provides recent examples of multiphase flow at the National Energy Technology Laboratory. With modern CT scanning techniques we show how it is possible to visualize dynamic flooding of cores with fluids, as well as calculate changes in the saturation within the porous matrix from image analysis of the scans. C1 [Crandall, Dustin; McIntyre, Dustin] Natl Energy Technol Lab, Predict Geosci Div, Morgantown, WV USA. [Jarvis, Karl; Lapeer, Roger; Tennant, Bryan] URS, Morgantown, WV USA. RP Crandall, D (reprint author), Natl Energy Technol Lab, Predict Geosci Div, Morgantown, WV USA. EM Dustin.Crandall@netl.doe.gov; Dustin.McIntyre@netl.doe.gov; Karl.Jarvis@netl.doe.gov; Roger.Lapeer@netl.doe.gov; Bryan.Tennant@netl.doe.gov NR 23 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4622-3 PY 2014 AR V01BT22A005 PG 7 WC Engineering, Mechanical SC Engineering GA BF0WL UT WOS:000379635100090 ER PT B AU Park, SI Rosen, DW Choi, SK Duty, CE AF Park, Sang-In Rosen, David W. Choi, Seung-kyum Duty, Chad E. GP ASME TI EFFECTIVE MECHANICAL PROPERTIES OF LATTICE MATERIAL FABRICATED BY MATERIAL EXTRUSION ADDITIVE MANUFACTURING SO PROCEEDINGS OF THE ASME INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE, 2014, VOL 1A LA English DT Proceedings Paper CT ASME Design Engineering Technical Conferences and Computers and Information in Engineering Conference (DETC) CY AUG 17-20, 2014 CL Buffalo, NY SP ASME ID CELLULAR MATERIALS; SOLIDS AB In this paper, a two-step homogenization method is proposed and implemented for evaluating effective mechanical properties of lattice structured material fabricated by the material extrusion additive manufacturing process. In order to consider the. characteristics of the additive manufacturing process in estimation procedures, the levels of scale for homogenization are divided into three stages - the levels of layer deposition, structural element, and lattice structure. The method consists of two transformations among stages. In the first step, the transformation between layer deposition and structural element levels is proposed to find the geometrical and material effective properties of structural elements in the lattice structure. In the second step, the method to estimate effective mechanical properties of lattice material is presented, which uses a unit cell and is based on the discretized homogenization method for periodic structure. The method is implemented for cubic lattice structure and compared to experimental results for validation purposes. C1 [Park, Sang-In; Rosen, David W.; Choi, Seung-kyum] Georgia Inst Technol, GW Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Duty, Chad E.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Park, SI (reprint author), Georgia Inst Technol, GW Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. EM david.rosen@me.gatech.edu NR 11 TC 0 Z9 0 U1 2 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4628-5 PY 2014 AR V01AT02A048 PG 9 WC Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA BF0ZL UT WOS:000379987000048 ER PT B AU Zhang, J Florita, A Hodge, BM Freedman, J AF Zhang, Jie Florita, Anthony Hodge, Bri-Mathias Freedman, Jeffrey GP ASME TI RAMP FORECASTING PERFORMANCE FROM IMPROVED SHORT-TERM WIND POWER FORECASTING SO PROCEEDINGS OF THE ASME INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE, 2014, VOL 2A LA English DT Proceedings Paper CT ASME Design Engineering Technical Conferences and Computers and Information in Engineering Conference (DETC) CY AUG 17-20, 2014 CL Buffalo, NY SP ASME DE Wind forecasting; grid integration; ramp forecasting; performance diagram; swinging door algorithm ID NONHYDROSTATIC ATMOSPHERIC SIMULATION; PREDICTION SYSTEM ARPS; DISTRIBUTION MODEL AB The variable and uncertain nature of wind generation presents a new concern to power system operators. One of the biggest concerns associated with integrating a large amount of wind power into the grid is the ability to handle large ramps in wind power output. Large ramps can significantly influence system economics and reliability, on which power system operators place primary emphasis. The Wind Forecasting Improvement Project (WFIP) was performed to improve wind power forecasts and determine the value of these improvements to grid operators. This paper evaluates the performance of improved short-term wind power ramp forecasting. The study is performed for the Electric Reliability Council of Texas (ERCOT) by comparing the experimental WFIP forecast to the current short-term wind power forecast (STWPF). Four types of significant wind power ramps are employed in the study; these are based on the power change magnitude, direction, and duration. The swinging door algorithm is adopted to extract ramp events from actual and forecasted wind power time series. The results show that the experimental short-term wind power forecasts improve the accuracy of the wind power ramp forecasting, especially during the summer C1 [Zhang, Jie; Florita, Anthony; Hodge, Bri-Mathias] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Freedman, Jeffrey] AWS Truepower, Albany, NY 12205 USA. RP Zhang, J (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM jie.zhang@nrel.gov; anthony.florita@nrel.gov; bri.mathias.hodge@nrel.gov; jfreedman@awstruepower.com NR 30 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4631-5 PY 2014 AR VO2ATO3A022 PG 12 WC Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA BF0ZN UT WOS:000379987200022 ER PT B AU Yin, JC Yu, SF Wang, SY Lu, M Zuo, L AF Yin, Jiancheng Yu, Shifeng Wang, Shuyu Lu, Ming Zuo, Lei GP ASME TI Design and Fabrication of Flexible Differential Scanning Nanocalorimeter SO PROCEEDINGS OF THE ASME INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE, 2014, VOL 4 LA English DT Proceedings Paper CT ASME Design Engineering Technical Conferences and Computers and Information in Engineering Conference (DETC) CY AUG 17-20, 2014 CL Buffalo, NY SP ASME ID CALORIMETRY; THERMODYNAMICS; RECOGNITION; SILICON AB This paper discussed about the design and fabrication process of flexible MEMS based Differential Scanning Calorimeter that greatly enhanced the detection limit and accuracy that allowed for evaluation of molecular interaction. The design utilized polyimide to significantly reduce thermal conduction by hundreds of times than traditional used substrate material. Preliminary fabrication result had successfully demonstrated the polyimide membrane can be firmly adhesive on the wafer during fabrication and easily peeled off from the rigid substrate after the process. Temperature sensing material, VOX was prepared by DC magnetron sputter of sintered vanadium target with 02 flow during the sputtering. Deposition conditions such as the 02 flow rate's influence on the electrical resistivity and temperature coefficient resistance was investigated. The results fully showed that the material prepared by the method has satisfactory performance to be used as thermistor in the calorimeter. Also, research about thermal analysis of the system further guided and confirmed the feasibility of the design. C1 [Yin, Jiancheng; Yu, Shifeng; Wang, Shuyu; Zuo, Lei] SUNY Stony Brook, Dept Mech Engn, Stony Brook, NY 11794 USA. [Lu, Ming] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Yin, JC (reprint author), SUNY Stony Brook, Dept Mech Engn, Stony Brook, NY 11794 USA. EM lei.zuo@stonybrook.edu RI Zuo, Lei/B-3122-2017 NR 17 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4635-3 PY 2014 AR V004T09A002 PG 6 WC Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA BF0ZS UT WOS:000379987700062 ER PT B AU Zhang, GT Chen, V Xu, WH Galos, R Zhou, L Shi, Y AF Zhang, Guitao Chen, Vincent Xu, Weihe Galos, Richard Zhou, Liang Shi, Yong GP ASME TI PIEZOELECTRIC LEAF GENERATOR FOR WIND ENERGY HARVEST SO PROCEEDINGS OF THE ASME INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE, 2014, VOL 4 LA English DT Proceedings Paper CT ASME Design Engineering Technical Conferences and Computers and Information in Engineering Conference (DETC) CY AUG 17-20, 2014 CL Buffalo, NY SP ASME ID NANOGENERATOR; NANOFIBERS; CONVERSION AB In this paper, a piezoelectric leaf generator for harvesting wind energy was proposed, fabricated and tested. The leaf generator had a bimorph cantilever structure, with Su-8 as the protective supporting layer, and aligned lead zirconate titanate (PZT) nanofibers as the active layer. Interdigitated electrodes were sputtered on top of the aligned PZT nanofibers to collect the generated charge. After fabrication of the leaf generator, it was tested in a wind tunnel with different wind incident angles and wind speeds. The maximum voltage output of the leaf generator was 820 mV when the wind speed was 17 m/s. The developed leaf generator does not need further bonding to the vibration source, which make it much easier for real applications. In addition, benefited from unique material properties of the PZT nanofiber such as flexible, robust, and high piezoelectric coupling ability, the leaf generator is promising for a high efficiency wind energy harvest. C1 [Zhang, Guitao; Galos, Richard; Zhou, Liang; Shi, Yong] Stevens Inst Technol, Hoboken, NJ 07030 USA. [Chen, Vincent] High Technol High Sch, Lincroft, NJ USA. [Xu, Weihe] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Shi, Y (reprint author), Stevens Inst Technol, Hoboken, NJ 07030 USA. EM yong.shi@stevens.edu NR 11 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4635-3 PY 2014 AR V004T09A031 PG 4 WC Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA BF0ZS UT WOS:000379987700091 ER PT B AU Guo, Y Bergua, R van Dam, J Jove, J Campbell, J AF Guo, Yi Bergua, Roger van Dam, Jeroen Jove, Jordi Campbell, Jon GP ASME TI IMPROVING WIND TURBINE DRIVETRAIN RELIABILITY USING A COMBINED EXPERIMENTAL, COMPUTATIONAL, AND ANALYTICAL APPROACH SO PROCEEDINGS OF THE ASME INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE, 2014, VOL 7 LA English DT Proceedings Paper CT ASME Design Engineering Technical Conferences and Computers and Information in Engineering Conference (DETC) CY AUG 17-20, 2014 CL Buffalo, NY SP ASME AB Nontorque loads induced by the wind turbine rotor overhang weight and aerodynamic forces can greatly affect drivetrain loads and responses. If not addressed properly, these loads can result in a decrease in gearbox component life. This work uses analytical modeling, computational modeling, and experimental data to evaluate a unique drivetrain design that minimizes the effects of nontorque loads on gearbox reliability: the Pure Torque (R) drivetrain developed by Alstom. The drivetrain has a hub-support configuration that transmits nontorque loads directly into the tower rather than through the gearbox as in other design approaches. An analytical model of Alstom's Pure Torque drivetrain provides insight into the relationships among turbine component weights, aerodynamic forces, and the resulting drivetrain loads. Main shaft bending loads are orders of magnitude lower than the rated torque and are hardly affected by wind conditions and turbine operations. C1 [Guo, Yi; van Dam, Jeroen] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Bergua, Roger; Jove, Jordi] ALSTOM Wind SLU, Barcelona 08005, Spain. [Campbell, Jon] ALSTOM Wind, Richmond, VA 23225 USA. RP Guo, Y (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM yi.guo@nrel.gov NR 19 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4640-7 PY 2014 AR V007T05A004 PG 11 WC Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA BF0ZZ UT WOS:000380080200004 ER PT B AU Han, ZH Shah, VN Liu, YY AF Han, Zenghu Shah, Vikram N. Liu, Yung Y. BE Han, Z Bezdikian, G Hensel, SJ TI Extending Periodic Leakage Rate Testing of 9977 Packages with Elastomeric O-rings SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 7 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB According to ANSI N14.5, the periodic leakage rate testing of Type B radioactive material transportation packages is performed within 12 months prior to each shipment. The purpose of performing periodic leakage rate testing is to confirm that packages built to an approved design can perform their containment function as required after a period of use. However, certain transportation packages, e.g., Model 9975 and 9977 Type B packages, have been used for interim storage for a period > 12 months, and it is desirable to extend the periodic leakage rate testing interval to reduce personnel radiation exposure and cost. Long-term leak performance tests on O-ring test fixtures have been conducted at 200 degrees F (366K) and higher temperatures since 2004 for the purpose of interim storage of 9975 packages. The test data are adopted and evaluated in this paper by using the Arrhenius function and the Weibull statistics to establish the basis for extending the periodic leakage rate testing interval. The results show that the testing interval can be extended to 5 and 2 years for Model 9977 packages with Viton (R) GLT and GLT-S elastomeric O-rings (Parker Seals V0835-75 and VM835-75), respectively, if the O-ring service temperature is kept below 200 degrees F (366K) and verified with continuous temperature monitoring. C1 [Han, Zenghu; Shah, Vikram N.; Liu, Yung Y.] Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Han, ZH (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 15 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4606-3 PY 2014 AR V007T07A027 PG 6 WC Engineering, Mechanical SC Engineering GA BE6DX UT WOS:000373970700027 ER PT B AU Laurinat, JE Askew, NM Hensel, SJ Gupta, NK AF Laurinat, James E. Askew, Neal M. Hensel, Steve J. Gupta, Narendra K. BE Han, Z Bezdikian, G Hensel, SJ TI ANALYSIS OF THE PRESSURE TRANSIENT AND BURST PRESSURE FOR EXPOSURE OF THE 9975 PRIMARY CONTAINMENT VESSEL TO FIRE SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 7 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB Bare shipping package containment vessels can be utilized to stage plutonium oxide at the Savannah River Site. Pressurization and subsequent release could occur due to a hypothetical facility fire. Pressurization due to adsorbed moisture on the plutonium oxide and plastic packaging materials could result in rupture of the containment vessel. The containment vessel was evaluated to determine rupture pressure when subjected to the fire conditions. The rupture pressure is compared with pressures developed due to radiolytic gas generation. C1 [Laurinat, James E.; Askew, Neal M.; Hensel, Steve J.; Gupta, Narendra K.] Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. RP Laurinat, JE (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. EM james.laurinat@srnl.doe.gov; neal.askew@srnl.doe.gov; steve.hensel@srnl.doe.gov; shashinick@gmail.com NR 10 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4606-3 PY 2014 AR V007T07A031 PG 7 WC Engineering, Mechanical SC Engineering GA BE6DX UT WOS:000373970700031 ER PT B AU Laurinat, JE Kesterson, MR Hensel, SJ AF Laurinat, James E. Kesterson, Matthew R. Hensel, Steve J. BE Han, Z Bezdikian, G Hensel, SJ TI ANALYSIS OF THE RATE OF ADSORPTION OF MOISTURE ONTO PLUTONIUM OXIDE POWDERS SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 7 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div ID FLOW AB Rates of adsorption of moisture onto plutonium oxide powders exposed to air are modeled. The moisture contents of these powders must be limited to minimize the radiolytic generation of flammable hydrogen gas when the plutonium oxide subsequently is stored in containment vessels. The pressure in the vessels is related to the amount of moisture adsorbed. Moisture adsorption rates are modeled for powders in two different containers used by the Savannah River Site (SRS) HB-Line facility, a B vial and a product can. The adsorption models examine the effects of the powder layer fill height, gas mixing conditions above the powder layer, and ambient relative humidity. Moisture distribution profiles are calculated to enable the evaluation of the effect of sampling location on the measured moisture content. The adsorption models are applied using the COMSOL Multiphysics (R) finite element code. The COMSOL (R) models couple moisture diffusion with thermal conduction and radiation. The models incorporate an equilibrium adsorption isotherm and a detailed model for combined radiation and conduction heat transfer in the powder, both developed at Los Alamos National Laboratory. The COMSOL (R) adsorption rate calculations are successfully benchmarked using an analytical, one-dimensional ash and pore diffusion model. C1 [Laurinat, James E.; Kesterson, Matthew R.; Hensel, Steve J.] Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. RP Laurinat, JE (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. EM james.laurinat@srnl.doe.gov; nnatthew.kesterson@srnl.doe.gov; steve.hensel@srnl.doe.gov NR 17 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4606-3 PY 2014 AR V007T07A024 PG 10 WC Engineering, Mechanical SC Engineering GA BE6DX UT WOS:000373970700024 ER PT B AU Laurinat, JE Hensel, SJ AF Laurinat, James E. Hensel, Steve J. BE Han, Z Bezdikian, G Hensel, SJ TI MOISTURE ADSORPTION CONSIDERATIONS FOR PACKAGING PLUTONIUM OXIDE SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 7 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB Compliance with DOE-STD-3013, Stabilization, Packaging, and Storage of Plutonium-Bearing Materials, requires plutonium oxide to be stabilized at high temperatures such that the material is non-reactive and has less than 0.5% wt. moisture adsorption [1]. Since plutonium oxide is known to readily adsorb moisture, compliance with the standard requires a sample of oxide material to be measured for moisture adsorption. The measurement is typically performed using thermogravimetric analysis (TGA). The sample must be representative of the actual oxide material in order for the TGA measurement to be valid. Obtaining a representative sample from an oxide powder container may be done using a core sampler or a grab sample method that accounts for potential spatial distribution of the oxides. A further complication with moisture sampling is that the plutonium oxide typically continues to adsorb moisture from the glove box ambient air for many hours or even days until equilibrium is reached. In typical oxide material handling operations, the material, both product and sample, is canned and bagged out prior to reaching a moisture level in equilibrium with the ambient relative humidity. In fact, given the strict moisture requirement for DOE-STD-3013 compliance, it is highly undesirable to allow for equilibrium moisture adsorption to be achieved. Given the dynamic nature of moisture adsorption, a technical basis for obtaining a representative sample is important for DOE-STD 3013 compliance. The technical basis not only includes how the sample is obtained, but more importantly, must account for all handling once the sample is physically separated from the product. This paper provides an analytical basis for moisture adsorption to define handling controls that assures a representative oxide sample is obtained. C1 [Laurinat, James E.] Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. [Hensel, Steve J.] Savannah River Nucl Solut, Aiken, SC 29808 USA. RP Laurinat, JE (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. EM james.laurinat@srnl.doe.gov; steve.hensel@srnl.doe.bov NR 2 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4606-3 PY 2014 AR V007T07A023 PG 4 WC Engineering, Mechanical SC Engineering GA BE6DX UT WOS:000373970700023 ER PT B AU Yan, Y Laskar, A Cheng, Z Menq, F Tang, Y Mo, YL Shi, Z AF Yan, Y. Laskar, A. Cheng, Z. Menq, F. Tang, Y. Mo, Y. L. Shi, Z. BE Tsai, CS TI PERIODIC MATERIALS-BASED 3D SEISMIC BASE ISOLATORS FOR NUCLEAR POWER PLANTS SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE - 2014, VOL 8 LA English DT Proceedings Paper CT ASME 2014 Pressure Vessels and Piping Conference (PVP-2014) CY JUL 20-24, 2014 CL Anaheim, CA SP ASME, Pressure Vessels & Pip Div AB The concept of periodic materials, based on solid state physics theory, is applied to earthquake engineering. The periodic material is a material which possesses distinct characteristics that do not allow waves with certain frequencies to be transmitted through; therefore, this material can be used in structural foundations to block unwanted seismic waves with certain frequencies. The frequency band of periodic material that can filter out waves is called the band gap, and the structural foundation made of periodic material is referred to as the periodic foundation. In designing a periodic foundation, the first step is to match band gaps of the periodic foundation with the natural frequencies of the superstructure. This is an iterative process. Starting with a design of the periodic foundation, the band gaps are identified by performing finite element analyses using ABAQUS. This design process is repeated until the band gaps match natural frequencies of the superstructure, and the field tests of a scaled specimen are conducted to validate the design. This is an on-going research project. Presented in this paper are the preliminary results, which show that the three dimensional periodic foundation is a promising and effective way to mitigate structural damage caused by earthquake excitations. C1 [Yan, Y.; Mo, Y. L.] Univ Houston, Houston, TX USA. [Laskar, A.] WorleyParsons Grp, Houston, TX USA. [Cheng, Z.; Shi, Z.] Beijing Jiaotong Univ, Beijing, Peoples R China. [Menq, F.] Univ Texas Austin, Austin, TX 78712 USA. [Tang, Y.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Yan, Y (reprint author), Univ Houston, Houston, TX USA. EM yyan7@uh.edu; laskar@gmail.com; 09115273@bjtu.edu.cn; fymenq@utexas.edu; yutang@anl.gov; yilungmo@Central.uh.edu; zfshil78@bjtu.edu.cn NR 6 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4607-0 PY 2014 AR V008T08A008 PG 7 WC Engineering, Mechanical SC Engineering GA BE6IU UT WOS:000374197000008 ER PT J AU Karthik, R AF Karthik, Rajasekar BE Chow, CY Shekhar, S TI SAME4HPC: A Promising Approach in Building a Scalable and Mobile Environment for High-Performance Computing SO PROCEEDINGS OF THE THIRD ACM SIGSPATIAL INTERNATIONAL WORKSHOP ON MOBILE GEOGRAPHIC INFORMATION SYSTEMS (MOBIGIS) LA English DT Proceedings Paper CT 3rd ACM SIGSPATIAL International Workshop on Mobile Geographic Information Systems (MobiGIS) CY NOV 04, 2014 CL Dallas, TX SP ACM SIGSPATIAL, ESRI, Microsoft, Google, Oracle, Facebook, nVIDIA, Yandex, Univ N Texas DE High-performance computing; Scalability; Mobile platforms; Cloud infrastructure; JavaScript; HTML5; Node.js; Architecture AB In this paper, an architecture for building Scalable And Mobile Environment For High-Performance Computing with spatial capabilities called SAME4HPC is described using cutting-edge technologies and standards such as Node. js, HTML5, ECMAScript 6, and PostgreSQL 9.4. Mobile devices are increasingly becoming powerful enough to run high-performance apps. At the same time, there exist a significant number of lowend and older devices that rely heavily on the server or the cloud infrastructure to do the heavy lifting. Our architecture aims to support both of these types of devices to provide highperformance and rich user experience. A cloud infrastructure consisting of OpenStack with Ubuntu, GeoServer, and highperformance JavaScript frameworks are some of the key opensource and industry standard practices that has been adopted in this architecture. C1 [Karthik, Rajasekar] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Karthik, R (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM karthikr@ornl.gov NR 13 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-3142-5 PY 2014 BP 68 EP 71 DI 10.1145/2675316.2675324 PG 4 WC Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5SG UT WOS:000382565000009 ER PT S AU Wang, Q Zorn, JA Kuriyan, J AF Wang, Qi Zorn, Julie A. Kuriyan, John BE Shokat, KM TI A Structural Atlas of Kinases Inhibited by Clinically Approved Drugs SO PROTEIN KINASE INHIBITORS IN RESEARCH AND MEDICINE SE Methods in Enzymology LA English DT Review; Book Chapter ID RECEPTOR TYROSINE KINASE; GROWTH-FACTOR RECEPTOR; DEPENDENT PROTEIN-KINASE; CHRONIC MYELOID-LEUKEMIA; PHENYLAMINO-PYRIMIDINE PAP; STRUCTURE-BASED DESIGN; BCR-ABL INHIBITOR; CRYSTAL-STRUCTURE; SELECTIVE INHIBITOR; CATALYTIC SUBUNIT AB The aberrant activation of protein kinases is associated with many human diseases, most notably cancer. Due to this link between kinase deregulation and disease progression, kinases are one of the most targeted protein families for small-molecule inhibition. Within the last 15 years, the U.S. Food and Drug Administration has approved over 20 small-molecule inhibitors of protein kinases for use in the clinic. These inhibitors target the kinase active site and represent the successful hurdling by medicinal chemists of the formidable challenge posed by the high similarity among the active sites of the approximately 500 human kinases. We review the conserved structural features of kinases that are important for inhibitor binding as well as for catalysis. Many clinically approved drugs elicit selectivity by exploiting subtle variation within the kinase active site. We highlight some of the crystallographic studies on the kinase-inhibitor complexes that have provided valuable guidance for the development of these drugs as well as for future drug design efforts. C1 [Wang, Qi; Zorn, Julie A.; Kuriyan, John] Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. [Wang, Qi; Zorn, Julie A.; Kuriyan, John] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Kuriyan, John] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Kuriyan, John] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Kuriyan, John] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.; Kuriyan, J (reprint author), Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA.; Kuriyan, J (reprint author), Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.; Kuriyan, J (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM kuriyan@berkeley.edu FU NCI NIH HHS [F32 CA177087-02] NR 156 TC 7 Z9 7 U1 3 U2 3 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-397918-6 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2014 VL 548 BP 23 EP 67 DI 10.1016/B978-0-12-397918-6.00002-1 PG 45 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BF4XO UT WOS:000381759100003 PM 25399641 ER PT B AU Guzik, JA Houdek, G Chaplin, WJ Kurtz, D Gilliland, RL Mullally, F Rowe, JF Haas, MR Bryson, ST Still, MD Boyajian, T AF Guzik, J. A. Houdek, G. Chaplin, W. J. Kurtz, D. Gilliland, R. L. Mullally, F. Rowe, J. F. Haas, M. R. Bryson, S. T. Still, M. D. Boyajian, T. BE CreechEakman, MJ Guzik, JA Stencel, RE TI Observational Constraints, Stellar Models, and Kepler Data for 0 Cyg, the Brightest Star Observable by Kepler SO RESOLVING THE FUTURE OF ASTRONOMY WITH LONG-BASELINE INTERFEROMETRY SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT Conference on Resolving the Future of Astronomy with Long-Baseline Interferometry CY MAR 28-31, 2011 CL Socorro, NM SP New Mexico Tech, Magdalena Ridge Observ ID OSCILLATIONS; ABUNDANCES; PULSATIONS AB The V = 4.48 F4 main-sequence star 8 Cyg is the brightest star observable in the Kepler spacecraft field of view. Short-cadence (58.8 s) photometric data were obtained by Kepler during June September 2010. Preliminary analysis shows solar like oscillations in the frequency range 1200 2500,uHz. To interpret these data and to motivate further observations, we use observational constraints from the literature to construct stellar evolution and pulsation models for this star. We compare the observed large frequency separation of the solar-like oscillations with the model predictions and discuss the prospects for y Doradus-like g-mode pulsations, given the observational constraints. We discuss the value of angular diameter measurements from optical interferometry for constraining stellar properties and the implications for asteroseismology. C1 [Guzik, J. A.] Los Alamos Natl Lab, XTD 2,MS T-086, Los Alamos, NM 87545 USA. [Houdek, G.] Univ Vienna, Inst Astron, A-1180 Vienna, Austria. [Chaplin, W. J.] Univ Birmingham, Sch Phys & Astron, Birmingham B15 2TT, W Midlands, England. [Kurtz, D.] Univ Cent Lancashire, Jeremiah Horrocks Inst, Preston PR1 2HE, Lancs, England. [Gilliland, R. L.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Mullally, F.; Rowe, J. F.] NASA, Ames Res Ctr, SETI Inst, Moffett Field, CA 94035 USA. [Haas, M. R.; Bryson, S. T.; Still, M. D.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Still, M. D.] Bay Area Environm Res Inst, Sonoma, CA 95476 USA. [Boyajian, T.] Georgia State Univ, Ctr High Angular Resolut Astron, Dept Phys & Astron, Atlanta, GA 30302 USA. RP Guzik, JA (reprint author), Los Alamos Natl Lab, XTD 2,MS T-086, Los Alamos, NM 87545 USA. NR 22 TC 0 Z9 0 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-858-9 J9 ASTR SOC P PY 2014 VL 487 BP 105 EP 114 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BE7YX UT WOS:000376047700009 ER PT S AU Chao, AW Chou, WR AF Chao, Alexander W. Chou, Weiren BE Chao, AW Chou, W TI Reviews of Accelerator Science and Technology Editorial Preface SO REVIEWS OF ACCELERATOR SCIENCE AND TECHNOLOGY, VOL 7: COLLIDERS SE Reviews of Accelerator Science and Technology LA English DT Editorial Material; Book Chapter C1 [Chao, Alexander W.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Chou, Weiren] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Chao, AW (reprint author), SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. EM achao@slac.stanford.edu; chou@fnal.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE SN 1793-6268 BN 978-981-465-149-3; 978-981-4651-48-6 J9 REV ACCEL SCI TECH PY 2014 VL 7 BP V EP V DI 10.1142/S1793626814010012 D2 10.1142/9079 PG 1 WC Physics, Particles & Fields SC Physics GA BE2SH UT WOS:000369966300001 ER PT S AU Fischer, W Jowett, JM AF Fischer, Wolfram Jowett, John M. BE Chao, AW Chou, W TI Ion Colliders SO REVIEWS OF ACCELERATOR SCIENCE AND TECHNOLOGY, VOL 7: COLLIDERS SE Reviews of Accelerator Science and Technology LA English DT Article; Book Chapter DE Colliders; intrabeam scattering; collimation; cooling ID PB COLLISIONS; ALICE; LHC; ACCELERATION; STACKING; MATTER; ISR; PS AB High energy ion colliders are large research tools in nuclear physics for studying the quark-gluon-plasma (QGP). The collision energy and high luminosity are important design and operational considerations. The experiments also expect flexibility with frequent changes in the collision energy, detector fields, and ion species. Ion species range from protons, including polarized protons in RHIC, to heavy nuclei like gold, lead, and uranium. Asymmetric collision combinations (such as protons against heavy ions) are also essential. For the creation, acceleration, and storage of bright intense ion beams, limits are set by space charge, charge change, and intrabeam scattering effects, as well as beam losses due to a variety of other phenomena. Currently, there are two operating ion colliders: the Relativistic Heavy Ion Collider (RHIC) at BNL and the Large Hadron Collider (LHC) at CERN. C1 [Fischer, Wolfram] Brookhaven Natl Lab, Upton, NY 11973 USA. [Jowett, John M.] CERN, CH-1211 Geneva 23, Switzerland. RP Fischer, W (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM Wolfram.Fischer@bnl.gov; John.Jowett@cern.ch OI Jowett, John M./0000-0002-9492-3775 NR 111 TC 2 Z9 2 U1 2 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE SN 1793-6268 BN 978-981-465-149-3; 978-981-4651-48-6 J9 REV ACCEL SCI TECH PY 2014 VL 7 BP 49 EP 76 DI 10.1142/S1793626814300047 D2 10.1142/9079 PG 28 WC Physics, Particles & Fields SC Physics GA BE2SH UT WOS:000369966300005 ER PT S AU Ben-Zvi, I Ptitsyn, V AF Ben-Zvi, Ilan Ptitsyn, Vadim BE Chao, AW Chou, W TI Electron-Proton and Electron-Ion Colliders SO REVIEWS OF ACCELERATOR SCIENCE AND TECHNOLOGY, VOL 7: COLLIDERS SE Reviews of Accelerator Science and Technology LA English DT Article; Book Chapter DE Colliders; electron; ion; polarized; luminosity ID SPIN POLARIZATION; SUPERLATTICE PHOTOCATHODES; STORAGE-RING; HIRFL-CSR; INSTABILITY; PHOTOEMISSION; ACCELERATORS; PHYSICS; HERA AB The physics motivation, accelerator science, plans for future facilities and major accelerator systems of electron-ion colliders are presented. The science enabled by these machines motivates the machine design with high luminosity and flexibility, and thus leads to new challenges in accelerator science. Innovative solutions, developed in order to achieve the objectives set for these machines, are described. Major accelerator systems and accelerator physics issues are also described, and references are provided for readers interested in greater detail. C1 [Ben-Zvi, Ilan; Ptitsyn, Vadim] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. RP Ben-Zvi, I (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. EM benzvi@bnl.gov; vadimp@bnl.gov NR 156 TC 1 Z9 1 U1 1 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE SN 1793-6268 BN 978-981-465-149-3; 978-981-4651-48-6 J9 REV ACCEL SCI TECH PY 2014 VL 7 BP 77 EP 114 DI 10.1142/S1793626814300059 D2 10.1142/9079 PG 38 WC Physics, Particles & Fields SC Physics GA BE2SH UT WOS:000369966300006 ER PT S AU Palmer, RB AF Palmer, R. B. BE Chao, AW Chou, W TI Muon Colliders SO REVIEWS OF ACCELERATOR SCIENCE AND TECHNOLOGY, VOL 7: COLLIDERS SE Reviews of Accelerator Science and Technology LA English DT Article; Book Chapter DE Muon; collider; high energy physics; HEP; Higgs AB After an introduction, the projected performances are presented for muon colliders with a range of energies from 126 GeV (the Higgs mass) to 6TeV. Estimates of potential wall power consumption are also given. It is noted that a merit factor, the number of simultaneously operated detectors times the luminosity divided by the power consumption, rises rapidly above 1.5TeV. At 6TeV it is projected to be almost two orders of magnitude higher than that for an e(+) e(-) linear collider. The reason for this is discussed. The physics potential of these machines is then outlined, including the 126GeV collider's unique ability to measure the Higgs width, and the potential for a high energy machine's study of any structure seen in a hadron collider. The design and simulations of the different components are then reviewed, followed by a discussion of the supporting experiments and technology R&D. C1 [Palmer, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Palmer, RB (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 85 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE SN 1793-6268 BN 978-981-465-149-3; 978-981-4651-48-6 J9 REV ACCEL SCI TECH PY 2014 VL 7 BP 137 EP 159 DI 10.1142/S1793626814300072 D2 10.1142/9079 PG 23 WC Physics, Particles & Fields SC Physics GA BE2SH UT WOS:000369966300008 ER PT S AU Gronberg, J AF Gronberg, Jeffrey BE Chao, AW Chou, W TI The Photon Collider SO REVIEWS OF ACCELERATOR SCIENCE AND TECHNOLOGY, VOL 7: COLLIDERS SE Reviews of Accelerator Science and Technology LA English DT Article; Book Chapter DE Photon collider; electron linear collider; gamma gamma ID INERTIAL FUSION ENERGY; GAMMA-GAMMA-BEAMS; LASER; ACCELERATORS; FUTURE; PULSES; BOSON; POWER; LHC; ILC AB The idea of converting an electron linear collider into a photon-photon collider through the addition of high power lasers was put forward in the early 1980s. Progress in the field of high average power, short pulse lasers has brought the state of the art within striking range of what would be required to realize a photon collider. In parallel, the necessary modifications to the detector and accelerator to enable a photon collider have been laid out. The basic concept of the photon collider, the requirements for the laser, and the detector and accelerator impact are reviewed in this article. C1 [Gronberg, Jeffrey] Lawrence Livermore Natl Lab, Phys & Life Sci, 7000 East Ave, Livermore, CA 94550 USA. RP Gronberg, J (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci, 7000 East Ave, Livermore, CA 94550 USA. EM gronberg1@llnl.gov NR 32 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE SN 1793-6268 BN 978-981-465-149-3; 978-981-4651-48-6 J9 REV ACCEL SCI TECH PY 2014 VL 7 BP 161 EP 175 DI 10.1142/S1793626814300084 D2 10.1142/9079 PG 15 WC Physics, Particles & Fields SC Physics GA BE2SH UT WOS:000369966300009 ER PT S AU Kim, KJ Budnitz, RJ Winick, H AF Kim, Kwang-Je Budnitz, Robert J. Winick, Herman BE Chao, AW Chou, W TI Andy Sessler: The Full Life of an Accelerator Physicist SO REVIEWS OF ACCELERATOR SCIENCE AND TECHNOLOGY, VOL 7: COLLIDERS SE Reviews of Accelerator Science and Technology LA English DT Article; Book Chapter DE A. M. Sessler; accelerator physics and technology; particle colliders; energy and environmental research; human rights of scientists AB This article describes the distinguished career of Andrew M. Sessler, the visionary former director of the Lawrence Berkeley National Laboratory (LBNL), one of the most influential accelerator physicists, and a strong, dedicated human-rights activist. Andy died on 17 April 2014 from cancer at age 85. He grew up in New York City, and attended Harvard (BA in Mathematics, 1949) and then Columbia (PhD in Physics, 1953.) After an NSF postdoc at Cornell with Hans Bethe and a stint on the faculty at the Ohio State University in 1954-59, he joined the Lawrence Radiation Laboratory (now LBNL) in 1959, and spent the remainder of his career there. Although Andy left his mark on several areas of physics, including nuclear structure theory, elementary-particle physics, and many-body problems, his lasting and most important contributions came from his efforts in accelerator physics and engineering, to which he devoted most of his life's work. In collaboration with his colleagues of the legendary Midwestern Universities Research Association, he developed theories for the RF acceleration process and the collective instability phenomena, helping to realize the colliding-beam accelerators with which most of the high-energy-physics discoveries of the last few decades have been made. His work in connection with the free-electron-laser (FEL) amplifier for high-power microwave generation constructed at the Lawrence Livermore National Laboratory anticipated the optical-guiding and the self-amplified spontaneous-emission principles, upon which the success of the X-ray FELs as the fourth-generation light sources is based. Throughout his career Andy made major contributions to issues related to the impact of science and technology on society. He helped usher in a new era of research on energy efficiency and sustainable-energy technology and was instrumental in building the research agendas in those areas for the Atomic Energy Commission (AEC) and later the Department of Energy. With a lifelong interest in promoting the human rights of scientists, Andy was instrumental in initiating the American Physical Society's Committee on International Freedom of Scientists and in raising funds to endow the APS Andrei Sakharov Prize. He and Moishe Pripstein cofounded Scientists for Sakharov, Orlov, and Sharansky; the group's protests along with those of other groups led to the release of the three Soviet dissidents. More importantly, Andy's voice and example became a major force in helping call the world's attention to the plight of scientists trapped in places where their human rights and their ability to do science were severely compromised. Andy received many honors, including the AEC's Ernest Orlando Lawrence Award in 1970, the APS's Dwight Nicholson Medal in 1994, and the Enrico Fermi Award from the US Department of Energy in 2014. C1 [Kim, Kwang-Je] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Budnitz, Robert J.] Lawrence Livermore Natl Lab, Div Earth Sci, Livermore, CA USA. [Winick, Herman] Stanford Univ, SLAC Natl Accelerator Lab, Dept Appl Phys, Stanford, CA 94305 USA. RP Kim, KJ (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM kwangje@aps.anl.gov; RJBudnitz@lbl.gov; winick@slac.stanford.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE SN 1793-6268 BN 978-981-465-149-3; 978-981-4651-48-6 J9 REV ACCEL SCI TECH PY 2014 VL 7 BP 225 EP 240 DI 10.1142/S1793626814300114 D2 10.1142/9079 PG 16 WC Physics, Particles & Fields SC Physics GA BE2SH UT WOS:000369966300012 ER PT S AU Reyes, FE Schwartz, CR Tainer, JA Rambo, RP AF Reyes, Francis E. Schwartz, Camille R. Tainer, John A. Rambo, Robert P. BE BurkeAguero, DH TI Methods for Using New Conceptual Tools and Parameters to Assess RNA Structure by Small-Angle X-Ray Scattering SO RIBOSWITCH DISCOVERY, STRUCTURE AND FUNCTION SE Methods in Enzymology LA English DT Review; Book Chapter ID INTRINSICALLY DISORDERED PROTEINS; BIOLOGICAL MACROMOLECULES; APTAMER DOMAIN; LYSINE RIBOSWITCH; LIGHT-SCATTERING; SAXS DATA; COMPUTATION; CONFORMATIONS; LIGAND; RESOLUTION AB Understanding the biological activities of riboswitches and of RNA in general requires a thorough analysis of both the spatial arrangement of the residues and the dynamics of the structural ensemble. Specifically, evaluating the structural basis for riboswitch function requires analyses of many relevant states that include ligand-bound and -free, high Mg2+, and quite possibly, the active transcription state, which is challenging to achieve by most methods. Small angle X-ray scattering (SAXS) is an enabling technique for comprehensive analyses of RNA structures in solution. Here, we describe recent SAXS tools and technologies that substantially improve the potential for accurate and comprehensive analyses of flexibility, unstructured elements, conformational selection, and induced fit in RNA function. We note equipment needed plus appropriate annealing and purification procedures. We describe key model-independent parameters (SAXS invariants) which can be used to monitor changes in a particle's thermodynamic state: the Guinier-based R-g, the volume-of-correlation (V-c), the Porod-Debye exponent (P-E), and the power-law parameter, Q(R), that determines mass directly from the SAXS data. We also consider the value of real-space parameters and of multiphase modeling with MONSA to locate secondary structure elements within SAXS volumetric envelopes. For conformation changes, experiments with nanogold-labeled RNA analyzed using the SAXS structural comparison map and volatility ratio difference metric enable high-throughput evaluation of solution-state conformations. Collectively, the described tools and procedures enable quantitative and comprehensive measures of riboswitch structures with general implications for our views and strategies of RNA structural analysis. C1 [Reyes, Francis E.; Schwartz, Camille R.; Rambo, Robert P.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. [Tainer, John A.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. [Tainer, John A.] Scripps Res Inst, La Jolla, CA 92037 USA. RP Rambo, RP (reprint author), Diamond Light Source Ltd, Harwell Sci & Innovat Campus, Didcot, Oxon, England. EM robert_p_rambo@hotmail.com FU NIGMS NIH HHS [R01GM105404] NR 73 TC 7 Z9 7 U1 6 U2 11 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-801122-5 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2014 VL 549 BP 235 EP 263 DI 10.1016/B978-0-12-801122-5.00011-8 PG 29 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BF4XX UT WOS:000381763600012 PM 25432752 ER PT S AU Heybrock, S Joo, B Kalamkar, DD Smelyanskiy, M Vaidyanathan, K Wettig, T Dubey, P AF Heybrock, Simon Joo, Balint Kalamkar, Dhiraj D. Smelyanskiy, Mikhail Vaidyanathan, Karthikeyan Wettig, Tilo Dubey, Pradeep GP IEEE TI Lattice QCD with Domain Decomposition on Intel (R) Xeon Phi (TM) Co-Processors SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE Domain decomposition; Intel (R) Xeon Phi (TM) co-processor; Lattice QCD ID NONSYMMETRIC LINEAR-SYSTEMS; ALGORITHM AB The gap between the cost of moving data and the cost of computing continues to grow, making it ever harder to design iterative solvers on extreme-scale architectures. This problem can be alleviated by alternative algorithms that reduce the amount of data movement. We investigate this in the context of Lattice Quantum Chromodynamics and implement such an alternative solver algorithm, based on domain decomposition, on Intel (R) Xeon Phi (TM) co-processor (KNC) clusters. We demonstrate close-to-linear on-chip scaling to all 60 cores of the KNC. With a mix of single-and half-precision the domain-decomposition method sustains 400-500 Gflop/s per chip. Compared to an optimized KNC implementation of a standard solver [1], our full multi-node domain-decomposition solver strong-scales to more nodes and reduces the time-to-solution by a factor of 5. C1 [Heybrock, Simon; Wettig, Tilo] Univ Regensburg, Inst Theoret Phys, D-93053 Regensburg, Germany. [Joo, Balint] Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. [Kalamkar, Dhiraj D.; Vaidyanathan, Karthikeyan] Intel Corp, Parallel Comp Lab, Bangalore, Karnataka, India. [Smelyanskiy, Mikhail; Dubey, Pradeep] Intel Corp, Parallel Comp Lab, Santa Clara, CA USA. RP Heybrock, S (reprint author), Univ Regensburg, Inst Theoret Phys, D-93053 Regensburg, Germany. FU Deutsche Forschungsgemeinschaft [SFB/TR 55]; SciDAC program - U.S. Department of Energy, Office of Science, ASCR, NP, and HEP Offices; U.S. DOE [DE-AC05-06OR23177]; U.S. National Science Foundation [ACI 1238993]; state of Illinois; PRAC project 'Lattice QCD On Blue Waters' award [OCI08-32315] FX This work has been supported by the Deutsche Forschungsgemeinschaft (SFB/TR 55). The authors acknowledge the Texas Advanced Computing Center (TACC) at The University of Texas at Austin for providing HPC resources that have contributed to the research results reported within this paper. B. Joo acknowledges support through the SciDAC program funded by the U.S. Department of Energy, Office of Science, ASCR, NP, and HEP Offices and through U.S. DOE Contract No. DE-AC05-06OR23177 under which Jefferson Science Associates, LLC operates Jefferson Lab. The U.S. Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce this manuscript for U.S. Government purposes. The 643 x128 lattice field configuration was produced on the Blue Waters computing system, supported by the U.S. National Science Foundation (award number ACI 1238993) and the state of Illinois. The configuration was generated as part of research under PRAC project 'Lattice QCD On Blue Waters' award no. OCI08-32315. NR 25 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 69 EP 80 DI 10.1109/SC.2014.11 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400006 ER PT S AU Gimenez, A Gamblin, T Rountree, B Bhatele, A Jusufi, I Bremer, PT Hamann, B AF Gimenez, Alfredo Gamblin, Todd Rountree, Barry Bhatele, Abhinav Jusufi, Ilir Bremer, Peer-Timo Hamann, Bernd GP IEEE TI Dissecting On-Node Memory Access Performance: A Semantic Approach SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC AB Optimizing memory access is critical for performance and power efficiency. CPU manufacturers have developed sampling-based performance measurement units (PMUs) that report precise costs of memory accesses at specific addresses. However, this data is too low-level to be meaningfully interpreted and contains an excessive amount of irrelevant or uninteresting information. We have developed a method to gather fine-grained memory access performance data for specific data objects and regions of code with low overhead and attribute semantic information to the sampled memory accesses. This information provides the context necessary to more effectively interpret the data. We have developed a tool that performs this sampling and attribution and used the tool to discover and diagnose performance problems in real-world applications. Our techniques provide useful insight into the memory behavior of applications and allow programmers to understand the performance ramifications of key design decisions: domain decomposition, multi-threading, and data motion within distributed memory systems. C1 [Gimenez, Alfredo; Jusufi, Ilir; Hamann, Bernd] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. [Gamblin, Todd; Rountree, Barry; Bhatele, Abhinav; Bremer, Peer-Timo] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Gimenez, A (reprint author), Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. EM aagimenez@ucdavis.edu; tgamblin@llnl.gov; rountree@llnl.gov; bhatele@llnl.gov; jusufi@ucdavis.edu; ptbremer@llnl.gov; bhamann@ucdavis.edu FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344 (LLNL-CONF-658626)]; University of California through its UC Laboratory Fees Research Grant Program 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 (LLNL-CONF-658626).; This effort was also supported by the University of California through its UC Laboratory Fees Research Grant Program. NR 25 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 166 EP 176 DI 10.1109/SC.2014.19 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400014 ER PT S AU Oral, S Simmons, J Hill, J Leverman, D Wang, FY Ezell, M Miller, R Fuller, D Gunasekaran, R Kim, Y Gupta, S Tiwari, D Vazhkudai, SS Rogers, JH Dillow, D Shipman, GM Bland, AS AF Oral, Sarp Simmons, James Hill, Jason Leverman, Dustin Wang, Feiyi Ezell, Matt Miller, Ross Fuller, Douglas Gunasekaran, Raghul Kim, Youngjae Gupta, Saurabh Tiwari, Devesh Vazhkudai, Sudharshan S. Rogers, James H. Dillow, David Shipman, Galen M. Bland, Arthur S. GP IEEE TI Best Practices and Lessons Learned from Deploying and Operating Large-Scale Data-Centric Parallel File Systems SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC AB The Oak Ridge Leadership Computing Facility (OLCF) has deployed multiple large-scale parallel file systems (PFS) to support its operations. During this process, OLCF acquired significant expertise in large-scale storage system design, file system software development, technology evaluation, bench-marking, procurement, deployment, and operational practices. Based on the lessons learned from each new PFS deployment, OLCF improved its operating procedures, and strategies. This paper provides an account of our experience and lessons learned in acquiring, deploying, and operating large-scale parallel file systems. We believe that these lessons will be useful to the wider HPC community. C1 [Oral, Sarp; Simmons, James; Hill, Jason; Leverman, Dustin; Wang, Feiyi; Ezell, Matt; Miller, Ross; Fuller, Douglas; Gunasekaran, Raghul; Kim, Youngjae; Gupta, Saurabh; Tiwari, Devesh; Vazhkudai, Sudharshan S.; Rogers, James H.; Dillow, David; Shipman, Galen M.; Bland, Arthur S.] Oak Ridge Natl Lab, Oak Ridge Leadership Comp Facil, Oak Ridge, TN 37830 USA. RP Oral, S (reprint author), Oak Ridge Natl Lab, Oak Ridge Leadership Comp Facil, Oak Ridge, TN 37830 USA. FU Office of Science of the Department of Energy [DE-AC05-00OR22725]; U.S. Department of Energy [DE-AC05-00OR22725] FX 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.; 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 nonexclusive, 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 29 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 217 EP 228 DI 10.1109/SC.2014.23 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400018 ER PT S AU May, DA Brown, J Le Pourhiet, L AF May, Dave A. Brown, Jed Le Pourhiet, Laetitia GP IEEE TI pTatin3D: High-Performance Methods for Long-Term Lithospheric Dynamics SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE geodynamics; Stokes; variable viscosity; multi-level preconditioners; vectorization; matrix-free ID NAVIER-STOKES EQUATIONS; TRANSFORM FAULTS; CREEPING FLOWS; FREE-SURFACE; MODELS; CONVECTION; ELEMENT; DEFORMATION; INSTABILITY; MANTLE AB Simulations of long-term lithospheric deformation involve post-failure analysis of high-contrast brittle materials driven by buoyancy and processes at the free surface. Geodynamic phenomena such as subduction and continental rifting take place over millions year time scales, thus require efficient solution methods. We present pTatin3D, a geodynamics modeling package utilising the material-point-method for tracking material composition, combined with a multigrid finite-element method to solve heterogeneous, incompressible visco-plastic Stokes problems. Here we analyze the performance and algorithmic tradeoffs of pTatin3D's multigrid preconditioner. Our matrix-free geometric multigrid preconditioner trades flops for memory bandwidth to produce a time-to-solution > 2x faster than the best available methods utilising stored matrices (plagued by memory bandwidth limitations), exploits local element structure to achieve weak scaling at 30% of FPU peak on Cray XC-30, has improved dynamic range due to smaller memory footprint, and has more consistent timing and better intra-node scalability due to reduced memory-bus and cache pressure. C1 [May, Dave A.] Swiss Fed Inst Technol, Dept Earth Sci, Zurich, Switzerland. [Brown, Jed] Univ Colorado Boulder, Dept Comp Sci, Argonne Natl Lab, Math & Comp Sci Div, Boulder, CO USA. [Le Pourhiet, Laetitia] Univ Nice Sophia Antipolis, CNRS, IRD, Observ Cote dAzur,Geoazur UMR 7329, F-06560 Valbonne, France. RP May, DA (reprint author), Swiss Fed Inst Technol, Dept Earth Sci, Zurich, Switzerland. EM dave.may@erdw.ethz.ch; jedbrown@mcs.anl.gov; laetitia.le_pourhiet@upmc.fr OI le pourhiet, laetitia/0000-0001-9495-4742 FU Swiss National Science Foundation Grant [200021-113503/1]; U.S. Department of Energy's Office of Science [DE-AC02-06CH11357] FX NERSC is thanked for compute time on the Cray XC-30 "Edison". Philippe de Clarens at TOTAL is acknowledged for time on the SGI-ICE "Rostand". Caroline Baldassari (SGI) is thanked for helping set up the code on "Rostand". JB was supported by Swiss National Science Foundation Grant 200021-113503/1 and the U.S. Department of Energy's Office of Science under Contract DE-AC02-06CH11357. The authors thank the four anonymous reviewers for their constructive feedback. NR 60 TC 3 Z9 3 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 274 EP 284 DI 10.1109/SC.2014.28 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400023 ER PT S AU Armstrong, TG Wozniak, JM Wilde, M Foster, IT AF Armstrong, Timothy G. Wozniak, Justin M. Wilde, Michael Foster, Ian T. GP IEEE TI Compiler Techniques for Massively Scalable Implicit Task Parallelism SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE Parallel scripting; Swift; High-performance computing; Compiler optimization; Data-flow; Execution models; Programming models AB Swift/T is a high-level language for writing concise, deterministic scripts that compose serial or parallel codes implemented in lower-level programming models into large-scale parallel applications. It executes using a data-driven task parallel execution model that is capable of orchestrating millions of concurrently executing asynchronous tasks on homogeneous or heterogeneous resources. Producing code that executes efficiently at this scale requires sophisticated compiler transformations: poorly optimized code inhibits scaling with excessive synchronization and communication. We present a comprehensive set of compiler techniques for data-driven task parallelism, including novel compiler optimizations and intermediate representations. We report application benchmark studies, including unbalanced tree search and simulated annealing, and demonstrate that our techniques greatly reduce communication overhead and enable extreme scalability, distributing up to 612 million dynamically load balanced tasks per second at scales of up to 262,144 cores without explicit parallelism, synchronization, or load balancing in application code. C1 [Armstrong, Timothy G.; Foster, Ian T.] Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. [Wozniak, Justin M.; Wilde, Michael; Foster, Ian T.] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Wozniak, Justin M.; Wilde, Michael; Foster, Ian T.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Wozniak, Justin M.; Wilde, Michael; Foster, Ian T.] Argonne Natl Lab, Chicago, IL USA. RP Armstrong, TG (reprint author), Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. FU U.S. DOE Office of Science [DE-AC02-06CH11357]; NSF [ACI 1148443]; Argonne National Laboratory [S10 RR029030-01]; NSF award [ACI 1238993]; state of Illinois through the Blue Waters sustained-petascale computing project FX This research is supported by the U.S. DOE Office of Science under contract DE-AC02-06CH11357 and NSF award ACI 1148443. Computing resources were provided in part by NIH through the Computation Institute and the Biological Sciences Division of the University of Chicago and Argonne National Laboratory, under grant S10 RR029030-01, and by NSF award ACI 1238993 and the state of Illinois through the Blue Waters sustained-petascale computing project. NR 40 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 299 EP 310 DI 10.1109/SC.2014.30 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400025 ER PT S AU Abdel-Gawad, AH Thottethodi, M Bhatele, A AF Abdel-Gawad, Ahmed H. Thottethodi, Mithuna Bhatele, Abhinav GP IEEE TI RAHTM: Routing Algorithm Aware Hierarchical Task Mapping SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE task mapping; routing; divide-and-conquer; linear programming; torus ID COMMUNICATION AB The mapping of MPI processes to compute nodes on a supercomputer can have a significant impact on communication performance. For high performance computing (HPC) applications with iterative communication, rich offline analysis of such communication can improve performance by optimizing the mapping. Unfortunately, current practices for at-scale HPC consider only the communication graph and network topology in solving this problem. We propose Routing Algorithm aware Hierarchical Task Mapping (RAHTM) which leverages the knowledge of the routing algorithm to improve task mapping. RAHTM achieves highquality mappings by combining (1) a divide-and-conquer strategy to achieve scalability, (2) a limited search of mappings, and (3) a linear programming based routing-aware approach to evaluate possible mappings in the search space. RAHTM achieves 20% reduction in the communication time and 9% reduction in the overall execution time for three communication-heavy benchmarks scaled up to 16,384 processes on a Blue Gene/Q platform. C1 [Abdel-Gawad, Ahmed H.; Thottethodi, Mithuna] Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA. [Bhatele, Abhinav] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Abdel-Gawad, AH (reprint author), Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA. EM aabdelga@purdue.edu; mithuna@purdue.edu; bhatele@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [13-ERD-055, LLNL-CONF-653568]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357] 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 work was funded by the Laboratory Directed Research and Development Program at LLNL under project tracking code 13-ERD-055 (LLNL-CONF-653568).; This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357 (project allocation: PEACEndStation). We thank the anonymous reviewers for their valuable feedback. We also thank Todd Gamblin and Martin Schulz from LLNL for their early feedback on this approach. NR 21 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 325 EP 335 DI 10.1109/SC.2014.32 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400027 ER PT S AU Jain, N Bhatele, A Ni, X Wright, NJ Kale, LV AF Jain, Nikhil Bhatele, Abhinav Ni, Xiang Wright, Nicholas J. Kale, Laxmikant V. GP IEEE TI Maximizing Throughput on a Dragonfly Network SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE prediction; modeling; dragonfly networks; job placement; routing ID PROGRAMS AB Interconnection networks are a critical resource for large supercomputers. The dragonfly topology, which provides a low network diameter and large bisection bandwidth, is being explored as a promising option for building multi-Petaflop/s and Exaflop/s systems. Unlike the extensively studied torus networks, the best choices of message routing and job placement strategies for the dragonfly topology are not well understood. This paper aims at analyzing the behavior of a machine built using a dragonfly network for various routing strategies, job placement policies, and application communication patterns. Our study is based on a novel model that predicts traffic on individual links for direct, indirect, and adaptive routing strategies. We analyze results for individual communication patterns and some common parallel job workloads. The predictions presented in this paper are for a 100+ Petaflop/s prototype machine with 92,160 highradix routers and 8.8 million cores. C1 [Jain, Nikhil; Ni, Xiang; Kale, Laxmikant V.] Univ Illinois, Dept Comp Sci, Urbana, IL 61801 USA. [Bhatele, Abhinav] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. [Wright, Nicholas J.] Lawrence Berkeley Natl Lab, NERSC, Berkeley, CA 94720 USA. RP Jain, N (reprint author), Univ Illinois, Dept Comp Sci, Urbana, IL 61801 USA. EM nikhil@illinois.edu; bhatele@llnl.gov; xiangni2@illinois.edu; njwright@lbl.gov; kale@illinois.edu FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [13-ERD-055, LLNL-CONF-653557]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357]; National Science Foundation [ACI-1053575, TG-CCR140032] 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 work was funded by the Laboratory Directed Research and Development Program at LLNL under project tracking code 13-ERD-055 (LLNL-CONF-653557).; This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357 (project allocations: PEACEndStation, PARTS). This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575 (project grant: TG-CCR140032). NR 27 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 336 EP 347 DI 10.1109/SC.2014.33 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400028 ER PT S AU Koanantakool, P Yelick, K AF Koanantakool, Penporn Yelick, Katherine GP IEEE TI A Computation- and Communication-Optimal Parallel Direct 3-Body Algorithm SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE parallel algorithms; communication-avoiding algorithms; particle methods; n-body ID MANY-BODY POTENTIALS; MOLECULAR-DYNAMICS; SIMULATIONS; FORCES; 2-BODY AB Traditional particle simulation methods are used to calculate pairwise potentials, but some problems require 3-body potentials that calculate over triplets of particles. A direct calculation of 3-body interactions involves O(n(3)) interactions, but has significant redundant computations that occur in a nested loop formulation. In this paper we explore algorithms for 3-body computations that simultaneously optimize three criteria: computation minimization through symmetries, communication optimality, and load balancing. We present a new 3-body algorithm that is both communication and computation optimal. Its optional replication factor, c, saves c(3) in latency (number of messages) and c(2) in bandwidth (volume), with bounded loadimbalance. We also consider the k-body case and discuss an algorithm that is optimal if there is a cutoff distance of less than 1/3 of the domain. The 3-body algorithm demonstrates 99% efficiency on tens of thousands of cores, showing strong scaling properties with order of magnitude speedups over the naive algorithm. C1 [Koanantakool, Penporn; Yelick, Katherine] Univ Calif Berkeley, Div Comp Sci, Berkeley, CA 94720 USA. [Koanantakool, Penporn; Yelick, Katherine] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Koanantakool, P (reprint author), Univ Calif Berkeley, Div Comp Sci, Berkeley, CA 94720 USA. EM penpornk@cs.berkeley.edu; yelick@cs.berkeley.edu FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231, DE-AC02-06CH11357]; Department of Energy's Office of Advanced Scientific Computing Research X-Stack program under University of California, Berkeley [DE-SC0008700]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Fulbright Scholarship FX This research used resources of the National Energy Research Scientific Computing Center and the Argonne Leadership Computing Facility, both supported by the Office of Science of the U.S. Department of Energy under Contracts No. DE-AC02-05CH11231 and DE-AC02-06CH11357, respectively. This work was also supported by the Department of Energy's Office of Advanced Scientific Computing Research X-Stack program under University of California, Berkeley contract DE-SC0008700 and Lawrence Berkeley National Laboratory contract DE-AC02-05CH11231. The first author was supported by a Fulbright Scholarship. NR 29 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 363 EP 374 DI 10.1109/SC.2014.35 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400030 ER PT S AU Rajbhandari, S Nikam, A Lai, PW Stock, K Krishnamoorthy, S Sadayappan, P AF Rajbhandari, Samyam Nikam, Akshay Lai, Pai-Wei Stock, Kevin Krishnamoorthy, Sriram Sadayappan, P. GP IEEE TI A Communication-Optimal Framework for Contracting Distributed Tensors SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC ID COUPLED-CLUSTER THEORY; MATRIX MULTIPLICATION; QUANTUM-CHEMISTRY; PERFORMANCE AB Tensor contractions are extremely compute intensive generalized matrix multiplication operations encountered in many computational science fields, such as quantum chemistry and nuclear physics. Unlike distributed matrix multiplication, which has been extensively studied, limited work has been done in understanding distributed tensor contractions. In this paper, we characterize distributed tensor contraction algorithms on torus networks. We develop a framework with three fundamental communication operators to generate communication-efficient contraction algorithms for arbitrary tensor contractions. We show that for a given amount of memory per processor, the framework is communication optimal for all tensor contractions. We demonstrate performance and scalability of the framework on up to 262,144 cores on a Blue Gene/Q supercomputer. C1 [Rajbhandari, Samyam; Nikam, Akshay; Lai, Pai-Wei; Stock, Kevin; Sadayappan, P.] Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. [Krishnamoorthy, Sriram] Pacific Northwest Natl Lab, Computat Sci & Math Div, Richland, WA USA. RP Rajbhandari, S (reprint author), Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. EM rajbhand@cse.ohio-state.edu; nikam@cse.ohio-state.edu; laip@cse.ohio-state.edu; stockk@cse.ohio-state.edu; sriram@pnnl.gov; saday@cse.ohio-state.edu FU U.S. Department of Energy's ( DOE) Office of Science, Office of Advanced Scientific Computing Research [63823, DE-SC0008844]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357] FX We thank Karol Kowalski for his help with understanding tensor contractions in many body methods. This work was supported in part by the U.S. Department of Energy's (DOE) Office of Science, Office of Advanced Scientific Computing Research, under awards 63823 and DE-SC0008844. 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 Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357. NR 28 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 375 EP 386 DI 10.1109/SC.2014.36 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400031 ER PT S AU Kumar, S Edwards, J Bremer, PT Knoll, A Christensen, C Vishwanath, V Carns, P Schmidt, JA Pascucci, V AF Kumar, Sidharth Edwards, John Bremer, Peer-Timo Knoll, Aaron Christensen, Cameron Vishwanath, Venkatram Carns, Philip Schmidt, John A. Pascucci, Valerio GP IEEE TI Efficient I/O and Storage of Adaptive-Resolution Data SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC ID VISUALIZATION; SIMULATION AB We present an efficient, flexible, adaptive-resolution I/O framework that is suitable for both uniform and Adaptive Mesh Refinement (AMR) simulations. In an AMR setting, current solutions typically represent each resolution level as an independent grid which often results in inefficient storage and performance. Our technique coalesces domain data into a unified, multiresolution representation with fast, spatially aggregated I/O. Furthermore, our framework easily extends to importance-driven storage of uniform grids, for example, by storing regions of interest at full resolution and nonessential regions at lower resolution for visualization or analysis. Our framework, which is an extension of the PIDX framework, achieves state of the art disk usage and I/O performance regardless of resolution of the data, regions of interest, and the number of processes that generated the data. We demonstrate the scalability and efficiency of our framework using the Uintah and S3D large-scale combustion codes on the Mira and Edison supercomputers. C1 [Kumar, Sidharth; Edwards, John; Bremer, Peer-Timo; Knoll, Aaron; Christensen, Cameron; Schmidt, John A.; Pascucci, Valerio] Univ Utah, Sci Comp & Imaging Inst, Salt Lake City, UT 84112 USA. [Vishwanath, Venkatram; Carns, Philip] Argonne Natl Lab, Argonne, IL 60439 USA. [Bremer, Peer-Timo] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Kumar, S (reprint author), Univ Utah, Sci Comp & Imaging Inst, Salt Lake City, UT 84112 USA. FU BNSF [CISE ACI-0904631]; NSG [IIS-1045032]; DOE/NEUP [120341]; DOE/Codesign [P01180734]; DOE/SciDAC [DESC0007446]; CCMSC [DE-NA0002375]; Office of Science of the U.S. Department of Energy [DE- AC02-06CH11357]; NSF [EFT ACI-0906379] FX This work is supported in part by BNSF CISE ACI-0904631, NSG IIS-1045032, NSF EFT ACI-0906379, DOE/NEUP 120341, DOE/Codesign P01180734, DOE/SciDAC DESC0007446, and CCMSC DE-NA0002375. This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE- AC02-06CH11357. NR 26 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 413 EP 423 DI 10.1109/SC.2014.39 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400034 ER PT S AU Ahrens, J Jourdain, S O'Leary, P Patchett, J Rogers, DH Petersen, M AF Ahrens, James Jourdain, Sebastien O'Leary, Patrick Patchett, John Rogers, David H. Petersen, Mark GP IEEE TI An Image-based Approach to Extreme Scale In Situ Visualization and Analysis SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC ID VOLUME DATA AB Extreme scale scientific simulations are leading a charge to exascale computation, and data analytics runs the risk of being a bottleneck to scientific discovery. Due to power and I/O constraints, we expect in situ visualization and analysis will be a critical component of these workflows. Options for extreme scale data analysis are often presented as a stark contrast: write large files to disk for interactive, exploratory analysis, or perform in situ analysis to save detailed data about phenomena that a scientists knows about in advance. We present a novel framework for a third option - a highly interactive, image-based approach that promotes exploration of simulation results, and is easily accessed through extensions to widely used open source tools. This in situ approach supports interactive exploration of a wide range of results, while still significantly reducing data movement and storage. C1 [Ahrens, James; Patchett, John; Rogers, David H.; Petersen, Mark] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Jourdain, Sebastien; O'Leary, Patrick] Kitware Inc, Santa Fe, NM 87505 USA. RP Ahrens, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM ahrens@lanl.gov; sebastien.jourdain@kitware.com; patrick.oleary@kitware.com; patchett@lanl.gov; dhr@lanl.gov; mpetersen@lanl.gov OI Petersen, Mark/0000-0001-7170-7511 FU Program Manager for the Advanced Scientific Computing Research (ASCR) program office in the Department of Energy?s (DOE) Office of Science FX This work was funded by Dr. Lucy Nowell, Program Manager for the Advanced Scientific Computing Research (ASCR) program office in the Department of Energy?s (DOE) Office of Science. The authors would like to thank Dr. Galen Gisler and Dr. Robert Weaver of Los Alamos National Laboratory (LANL) for the xRage input decks used in this paper. We would also like to thank Pat Fasel of LANL, and Dr. Andy Bauer of Kitware Inc., for their help and support in developing the MPAS in situ capability. NR 40 TC 2 Z9 2 U1 0 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 424 EP 434 DI 10.1109/SC.2014.40 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400035 ER PT S AU Georganas, E Buluc, A Chapman, J Oliker, L Rokhsar, D Yelick, K AF Georganas, Evangelos Buluc, Aydin Chapman, Jarrod Oliker, Leonid Rokhsar, Daniel Yelick, Katherine GP IEEE TI Parallel De Bruijn Graph Construction and Traversal for De Novo Genome Assembly SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC ID K-MERS AB De novo whole genome assembly reconstructs genomic sequence from short, overlapping, and potentially erroneous fragments called reads. We study optimized parallelization of the most time-consuming phases of Meraculous, a state-of-the-art production assembler. First, we present a new parallel algorithm for k-mer analysis, characterized by intensive communication and I/O requirements, and reduce the memory requirements by 6.93x. Second, we efficiently parallelize de Bruijn graph construction and traversal, which necessitates a distributed hash table and is a key component of most de novo assemblers. We provide a novel algorithm that leverages one-sided communication capabilities of the Unified Parallel C (UPC) to facilitate the requisite fine-grained parallelism and avoidance of data hazards, while analytically proving its scalability properties. Overall results show unprecedented performance and efficient scaling on up to 15,360 cores of a Cray XC30, on human genome as well as the challenging wheat genome, with performance improvement from days to seconds. C1 [Georganas, Evangelos; Buluc, Aydin; Oliker, Leonid; Yelick, Katherine] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Chapman, Jarrod; Rokhsar, Daniel] Lawrence Berkeley Natl Lab, Joint Genome Inst, Berkeley, CA USA. [Georganas, Evangelos; Yelick, Katherine] Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA. [Rokhsar, Daniel] Univ Calif Berkeley, Mol & Cell Biol Dept, Berkeley, CA 94720 USA. RP Georganas, E (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. FU Applied Mathematics and Computer Science Programs of the DOE Office of Advanced Scientific Computing Research; DOE Office of Biological and Environmental Research [DE-AC0205CH11231]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; [DE-SC0008700] FX Authors from Lawrence Berkeley National Laboratory were supported by the Applied Mathematics and Computer Science Programs of the DOE Office of Advanced Scientific Computing Research and the DOE Office of Biological and Environmental Research under contract number DE-AC0205CH11231. The first author is also supported by the grant DE-SC0008700. 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 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 437 EP 448 DI 10.1109/SC.2014.41 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400036 ER PT S AU Zounmevo, JA Zhao, X Balaji, P Gropp, W Afsahi, A AF Zounmevo, Judicael A. Zhao, Xin Balaji, Pavan Gropp, William Afsahi, Ahmad GP IEEE TI Nonblocking Epochs in MPI One-Sided Communication SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE MPI; one-sided; RMA; nonblocking synchronizations; latency propagation ID INEFFICIENCY PATTERNS; IMPLEMENTATION AB The synchronization model of the MPI one-sided communication paradigm can lead to serialization and latency propagation. For instance, a process can propagate non-RMA communication-related latencies to remote peers waiting in their respective epoch-closing routines in matching epochs. In this work, we discuss six latency issues that were documented for MPI-2.0 and show how they evolved in MPI-3.0. Then, we propose entirely nonblocking RMA synchronizations that allow processes to avoid waiting even in epoch-closing routines. The proposal provides contention avoidance in communication patterns that require back to back RMA epochs. It also fixes the latency propagation issues. Moreover, it allows the MPI progress engine to orchestrate aggressive schedulings to cut down the overall completion time of sets of epochs without introducing memory consistency hazards. Our test results show noticeable performance improvements for a lower-upper matrix decomposition as well as an application pattern that performs massive atomic updates. C1 [Zounmevo, Judicael A.; Afsahi, Ahmad] Queens Univ, Kingston, ON, Canada. [Zhao, Xin; Gropp, William] Univ Illinois, Champaign, IL 61801 USA. [Balaji, Pavan] Argonne Natl Lab, Argonne, IL 60439 USA. RP Zounmevo, JA (reprint author), Queens Univ, Kingston, ON, Canada. EM judicael.zounmevo@queensu.ca; xinzhao3@illinois.edu; balaji@mcs.anl.gov; wgropp@illinois.edu; ahmad.afsahi@queensu.ca FU Natural Sciences and Engineering Research Council of Canada [RGPIN/2389642011]; Canada Foundation for Innovation Trust; Ontario Innovation Trust [7154]; U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research [DE-AC02-06CH11357, DE-FG02-08ER25835, DE-SC0004131] FX This work was supported by the Natural Sciences and Engineering Research Council of Canada Grant #RGPIN/2389642011, Canada Foundation for Innovation and Ontario Innovation Trust Grant #7154. We thank Mellanox Technologies for the resources. This work was also supported by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research, under Contracts DE-AC02-06CH11357, DE-FG02-08ER25835, and DE-SC0004131. We thank Argonne National Laboratory for the use of the LCRC Fusion cluster. NR 18 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 475 EP 486 DI 10.1109/SC.2014.44 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400039 ER PT S AU Chen, ZZ Dinan, J Tang, Z Balaji, P Zhong, H Wei, J Huang, T Qin, F AF Chen, Zhezhe Dinan, James Tang, Zhen Balaji, Pavan Zhong, Hua Wei, Jun Huang, Tao Qin, Feng GP IEEE TI MC-Checker: Detecting Memory Consistency Errors in MPI One-Sided Applications SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE Design; Performance; Reliability; Bug Detection; MPI; One-Sided Communication AB One-sided communication decouples data movement and synchronization by providing support for asynchronous reads and updates of distributed shared data. While such interfaces can be extremely efficient, they also impose challenges in properly performing asynchronous accesses to shared data. This paper presents MC-Checker, a new tool that detects memory consistency errors in MPI one-sided applications. MC-Checker first performs online instrumentation and captures relevant dynamic events, such as one-sided communications and load/store operations. MC-Checker then performs analysis to detect memory consistency errors. When found, errors are reported along with useful diagnostic information. Experiments indicate that MC-Checker is effective at detecting and diagnosing memory consistency bugs in MPI one-sided applications, with low overhead, ranging from 24.6% to 71.1%, with an average of 45.2%. C1 [Chen, Zhezhe] Twitter Inc, San Francisco, CA 94103 USA. [Tang, Zhen; Zhong, Hua; Wei, Jun; Huang, Tao] Chinese Acad Sci, Inst Software, Technol Ctr Software Engn, Beijing 100864, Peoples R China. [Dinan, James] Intel Corp, Santa Clara, CA 95051 USA. [Balaji, Pavan] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Qin, Feng] Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. [Chen, Zhezhe] Ohio State Univ, Columbus, OH 43210 USA. RP Chen, ZZ (reprint author), Twitter Inc, San Francisco, CA 94103 USA. EM zhezhec@twitter.com; james.dinan@intel.com; tangzhen12@otcaix.iscas.ac.cn; balaji@mcs.anl.gov; zhongh@otcaix.iscas.ac.cn; wj@otcaix.iscas.ac.cn; tao@otcaix.iscas.ac.cn; qin@cse.ohio-state.edu FU U.S. NSF grants [CCF-0953759, CCF-1218358, CCF-1319705]; U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research [DE-AC02-06CH11357]; CAS/SAFEA International Partnership Program for Creative Research Teams FX We thank the anonymous reviewers for invaluable feedback. This work was supported in part by the U.S. NSF grants #CCF-0953759 (CAREER Award), #CCF-1218358, and #CCF-1319705, by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research, under Contract DE-AC02-06CH11357, by an allocation of computing time from the Ohio Supercomputer Center, and by the CAS/SAFEA International Partnership Program for Creative Research Teams. NR 31 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 499 EP 510 DI 10.1109/SC.2014.46 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400041 ER PT S AU Pearce, R Gokhale, M Amato, NM AF Pearce, Roger Gokhale, Maya Amato, Nancy M. GP IEEE TI Faster Parallel Traversal of Scale Free Graphs at Extreme Scale with Vertex Delegates SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC AB At extreme scale, irregularities in the structure of scale-free graphs such as social network graphs limit our ability to analyze these important and growing datasets. A key challenge is the presence of high-degree vertices (hubs), that leads to parallel workload and storage imbalances. The imbalances occur because existing partitioning techniques are not able to effectively partition high-degree vertices. We present techniques to distribute storage, computation, and communication of hubs for extreme scale graphs in distributed memory supercomputers. To balance the hub processing workload, we distribute hub data structures and related computation among a set of delegates. The delegates coordinate using highly optimized, yet portable, asynchronous broadcast and reduction operations. We demonstrate scalability of our new algorithmic technique using Breadth-First Search (BFS), Single Source Shortest Path (SSSP), K-Core Decomposition, and Page-Rank on synthetically generated scale-free graphs. Our results show excellent scalability on large scale-free graphs up to 131K cores of the IBM BG/P, and outperform the best known Graph500 performance on BG/P Intrepid by 15%. C1 [Pearce, Roger; Gokhale, Maya] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. [Amato, Nancy M.] Texas A&M Univ, Dept Comp Sci & Engr, Parasol Lab, College Stn, TX USA. RP Pearce, R (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. EM rpearce@llnl.gov; maya@llnl.gov; amato@cse.tamu.edu FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-CONF-658291]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357]; NSF [CNS-0551685, CCF-0833199, CCF-0830753, IIS-0917266]; DOE awards [DE-AC02-06CH11357, DE-NA0002376 B575363]; Samsung; King Abdullah University of Science and Technology (KAUST) [KUS-C1-016-04]; Lawrence Scholar fellowship at LLNL; [LDRD 13-ERD-025] FX This work was partially performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 (LLNL-CONF-658291). Funding was partially provided by LDRD 13-ERD-025. Portions of experiments were performed at the Livermore Computing facility. This research used resources of the Argonne Leadership Computing Facility (ALCF) at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357. ALCF resources provided through an INCITE 2012 award for the Fault-Oblivious Exascale Computing Environment project. This research supported in part by NSF awards CNS-0551685, CCF-0833199, CCF-0830753, IIS-0917266, by DOE awards DE-AC02-06CH11357, DE-NA0002376 B575363, by Samsung, by Award KUS-C1-016-04, made by King Abdullah University of Science and Technology (KAUST). Pearce was supported in part by a Lawrence Scholar fellowship at LLNL. NR 24 TC 2 Z9 2 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 549 EP 559 DI 10.1109/SC.2014.50 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400045 ER PT S AU Patwary, MMA Satish, N Sundaram, N Manne, F Habib, S Dubey, P AF Patwary, Md. Mostofa Ali Satish, Nadathur Sundaram, Narayanan Manne, Fredrik Habib, Salman Dubey, Pradeep GP IEEE TI PARDICLE: Parallel Approximate Density-based Clustering SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE Density based clustering; approximate clustering algorithm; Union-Find algorithm; Disjoint-set data structure ID GALAXY FORMATION; DBSCAN; ALGORITHM; COSMOLOGY AB DBSCAN is a widely used isodensity-based clustering algorithm for particle data well-known for its ability to isolate arbitrarily-shaped clusters and to filter noise data. The algorithm is super-linear (O(nlogn)) and computationally expensive for large datasets. Given the need for speed, we propose a fast heuristic algorithm for DBSCAN using density based sampling, which performs equally well in quality compared to exact algorithms, but is more than an order of magnitude faster. Our experiments on astrophysics and synthetic massive datasets (8.5 billion numbers) shows that our approximate algorithm is up to 56x faster than exact algorithms with almost identical quality (Omega-Index >= 0.99). We develop a new parallel DBSCAN algorithm, which uses dynamic partitioning to improve load balancing and locality. We demonstrate near-linear speedup on shared memory (15x using 16 cores, single node Intel (R) Xeon (R) processor) and distributed memory (3917x using 4096 cores, multinode) computers, with 2x additional performance improvement using Intel (R) Xeon Phi (TM) coprocessors. Additionally, existing exact algorithms can achieve up to 3.4 times speedup using dynamic partitioning. C1 [Patwary, Md. Mostofa Ali; Satish, Nadathur; Sundaram, Narayanan; Dubey, Pradeep] Intel, Parallel Comp Lab, Santa Clara, CA 95052 USA. [Manne, Fredrik] Univ Bergen, N-5020 Bergen, Norway. [Habib, Salman] Argonne Natl Lab, Argonne, IL 60439 USA. RP Patwary, MMA (reprint author), Intel, Parallel Comp Lab, Santa Clara, CA 95052 USA. EM mostofa.ali.patwary@intel.com NR 52 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 560 EP 571 DI 10.1109/SC.2014.51 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400046 ER PT S AU Michalak, SE Rust, WN Daly, JT DuBois, AJ DuBois, DH AF Michalak, Sarah E. Rust, William N. Daly, John T. DuBois, Andrew J. DuBois, David H. GP IEEE TI Correctness Field Testing of Production and Decommissioned High Performance Computing Platforms at Los Alamos National Laboratory SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE Cluster computing; field testing; high performance computing; HPC cluster; interconnect testing; intermittent error; Linpack; resilience; silent data corruption; soft error; transient error ID MICROPROCESSORS; SUPERCOMPUTER; MECHANISMS; VALIDATION; HARDWARE AB Silent Data Corruption (SDC) can threaten the integrity of scientific calculations performed on high performance computing (HPC) platforms and other systems. To characterize this issue, correctness field testing of HPC platforms at Los Alamos National Laboratory was performed. This work presents results for 12 platforms, including over 1,000 node-years of computation performed on over 8,750 compute nodes and over 260 petabytes of data transfers involving nearly 6,000 compute nodes, and relevant lessons learned. Incorrect results characteristic of transient errors and of intermittent errors were observed. These results are a key underpinning to resilience efforts as they provide signatures of incorrect results observed under field conditions. Five incorrect results consistent with a transient error mechanism were observed, suggesting that the effects of transient errors could be mitigated. However, the observed numbers of incorrect results consistent with an intermittent error mechanism suggest that intermittent errors could substantially effect computational correctness. C1 [Michalak, Sarah E.; Rust, William N.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87544 USA. [Daly, John T.] US Dept Def, Washington, DC 20305 USA. [DuBois, Andrew J.; DuBois, David H.] Los Alamos Natl Lab, Syst Integrat Grp, Los Alamos, NM USA. RP Michalak, SE (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87544 USA. EM michalak@lanl.gov; wnr@lanl.gov; jtdaly3@lps.umd.edu; ajd@lanl.gov; dhd@lanl.gov FU U.S. Department of Energy [DE-AC52-06NA25396]; United States Government FX This work has been authored by an employee of Los Alamos National Security, LLC, operator of the Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting this work for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce this work, or allow others to do so for United States Government purposes. Los Alamos National Laboratory strongly supports academic freedom and a researcher's right to publish; however, the Laboratory as an institution does not endorse the viewpoint of a publication or guarantee its technical correctness. This paper is published under LA-UR-14-20907. NR 29 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 609 EP 619 DI 10.1109/SC.2014.55 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400050 ER PT S AU Dorier, M Ibrahim, S Antoniu, G Ross, R AF Dorier, Matthieu Ibrahim, Shadi Antoniu, Gabriel Ross, Rob GP IEEE TI Omnisc'IO: A Grammar-Based Approach to Spatial and Temporal I/O Patterns Prediction SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE Exascale; HPC; Storage; I/O; Prediction; Grammar; Omnisc'IO AB The increasing gap between the computation performance of post-petascale machines and the performance of their I/O subsystem has motivated many I/O optimizations including prefetching, caching, and scheduling techniques. In order to further improve these techniques, modeling and predicting spatial and temporal I/O patterns of HPC applications as they run has became crucial. In this paper we present Omnisc'IO, an approach that builds a grammar-based model of the I/O behavior of HPC applications and uses it to predict when future I/O operations will occur, and where and how much data will be accessed. Omnisc'IO is transparently integrated into the POSIX and MPI I/O stacks and does not require any modification in applications or higher-level I/O libraries. It works without any prior knowledge of the application and converges to accurate predictions within a couple of iterations only. Its implementation is efficient in both computation time and memory footprint. C1 [Dorier, Matthieu] ENS, IRISA, Rennes, France. [Ibrahim, Shadi; Antoniu, Gabriel] Ctr Rennes Bretagne Atlanique, Inria, Rennes, France. [Ross, Rob] Argonne Natl Lab, Argonne, IL 60439 USA. RP Dorier, M (reprint author), ENS, IRISA, Rennes, France. EM matthieu.dorier@irisa.fr; shadi.ibrahim@inria.fr; gabriel.antoniu@inria.fr; rross@mcs.anl.gov FU U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research [DE-AC02-06CH11357] FX The present work benefited from the input of Gaelle Garet, from Inria Rennes, who provided valuable references on grammar inference. The authors also thank Gene Cooperman (Northwestern U.) and Gail Pieper (ANL) for their feedback on the paper. This work was done in the framework of a collaboration between the KerData joint Inria - ENS Rennes - Insa Rennes team and Argonne National Laboratory within the Joint INRIA-UIUC-ANL Laboratory for Petascale Computing. Experiments presented in this paper were carried out using the Grid5000 testbed, supported by a scientific interest group hosted by Inria and including CNRS, RENATER, and several Universities as well as other organizations (see http://www.grid5000.fr/). This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, under contract number DE-AC02-06CH11357. NR 29 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 623 EP 634 DI 10.1109/SC.2014.56 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400051 ER PT S AU Dai, D Chen, Y Kimpe, D Ross, R AF Dai, Dong Chen, Yong Kimpe, Dries Ross, Robert GP IEEE TI Two-Choice Randomized Dynamic I/O Scheduler for Object Storage Systems SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC AB Object storage is considered a promising solution for next-generation (exascale) high-performance computing platform because of its flexible and high-performance object interface. However, delivering high burst-write throughput is still a critical challenge. Although deploying more storage servers can potentially provide higher throughput, it can be ineffective because the burst-write throughput can be limited by a small number of stragglers (storage servers that are occasionally slower than others). In this paper, we propose a two-choice randomized dynamic I/O scheduler that schedules the concurrent burst-write operations in a balanced way to avoid stragglers and hence achieve high throughput. The contributions in this study are threefold. First, we propose a two-choice randomized dynamic I/O scheduler with collaborative probe and preassign strategies. Second, we design and implement a redirect table and metadata maintainer to address the metadata management challenge introduced by dynamic I/O scheduling. Third, we evaluate the proposed scheduler with both simulation tests and experimental tests in an HPC cluster. The evaluation results confirm the scalability and performance benefits of the proposed I/O scheduler. C1 [Dai, Dong; Chen, Yong] Texas Tech Univ, Dept Comp Sci, Lubbock, TX 79409 USA. [Kimpe, Dries; Ross, Robert] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Dai, D (reprint author), Texas Tech Univ, Dept Comp Sci, Lubbock, TX 79409 USA. EM dong.dai@ttu.edu; yong.chen@ttu.edu; dkimpe@mcs.anl.gov; rross@mcs.anl.gov FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]; National Science Foundation [CNS-1338078, CNS-1162488] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, under Contract No. DE-AC02-06CH11357, and by the National Science Foundation under grant CNS-1338078 and CNS-1162488. 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 34 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 635 EP 646 DI 10.1109/SC.2014.57 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400052 ER PT S AU Nomura, K Kalia, RK Nakano, A Vashishta, P Shimamura, K Shimojo, F Kunaseth, M Messina, PC Romero, NA AF Nomura, Ken-ichi Kalia, Rajiv K. Nakano, Aiichiro Vashishta, Priya Shimamura, Kohei Shimojo, Fuyuki Kunaseth, Manaschai Messina, Paul C. Romero, Nichols A. GP IEEE TI Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE Divide-and-conquer; Density functional theory; On-demand hydrogen production ID DENSITY-FUNCTIONAL THEORY; FAST MULTIPOLE METHOD; ELECTRONIC-STRUCTURE; PARALLEL COMPUTERS; SPLITTING WATER; ORBITAL METHOD; CONQUER METHOD; ALGORITHM; FRAGMENT; IMPLEMENTATION AB We enabled an unprecedented scale of quantum molecular dynamics simulations through algorithmic innovations. A new lean divide-and-conquer density functional theory algorithm significantly reduces the prefactor of the O(N) computational cost based on complexity and error analyses. A globally scalable and locally fast solver hybridizes a global real-space multigrid with local plane-wave bases. The resulting weak-scaling parallel efficiency was 0.984 on 786,432 IBM Blue Gene/Q cores for a 50.3 million-atom (39.8 trillion degrees-of-freedom) system. The time-to-solution was 60-times less than the previous state-of-the-art, owing to enhanced strong scaling by hierarchical band-space-domain decomposition and high floating-point performance (50.5% of the peak). Production simulation involving 16,661 atoms for 21,140 time steps (or 129,208 self-consistent-field iterations) revealed a novel nanostructural design for on-demand hydrogen production from water, advancing renewable energy technologies. This metascalable (or "design once, scale on new architectures") algorithm is used for broader applications within a recently proposed divide-conquer-recombine paradigm. C1 [Nomura, Ken-ichi; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya] Univ Southern Calif, Dept Chem Engn & Mat Sci, Dept Phys & Astron, Dept Comp Sci,Collaboratory Adv Comp & Simulat, Los Angeles, CA 90089 USA. [Shimamura, Kohei; Shimojo, Fuyuki] Kumamoto Univ, Dept Phys, Kumamoto 8608555, Japan. [Kunaseth, Manaschai] Natl Nanotechnol Ctr NANOTEC, Pathum Thani 12120, Thailand. [Messina, Paul C.; Romero, Nichols A.] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. RP Nomura, K (reprint author), Univ Southern Calif, Dept Chem Engn & Mat Sci, Dept Phys & Astron, Dept Comp Sci,Collaboratory Adv Comp & Simulat, Los Angeles, CA 90089 USA. EM knomura@usc.edu; rkalia@usc.edu; anakano@usc.edu; priyav@usc.edu; 143d9003@kumamoto-u.ac.jp; shimojo@kumamoto-u.ac.jp; manaschai@nanotec.or.th; messina@alcf.anl.gov; naromero@alcf.anl.gov FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division [DE-FG02-04ER-46130]; Office of Science of the U.S. DOE [DE-AC02-06CH11357] FX This research was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division, Grant # DE-FG02-04ER-46130. We used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. DOE under contract DE-AC02-06CH11357. The initial code development and the performance portability test were conducted at the Center for High-Performance Computing and Communication at the University of Southern California. We thank Dr. Bob Walkup of IBM for his help on performance monitoring and optimization, Dr. Franz Franchetti of Carnegie Mellon University and Dr. Brian Duff of SpiralGen for their help on the use of the Spiral FFT software, and Dr. Vitali A. Morozov of ALCF for his help on debugging our code on Mira. NR 84 TC 0 Z9 0 U1 1 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 661 EP 673 DI 10.1109/SC.2014.59 PG 13 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400054 ER PT S AU Apra, E Klemm, M Kowalski, K AF Apra, Edoardo Klemm, Michael Kowalski, Karol GP IEEE TI Efficient Implementation of Many-body Quantum Chemical Methods on the Intel (R) Xeon Phi (TM) Coprocessor SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE Chemistry; parallel algorithms; distributed architectures ID COUPLED-CLUSTER METHODS; FULL CCSDT MODEL; CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; ELECTRON CORRELATION; DOUBLES METHOD; WAVE-FUNCTIONS; SINGLES; SYSTEMS; 5TH-ORDER AB This paper presents the implementation and performance of the highly accurate CCSD(T) quantum chemistry method on the Intel (R) Xeon Phi (TM) coprocessor within the context of the NWChem computational chemistry package. The widespread use of highly correlated methods in electronic structure calculations is contingent upon the interplay between advances in theory and the possibility of utilizing the ever-growing computer power of emerging heterogeneous architectures. We discuss the design decisions of our implementation as well as the optimizations applied to the compute kernels and data transfers between host and coprocessor. We show the feasibility of adopting the Intel (R) Many Integrated Core Architecture and the Intel Xeon Phi coprocessor for developing efficient computational chemistry modeling tools. Remarkable scalability is demonstrated by benchmarks. Our solution scales up to a total of 62560 cores with the concurrent utilization of Intel (R) Xeon (R) processors and Intel Xeon Phi coprocessors. C1 [Apra, Edoardo; Kowalski, Karol] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Klemm, Michael] Intel Corp, Software & Serv Grp, Santa Clara, CA 95051 USA. RP Apra, E (reprint author), Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM edoardo.apra@pnnl.gov; michael.klemm@intel.com; karol.kowalski@pnnl.gov FU Department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory FX The research described here was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 51 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 674 EP 684 DI 10.1109/SC.2014.60 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400055 ER PT S AU Yu, L Li, D Mittal, S Vetter, JS AF Yu, Li Li, Dong Mittal, Sparsh Vetter, Jeffrey S. GP IEEE TI Quantitatively Modeling Application Resilience with the Data Vulnerability Factor SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC AB Recent strategies to improve the observable resilience of applications require the ability to classify vulnerabilities of individual components (e.g., data structures, instructions) of an application, and then, selectively apply protection mechanisms to its critical components. To facilitate this vulnerability classification, it is important to have accurate, quantitative techniques that can be applied uniformly and automatically across real-world applications. Traditional methods cannot effectively quantify vulnerability, because they lack a holistic view to examine system resilience, and come with prohibitive evaluation costs. In this paper, we introduce a data-driven, practical methodology to analyze these application vulnerabilities using a novel resilience metric: the data vulnerability factor (DVF). DVF integrates knowledge from both the application and target hardware into the calculation. To calculate DVF, we extend a performance modeling language to provide a structured, fast modeling solution. We evaluate our methodology on six representative computational kernels; we demonstrate the significance of DVF by quantifying the impact of algorithm optimization on vulnerability, and by quantifying the effectiveness of specific hardware protection mechanisms. C1 [Li, Dong; Mittal, Sparsh; Vetter, Jeffrey S.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Yu, Li] IIT, Chicago, IL 60616 USA. [Vetter, Jeffrey S.] Georgia Inst Technol, Atlanta, GA 30332 USA. RP Yu, L (reprint author), IIT, Chicago, IL 60616 USA. EM lyu17@iit.edu; lid1@ornl.gov; mittals@ornl.gov; vetter@ornl.gov NR 36 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 695 EP 706 DI 10.1109/SC.2014.62 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400057 ER PT S AU Kurt, MC Krishnamoorthy, S Agrawal, K Agrawal, G AF Kurt, Mehmet Can Krishnamoorthy, Sriram Agrawal, Kunal Agrawal, Gagan GP IEEE TI Fault-Tolerant Dynamic Task Graph Scheduling SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE dag; task graphs; cilk; work stealing; fault tolerance ID SYSTEMS; ALGORITHM AB In this paper, we present an approach to fault-tolerant execution of dynamic task graphs scheduled using work stealing. In particular, we focus on selective and localized recovery of tasks in the presence of soft faults. From users, we elicit the basic task graph structure in terms of successor and predecessor relationships. The work-stealing-based algorithm to schedule such a task graph is augmented to enable recovery when the data and metadata associated with a task get corrupted. We use this redundancy, and knowledge of the task graph structure, to selectively recover from faults with low space and time overheads. We show that the fault tolerant design retains the essential properties of the underlying work stealing-based task scheduling algorithm, and that the fault tolerant execution is asymptotically optimal when task re-execution is taken into account. Experimental evaluation demonstrates the low cost of recovery under various fault scenarios. C1 [Kurt, Mehmet Can; Agrawal, Gagan] Ohio State Univ, Columbus, OH 43210 USA. [Krishnamoorthy, Sriram] Pacific Northwest Natl Lab, Richland, WA 99352 USA. [Agrawal, Kunal] Washington Univ, St Louis, MO 63110 USA. RP Kurt, MC (reprint author), Ohio State Univ, Columbus, OH 43210 USA. EM kurt@cse.ohio-state.edu; sriram@pnnl.gov; kunal@cse.wustl.edu; agrawal@cse.ohio-state.edu FU U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research [63823]; NSF [CCF-1318420] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research under award number 63823. It also is partially supported by NSF award CCF-1318420 to the Ohio State University. NR 41 TC 2 Z9 2 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 719 EP 730 DI 10.1109/SC.2014.64 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400059 ER PT S AU Olschanowsky, C Strout, MM Guzik, S Loffeld, J Hittinger, J AF Olschanowsky, Catherine Strout, Michelle Mills Guzik, Stephen Loffeld, John Hittinger, Jeffrey GP IEEE TI A Study on Balancing Parallelism, Data Locality, and Recomputation in Existing PDE Solvers SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC ID ADAPTIVE MESH REFINEMENT; SCHEDULE AB Structured-grid PDE solver frameworks parallelize over boxes, which are rectangular domains of cells or faces in a structured grid. In the Chombo framework, the box sizes are typically 16(3) or 32(3), but larger box sizes such as 128(3) would result in less surface area and therefore less storage, copying, and/or ghost cells communication overhead. Unfortunately, current on-node parallelization schemes perform poorly for these larger box sizes. In this paper, we investigate 30 different inter-loop optimization strategies and demonstrate the parallel scaling advantages of some of these variants on NUMA multicore nodes. Shifted, fused, and communication-avoiding variants for 128(3) boxes result in close to ideal parallel scaling and come close to matching the performance of 16(3) boxes on three different multicore systems for a benchmark that is a proxy for program idioms found in Computational Fluid Dynamic (CFD) codes. C1 [Olschanowsky, Catherine; Strout, Michelle Mills] Colorado State Univ, Comp Sci, Ft Collins, CO 80523 USA. [Guzik, Stephen] Colorado State Univ, Mech Engn, Ft Collins, CO 80523 USA. [Loffeld, John; Hittinger, Jeffrey] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA USA. RP Olschanowsky, C (reprint author), Colorado State Univ, Comp Sci, Ft Collins, CO 80523 USA. FU U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research Program [DE-SC-04030, DE-SC-0003956]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; NSF [CNS-0923386] FX We would like to thank Brian Van Straalen for discussions about this work and answering questions about Chombo. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research Program under Award Numbers DE-SC-04030 and DE-SC-0003956 and in part prepared by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This research utilized the CSU ISTeC Cray HPC System supported by NSF Grant CNS-0923386. NR 49 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 793 EP 804 DI 10.1109/SC.2014.70 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400065 ER PT S AU Ben, CM Fourestey, G Fuhrer, O Gysi, T Fatica, M Schulthess, TC AF Ben Cumming Fourestey, Gilles Fuhrer, Oliver Gysi, Tobias Fatica, Massimiliano Schulthess, Thomas C. GP IEEE TI Application centric energy-efficiency study of distributed multi-core and hybrid CPU-GPU systems SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC AB We study the energy used by a production-level regional climate and weather simulation code on a distributed memory system with hybrid CPU-GPU nodes. The code is optimised for both processor architectures, for which we investigate both time and energy to solution. Operational constraints for time to solution can be met with both processor types, although on different numbers of nodes. Energy to solution is a factor 3 lower with GPUs, but strong scaling can be pushed to larger node counts with CPUs to minimize time to solution. Our data shows that an affine relationship exists between energy and node-hours consumed by the simulation. We use this property to devise a simple and practical methodology for optimising for energy efficiency that can be applied to other applications, which we demonstrate with the HPCG benchmark. We conclude with a discussion about the relationship to the commonly-used GF/Watt metric. C1 [Ben Cumming; Fourestey, Gilles; Schulthess, Thomas C.] Swiss Fed Inst Technol, Swiss Natl Supercomp Ctr, CH-6900 Lugano, Switzerland. [Fuhrer, Oliver] Fed Off Meteorol & Climatol MeteoSwiss, CH-8048 Zurich, Switzerland. [Gysi, Tobias] Swiss Fed Inst Technol, Dept Comp Sci, CH-8092 Zurich, Switzerland. [Fatica, Massimiliano] NVIDIA Corp, Santa Clara, CA 95050 USA. [Schulthess, Thomas C.] Swiss Fed Inst Technol, Inst Theoret Phys, CH-8093 Zurich, Switzerland. [Schulthess, Thomas C.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37830 USA. RP Ben, CM (reprint author), Swiss Fed Inst Technol, Swiss Natl Supercomp Ctr, CH-6900 Lugano, Switzerland. NR 21 TC 0 Z9 0 U1 2 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 819 EP 829 DI 10.1109/SC.2014.72 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400067 ER PT S AU Lifflander, J Krishnamoorthy, S Kale, LV AF Lifflander, Jonathan Krishnamoorthy, Sriram Kale, Laxmikant V. GP IEEE TI Optimizing Data Locality for Fork/Join Programs Using Constrained Work Stealing SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE fork/join; cilk; data locality; task granularity ID OPENMP AB We present an approach to improving data locality across different phases of fork/join programs scheduled using work stealing. The approach consists of: (1) user-specified and automated approaches to constructing a steal tree, the schedule of steal operations, and (2) constrained work-stealing algorithms that constrain the actions of the scheduler to mirror a given steal tree. These are combined to construct work-stealing schedules that maximize data locality across computation phases while ensuring load balance within each phase. These algorithms are also used to demonstrate dynamic coarsening, an optimization to improve spatial locality and sequential overheads by combining many finer-grained tasks into coarser tasks while ensuring sufficient concurrency for locality-optimized load balance. Implementation and evaluation in Cilk demonstrate performance improvements of up to 2.5x on 80 cores. We also demonstrate that dynamic coarsening can combine the performance benefits of coarse task specification with the adaptability of finer tasks. C1 [Lifflander, Jonathan; Kale, Laxmikant V.] Univ Illinois, Dept Comp Sci, 1304 W Springfield Ave, Urbana, IL 61801 USA. [Krishnamoorthy, Sriram] Pacific Northwest Natl Lab, Adv Comp Math & Data Div, Richland, WA 99352 USA. RP Lifflander, J (reprint author), Univ Illinois, Dept Comp Sci, 1304 W Springfield Ave, Urbana, IL 61801 USA. EM jliffl2@illinois.edu; sriram@pnnl.gov; kale@illinois.edu FU U.S. Department of Energy; Office of Science; Office of Advanced Scientific Computing Research [63823] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research under contract number 63823. The research was performed using PNNL Institutional Computing at Pacific Northwest National Laboratory. NR 36 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 857 EP 868 DI 10.1109/SC.2014.75 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400070 ER PT S AU Ferreira, KB Widener, P Levy, S Arnold, D Hoefler, T AF Ferreira, Kurt B. Widener, Patrick Levy, Scott Arnold, Dorian Hoefler, Torsten GP IEEE TI Understanding the Effects of Communication and Coordination on Checkpointing at Scale SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC ID PARALLEL COMPUTATION; ALGORITHMS; MODEL AB Fault-tolerance poses a major challenge for future large-scale systems. Active research into coordinated, uncoordinated, and hybrid checkpointing systems has explored how the introduction of asynchrony can address anticipated scalability issues. However, few insights into selection and tuning of these protocols for applications at scale have emerged. In this paper, we use a simulation-based approach to show that local checkpoint activity in resilience mechanisms can significantly affect the performance of key workloads, even when less than 1% of a local node's compute time is allocated to resilience mechanisms (a very generous assumption). Specifically, we show that even though much work on uncoordinated checkpointing has focused on optimizing message log volumes, local checkpointing activity may dominate the overheads of this technique at scale. Our study shows that local checkpoints lead to process delays that can propagate through messaging relations to other processes causing a cascading series of delays. We demonstrate how to tune hierarchical uncoordinated checkpointing protocols designed to reduce log volumes to significantly reduce these synchronization overheads at scale. Our work provides a critical analysis and comparison of coordinated and uncoordinated checkpointing and enables users and system administrators to fine-tune the checkpointing scheme to the application and system characteristics. C1 [Ferreira, Kurt B.; Widener, Patrick] Sandia Natl Labs, Scalable Syst Software, POB 5800, Albuquerque, NM 87185 USA. [Levy, Scott; Arnold, Dorian] Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. [Hoefler, Torsten] Swiss Fed Inst Technol, Dept Comp Sci, Zurich, Switzerland. RP Ferreira, KB (reprint author), Sandia Natl Labs, Scalable Syst Software, POB 5800, Albuquerque, NM 87185 USA. EM kbferre@sandia.gov; pwidene@sandia.gov; slevy@cs.unm.edu; darnold@cs.unm.edu; htor@inf.ethz.ch 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 37 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 883 EP 894 DI 10.1109/SC.2014.77 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400072 ER PT S AU Gamell, M Katz, DS Kolla, H Chen, J Klasky, S Parashar, M AF Gamell, Marc Katz, Daniel S. Kolla, Hemanth Chen, Jacqueline Klasky, Scott Parashar, Manish GP IEEE TI Exploring Automatic, Online Failure Recovery for Scientific Applications at Extreme Scales SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC ID EXASCALE SOFTWARE PROJECT; SYSTEMS AB Application resilience is a key challenge that must be addressed in order to realize the exascale vision. Process/node failures, an important class of failures, are typically handled today by terminating the job and restarting it from the last stored checkpoint. This approach is not expected to scale to exascale. In this paper we present Fenix, a framework for enabling recovery from process/node/blade/cabinet failures for MPI-based parallel applications in an online (i.e., without disrupting the job) and transparent manner. Fenix provides mechanisms for transparently capturing failures, re-spawning new processes, fixing failed communicators, restoring application state, and returning execution control back to the application. To enable automatic data recovery, Fenix relies on application-driven, diskless, implicitly-coordinated checkpointing. Using the S3D combustion simulation running on the Titan Cray-XK7 production system at ORNL, we experimentally demonstrate Fenix's ability to tolerate high failure rates (e.g., more than one per minute) with low overhead while sustaining performance. C1 [Gamell, Marc; Parashar, Manish] Rutgers State Univ, NSF Cloud & Auton Comp Ctr, Piscataway, NJ 08854 USA. [Gamell, Marc; Parashar, Manish] Rutgers State Univ, Rutgers Discovery Informat Inst, Piscataway, NJ 08854 USA. [Katz, Daniel S.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Katz, Daniel S.] Argonne Natl Lab, Chicago, IL 60637 USA. [Kolla, Hemanth] Sandia Natl Labs, Scalable Modeling & Anal Dept, Livermore, CA USA. [Chen, Jacqueline] Sandia Natl Labs, Combust Res Facil, Livermore, CA USA. [Klasky, Scott] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Gamell, M (reprint author), Rutgers State Univ, NSF Cloud & Auton Comp Ctr, Piscataway, NJ 08854 USA. EM mgamell@cac.rutgers.edu; d.katz@ieee.org; hnkolla@sandia.gov; jhchen@sandia.gov; klasky@ornl.gov; parashar@cac.rutgers.edu FU NSF [ACI 1339036]; DoE RSVP grant from UT Battelle [4000126989]; ORLCF at the ORNL; NSF; ExaCT Center for Exascale Simulation of Combustion in Turbulence - US DoE FX The research was conducted as part of the NSF CAC Center at Rutgers University and RDI2. It was supported by the NSF via grant number ACI 1339036, by the DoE RSVP grant via subcontract number 4000126989 from UT Battelle, and used resources of the ORLCF at the ORNL. Work by Katz was supported by the NSF. Any opinion, finding, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the NSF. Support for this work was provided through ExaCT Center for Exascale Simulation of Combustion in Turbulence funded by US DoE. NR 59 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 895 EP 906 DI 10.1109/SC.2014.78 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400073 ER PT S AU Di, S Bautista-Gomez, L Cappello, F AF Di, Sheng Bautista-Gomez, Leonardo Cappello, Franck GP IEEE TI Optimization of a Multilevel Checkpoint Model with Uncertain Execution Scales SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC AB Future extreme-scale systems are expected to experience different types of failures affecting applications with different failure scales, from transient uncorrectable memory errors in processes to massive system outages. In this paper, we propose a multilevel checkpoint model by taking into account uncertain execution scales (different numbers of processes/cores). The contribution is threefold: (1) we provide an in-depth analysis on why it is difficult to derive the optimal checkpoint intervals for different checkpoint levels and optimize the number of cores simultaneously; (2) we devise a novel method that can quickly obtain an optimized solution-the first successful attempt in multilevel checkpoint models with uncertain scales; and (3) we perform both large-scale real experiments and extreme-scale numerical simulation to validate the effectiveness of our design. The experiments confirm that our optimized solution outperforms other state-of- the-art solutions by 4.3-88% on wall-clock length. C1 [Di, Sheng] INRIA, Rocquencourt, France. [Di, Sheng; Bautista-Gomez, Leonardo; Cappello, Franck] Argonne Natl Lab, Argonne, IL 60439 USA. [Cappello, Franck] Univ Illinois, Urbana, IL USA. RP Di, S (reprint author), INRIA, Rocquencourt, France. EM sdi1@anl.gov; leobago@anl.gov; cappello@anl.gov FU PRACE First implementation Phase (PRACE-1IP) as the AMFT prototype [RI-261557]; GENCI; U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research Program [DE-AC02-06CH11357]; ANR RESCUE; ANR G8 ECS projects; INRIA-Illinois Joint Laboratory for Petascale Computing FX This work was supported by PRACE First implementation Phase (PRACE-1IP) as the AMFT prototype under contract RI-261557 and by GENCI, also in part by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research Program, under Contract DE-AC02-06CH11357, and by the ANR RESCUE, ANR G8 ECS projects and the INRIA-Illinois Joint Laboratory for Petascale Computing. NR 31 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 907 EP 918 DI 10.1109/SC.2014.79 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400074 ER PT S AU Yamazaki, I Rajamanickam, S Boman, EG Hoemmen, M Heroux, MA Tomov, S AF Yamazaki, Ichitaro Rajamanickam, Sivasankaran Boman, Erik G. Hoemmen, Mark Heroux, Michael A. Tomov, Stanimire GP IEEE TI Domain Decomposition Preconditioners for Communication-Avoiding Krylov Methods on a Hybrid CPU/GPU Cluster SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC ID LINEAR-SYSTEMS; IMPLEMENTATION; GMRES AB Krylov subspace projection methods are widely used iterative methods for solving large-scale linear systems of equations. Researchers have demonstrated that communication-avoiding (CA) techniques can improve Krylov methods' performance on modern computers, where communication is becoming increasingly expensive compared to arithmetic operations. In this paper, we extend these studies by two major contributions. First, we present our implementation of a CA variant of the Generalized Minimum Residual (GMRES) method, called CA-GMRES, for solving nonsymmetric linear systems of equations on a hybrid CPU/GPU cluster. Our performance results on up to 120 GPUs show that CA-GMRES gives a speedup of up to 2.5x in total solution time over standard GMRES on a hybrid cluster with twelve Intel Xeon CPUs and three Nvidia Fermi GPUs on each node. We then outline a domain decomposition framework to introduce a family of preconditioners that are suitable for CA Krylov methods. Our preconditioners do not incur any additional communication and allow the easy reuse of existing algorithms and software for the subdomain solves. Experimental results on the hybrid CPU/GPU cluster demonstrate that CA-GMRES with preconditioning achieve a speedup of up to 7.4x over CA-GMRES without preconditioning, and speedup of up to 1.7x over GMRES with preconditioning in total solution time. These results confirm the potential of our framework to develop a practical and effective preconditioned CA Krylov method. C1 [Yamazaki, Ichitaro; Tomov, Stanimire] Univ Tennessee, Knoxville, TN 37996 USA. [Rajamanickam, Sivasankaran; Boman, Erik G.; Hoemmen, Mark; Heroux, Michael A.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Yamazaki, I (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM iyamazak@eecs.utk.edu; srajama@sandia.gov; egboman@sandia.gov; mhoemme@sandia.gov; maherou@sandia.gov; tomov@eecs.utk.edu FU U.S. Department of Energy (DOE), Office of Science, Office of Advanced Scientific Computing Research (ASCR); DOE [DE-SC0010042]; NSF [SI2-SSI-1339822, OCI-0910735]; DOE MAGMA - Office of Science Grant [DE-SC0004983]; DOE's National Nuclear Security Administration [DE-AC04-94AL85000] FX This material is based upon work supported by the U.S. Department of Energy (DOE), Office of Science, Office of Advanced Scientific Computing Research (ASCR). This research was supported in part by DOE Grant # DE-SC0010042: " Extreme-scale Algorithms & Solver Resilience (EASIR)," NSF SI2-SSI-1339822 "Sustained Innovation for Linear Algebra Software (SILAS)," and DOE MAGMA - Office of Science Grant # DE-SC0004983, "Matrix Algebra for GPU & Multicore Architectures (MAGMA) for Large Petascale Systems." The NSF supports the Keeneland Computing Facility at the GIT under Contract OCI-0910735. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 19 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 933 EP 944 DI 10.1109/SC.2014.81 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400076 ER PT S AU Peterka, T Morozov, D Phillips, C AF Peterka, Tom Morozov, Dmitriy Phillips, Carolyn GP IEEE TI High-Performance Computation of Distributed-Memory Parallel 3D Voronoi and Delaunay Tessellation SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE computational geometry; Voronoi; Delaunay tessellation ID ALGORITHM; COSMOLOGY; CODE AB Computing a Voronoi or Delaunay tessellation from a set of points is a core part of the analysis of many simulated and measured datasets: N-body simulations, molecular dynamics codes, and LIDAR point clouds are just a few examples. Such computational geometry methods are common in data analysis and visualization; but as the scale of simulations and observations surpasses billions of particles, the existing serial and shared-memory algorithms no longer suffice. A distributed-memory scalable parallel algorithm is the only feasible approach. The primary contribution of this paper is a new parallel Delaunay and Voronoi tessellation algorithm that automatically determines which neighbor points need to be exchanged among the sub-domains of a spatial decomposition. Other contributions include periodic and wall boundary conditions, comparison of our method using two popular serial libraries, and application to numerous science datasets. C1 [Peterka, Tom; Phillips, Carolyn] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Morozov, Dmitriy] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Peterka, T (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM tpeterka@mcs.anl.gov; dmitriy@mrzv.org; cphillips@anl.gov FU Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357, DE-AC02-05CH11231]; DOE [DE-FC02-06ER25777] FX We gratefully acknowledge the use of the resources of the Argonne Leadership Computing Facility (ALCF) and the National Energy Research Scientific Computing Center (NERSC). We are especially grateful to Salman Habib, Katrin Heitmann, Hal Finkel, and Adrian Pope of the HACC team at Argonne for the use of their data; George Zagaris of Kitware for use of his HACC GenericIO library; Zarija Lukic of LBNL for the Nyx data; Prabhat, Suren Byna, and Kuan-Wu Lin for assistance with VPIC data; Wei-keng Liao of Northwestern University for assistance converting the in-memory data model to pnetCDF; and Gurdamen Khaira, Jian Qin, Juan De Pablo, and Ryan Marson for providing data for molecular dynamics. This work was supported by Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contracts DE-AC02-06CH11357 and DE-AC02-05CH11231. Work is also supported by DOE with agreement No. DE-FC02-06ER25777. NR 35 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 997 EP 1007 DI 10.1109/SC.2014.86 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400081 ER PT S AU Lu, KW Shen, HW Peterka, T AF Lu, Kewei Shen, Han-Wei Peterka, Tom GP IEEE TI Scalable Computation of Stream Surfaces on Large Scale Vector Fields SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE Algorithms; Flow Visualization; Parallel stream surface; Dynamic load balancing ID GENERATION AB Stream surfaces and streamlines are two popular methods for visualizing three-dimensional flow fields. While several parallel streamline computation algorithms exist, relatively little research has been done to parallelize stream surface generation. This is because load-balanced parallel stream surface computation is nontrivial, due to the strong dependency in computing the positions of the particles forming the stream surface front. In this paper, we present a new algorithm that computes stream surfaces efficiently. In our algorithm, seeding curves are divided into segments, which are then assigned to the processes. Each process is responsible for integrating the segments assigned to it. To ensure a balanced computational workload, work stealing and dynamic refinement of seeding curve segments are employed to improve the overall performance. We demonstrate the effectiveness of our parallel stream surface algorithm using several large scale flow field data sets, and show the performance and scalability on HPC systems. C1 [Lu, Kewei; Shen, Han-Wei] Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. [Peterka, Tom] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Lu, KW (reprint author), Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. EM luke@cse.ohio-state.edu; hwshen@cse.ohio-state.edu; tpeterka@mcs.anl.gov FU NSF [IIS-1017635, IIS-1250752]; US Department of Energy [DOE-SC0005036]; Battelle [137365]; Department of Energy SciDAC [DE-FC02-06ER25779]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357] FX The authors would like to thank the anonymous reviewers for their comments. The data sets used in the paper are courtesy of John Clyne (Plume), Samson Hagos and Ruby Leung (MJO), Aleksandr Obabko and Paul Fischer (Nek) and W. Wang, C. Bruyere, B. Kuo, and others (Isabel). This work was supported in part by NSF grant IIS-1017635, NSF grant IIS-1250752, US Department of Energy DOE-SC0005036, Battelle Contract No. 137365, and Department of Energy SciDAC grant DE-FC02-06ER25779, program manager Lucy Nowell. This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-06CH11357. NR 29 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 1008 EP 1019 DI 10.1109/SC.2014.87 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400082 ER PT S AU Landge, AG Pascucci, V Gyulassy, A Bennett, JC Kolla, H Chen, J Bremer, PT AF Landge, Aaditya G. Pascucci, Valerio Gyulassy, Attila Bennett, Janine C. Kolla, Hemanth Chen, Jacqueline Bremer, Peer-Timo GP IEEE TI In-Situ Feature Extraction of Large Scale Combustion Simulations Using Segmented Merge Trees SO SC14: INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS SE International Conference for High Performance Computing Networking Storage and Analysis LA English DT Proceedings Paper CT International Conference on High Performance Computing, Networking, Storage and Analysis CY NOV 16-21, 2014 CL New Orleans, LA SP Assoc Comp Machinery, IEEE Comp Soc, SIGARCH, SIGHPC DE topological data analysis; feature extraction; in situ analysis; merge tree computation; segmented merge tree AB The ever increasing amount of data generated by scientific simulations coupled with system I/O constraints are fueling a need for in-situ analysis techniques. Of particular interest are approaches that produce reduced data representations while maintaining the ability to redefine, extract, and study features in a post-process to obtain scientific insights. This paper presents two variants of in-situ feature extraction techniques using segmented merge trees, which encode a wide range of threshold based features. The first approach is a fast, low communication cost technique that generates an exact solution but has limited scalability. The second is a scalable, local approximation that nevertheless is guaranteed to correctly extract all features up to a predefined size. We demonstrate both variants using some of the largest combustion simulations available on leadership class supercomputers. Our approach allows state-of-the-art, feature-based analysis to be performed in-situ at significantly higher frequency than currently possible and with negligible impact on the overall simulation runtime. C1 [Landge, Aaditya G.; Pascucci, Valerio; Gyulassy, Attila; Bremer, Peer-Timo] Univ Utah, SCI Inst, Salt Lake City, UT 84112 USA. [Bennett, Janine C.; Kolla, Hemanth; Chen, Jacqueline] Lawrence Livermore Natl Lab, Livermore, CA USA. [Bremer, Peer-Timo] Sandia Natl Labs, Livermore, CA USA. RP Landge, AG (reprint author), Univ Utah, SCI Inst, Salt Lake City, UT 84112 USA. FU Department of Energy Office of Advanced Scientific Computing Research; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725, DE-AC02-05CH11231]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; BNSF CISE [ACI-0904631]; NSG [IIS-1045032]; NSF EFT [ACI-0906379]; DOE/NEUP [120341]; DOE/Codesign [P01180734]; DOE/SciDAC [DESC0007446]; CCMSC [DE-NA0002375]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344 (LLNL-PROC-657419)] FX This research was supported by the Department of Energy Office of Advanced Scientific Computing Research. This research used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. 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. 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 authors wish to thank the members of the the ExaCT Center for Exascale Simulation of Combustion in Turbulence for useful discussions and support. This work is supported in part by BNSF CISE ACI-0904631, NSG IIS-1045032, NSF EFT ACI-0906379, DOE/NEUP 120341, DOE/Codesign P01180734, DOE/SciDAC DESC0007446, and CCMSC DE-NA0002375.; This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 (LLNL-PROC-657419). NR 42 TC 1 Z9 1 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2167-4329 BN 978-1-4799-5500-8 J9 INT CONF HIGH PERFOR PY 2014 BP 1020 EP 1031 DI 10.1109/SC.2014.88 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BG9OH UT WOS:000393484400083 ER PT J AU Aevermann, BD Pickett, BE Kumar, S Klem, EB Agnihothram, S Askovich, PS Bankhead, A Bolles, M Carter, V Chang, J Clauss, TRW Dash, P Diercks, AH Eisfeld, AJ Ellis, A Fan, SF Ferris, MT Gralinski, LE Green, RR Gritsenko, MA Hatta, M Heegel, RA Jacobs, JM Jeng, S Josset, L Kaiser, SM Kelly, S Law, GL Li, CJ Li, JN Long, C Luna, ML Matzke, M McDermott, J Menachery, V Metz, TO Mitchell, H Monroe, ME Navarro, G Neumann, G Podyminogin, RL Purvine, SO Rosenberger, CM Sanders, CJ Schepmoes, AA Shukla, AK Sims, A Sova, P Tam, VC Tchitchek, N Thomas, PG Tilton, SC Totura, A Wang, J Webb-Robertson, BJ Wen, J Weiss, JM Yang, F Yount, B Zhang, QB McWeeney, S Smith, RD Waters, KM Kawaoka, Y Baric, R Aderem, A Katze, MG Scheuermann, RH AF Aevermann, Brian D. Pickett, Brett E. Kumar, Sanjeev Klem, Edward B. Agnihothram, Sudhakar Askovich, Peter S. Bankhead, Armand, III Bolles, Meagen Carter, Victoria Chang, Jean Clauss, Therese R. W. Dash, Pradyot Diercks, Alan H. Eisfeld, Arnie J. Ellis, Amy Fan, Shufang Ferris, Martin T. Gralinski, Lisa E. Green, Richard R. Gritsenko, Marina A. Hatta, Masato Heegel, Robert A. Jacobs, Jon M. Jeng, Sophia Josset, Laurence Kaiser, Shari M. Kelly, Sara Law, G. Lynn Li, Chengjun Li, Jiangning Long, Casey Luna, Maria L. Matzke, Melissa McDermott, Jason Menachery, Vineet Metz, Thomas O. Mitchell, Hugh Monroe, Matthew E. Navarro, Garnet Neumann, Gabriele Podyminogin, Rebecca L. Purvine, Samuel O. Rosenberger, Carrie M. Sanders, Catherine J. Schepmoes, Athena A. Shukla, Anil K. Sims, Amy Sova, Pavel Tam, Vincent C. Tchitchek, Nicolas Thomas, Paul G. Tilton, Susan C. Totura, Allison Wang, Jing Webb-Robertson, Bobbie-Jo Wen, Ji Weiss, Jeffrey M. Yang, Feng Yount, Boyd Zhang, Qibin McWeeney, Shannon Smith, Richard D. Waters, Katrina M. Kawaoka, Yoshihiro Baric, Ralph Aderem, Alan Katze, Michael G. Scheuermann, Richard H. TI A comprehensive collection of systems biology data characterizing the host response to viral infection SO SCIENTIFIC DATA LA English DT Article AB The Systems Biology for Infectious Diseases Research program was established by the U.S. National Institute of Allergy and Infectious Diseases to investigate host-pathogen interactions at a systems level. This program generated 47 transcriptomic and proteomic datasets from 30 studies that investigate in vivo and in vitro host responses to viral infections. Human pathogens in the Orthomyxoviridae and Coronaviridae families, especially pandemic H1N1 and avian H5N1 influenza A viruses and severe acute respiratory syndrome coronavirus (SARS-CoV), were investigated. Study validation was demonstrated via experimental quality control measures and meta-analysis of independent experiments performed under similar conditions. Primary assay results are archived at the GEO and PeptideAtlas public repositories, while processed statistical results together with standardized metadata are publically available at the Influenza Research Database (www.fludb.org) and the Virus Pathogen Resource (www.viprbrc.org). By comparing data from mutant versus wild-type virus and host strains, RNA versus protein differential expression, and infection with genetically similar strains, these data can be used to further investigate genetic and physiological determinants of host responses to viral infection. C1 [Aevermann, Brian D.; Pickett, Brett E.; Scheuermann, Richard H.] J Craig Venter Inst, La Jolla, CA 92037 USA. [Kumar, Sanjeev; Klem, Edward B.] Hlth IT, Northrop Grumman Informat Syst, Rockville, MD 20850 USA. [Agnihothram, Sudhakar; Long, Casey; Menachery, Vineet; Sims, Amy; Yount, Boyd; Baric, Ralph] Univ N Carolina, Dept Epidemiol, Chapel Hill, NC 27599 USA. [Askovich, Peter S.; Diercks, Alan H.; Kaiser, Shari M.; Li, Jiangning; Navarro, Garnet; Podyminogin, Rebecca L.; Rosenberger, Carrie M.; Tam, Vincent C.; Aderem, Alan] Seattle Biomed Res Inst, Seattle, WA 98109 USA. [Bankhead, Armand, III; Jeng, Sophia; McWeeney, Shannon] Oregon Clin & Translat Res Inst, Portland, OR 97239 USA. [Bankhead, Armand, III; McWeeney, Shannon] Oregon Hlth & Sci Univ, Div Bioinformat & Computat Biol, Dept Med Informat & Clin Epidemiol, Portland, OR 97239 USA. [Bolles, Meagen; Gralinski, Lisa E.; Totura, Allison; Baric, Ralph] Univ N Carolina, Dept Microbiol & Immunol, Chapel Hill, NC 27599 USA. [Carter, Victoria; Chang, Jean; Green, Richard R.; Josset, Laurence; Kelly, Sara; Law, G. Lynn; Sova, Pavel; Tchitchek, Nicolas; Weiss, Jeffrey M.; Katze, Michael G.] Univ Washington, Dept Microbiol, Seattle, WA 98195 USA. [Clauss, Therese R. W.; Gritsenko, Marina A.; Heegel, Robert A.; Jacobs, Jon M.; McDermott, Jason; Metz, Thomas O.; Mitchell, Hugh; Monroe, Matthew E.; Schepmoes, Athena A.; Shukla, Anil K.; Tilton, Susan C.; Wang, Jing; Webb-Robertson, Bobbie-Jo; Wen, Ji; Yang, Feng; Zhang, Qibin; Smith, Richard D.; Waters, Katrina M.] Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99352 USA. [Dash, Pradyot; Sanders, Catherine J.; Thomas, Paul G.] St Jude Childrens Res Hosp, Dept Immunol, Memphis, TN 38105 USA. [Eisfeld, Arnie J.; Ellis, Amy; Fan, Shufang; Hatta, Masato; Neumann, Gabriele; Kawaoka, Yoshihiro] Univ Wisconsin Madison, Influenza Res Inst, Dept Pathobiol Sci, Sch Vet Med, Madison, WI 53706 USA. [Ferris, Martin T.] Univ N Carolina, Dept Genet, Chapel Hill, NC 27599 USA. [Li, Chengjun] Chinese Acad Agr Sci, Harbin Vet Res Inst, Div Anim Influenza, Harbin 150001, Heilongjiang Pr, Peoples R China. [Purvine, Samuel O.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. [Katze, Michael G.] Univ Washington, Washington Natl Primate Res Ctr, Seattle, WA 98195 USA. [Scheuermann, Richard H.] Univ Calif San Diego, Dept Pathol, San Diego, CA 92093 USA. RP Scheuermann, RH (reprint author), J Craig Venter Inst, La Jolla, CA 92037 USA. EM rscheuermann@jcvi.org OI Metz, Tom/0000-0001-6049-3968; Thomas, Paul G./0000-0001-7955-0256; Tchitchek, Nicolas/0000-0003-3307-0446 FU National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services; Systems Virology Contract [HHSN272200800060C]; Systems Influenza contract [HHSN272200800058C]; NIAID [N01AI40041]; NIH/NCATS [5UL1RR024140]; National Institute of General Medical Sciences [8 P41 GM103493-11]; National Institutes of Health; Department of Energy's (DOE) Office of Biological and Environmental Research; PNNL; DOE [DE-AC05-76RLO1830] FX Data described here was funded in whole or in part with federal funds from the National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services. Data generation was performed under the Systems Virology Contract HHSN272200800060C and Systems Influenza contract HHSN272200800058C. The Influenza Research Database (IRD, www.fludb.org) and the Virus Pathogen Resource (ViPR, www.viprbrc.org) also received generous support from the NIAID under N01AI40041. We also wish to thank Valentina Di Francesco and Alison Yao for their programmatic support of he Systems Biology and he Bioinformatics Resource Centers Programs at the NIAID. Additional support for methodology development was provided by NIH/NCATS (5UL1RR024140). Proteomics data were obtained using capabilities developed under the support of the National Institute of General Medical Sciences (8 P41 GM103493-11), National Institutes of Health, and analyses were performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's (DOE) Office of Biological and Environmental Research and located at PNNL. PNNL is operated by the Battelle Memorial Institute for the DOE under contract number DE-AC05-76RLO1830. We would also like to acknowledge Drew Trevor Scobey and Alexandra Schaefer for their help performing experiments at University of North Carolina Chapel Hill. NR 88 TC 7 Z9 7 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2052-4463 J9 SCI DATA JI Sci. Data PY 2014 VL 1 AR 140033 DI 10.1038/sdata.2014.33 PG 21 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA V45VG UT WOS:000209843500027 PM 25977790 ER PT J AU Kim, KE Peluso, P Babayan, P Yeadon, PJ Yu, C Fisher, WW Chin, CS Rapicavoli, NA Rank, DR Li, J Catcheside, DEA Celniker, SE Phillippy, AM Bergman, CM Landolin, JM AF Kim, Kristi E. Peluso, Paul Babayan, Primo Yeadon, P. Jane Yu, Charles Fisher, William W. Chin, Chen-Shan Rapicavoli, Nicole A. Rank, David R. Li, Joachim Catcheside, David E. A. Celniker, Susan E. Phillippy, Adam M. Bergman, Casey M. Landolin, Jane M. TI Long-read, whole-genome shotgun sequence data for five model organisms SO SCIENTIFIC DATA LA English DT Article AB Single molecule, real-time (SMRT) sequencing from Pacific Biosciences is increasingly used in many areas of biological research including de novo genome assembly, structural-variant identification, haplotype phasing, mRNA isoform discovery, and base-modification analyses. High-quality, public datasets of SMRT sequences can spur development of analytic tools that can accommodate unique characteristics of SMRT data (long read lengths, lack of GC or amplification bias, and a random error profile leading to high consensus accuracy). In this paper, we describe eight high-coverage SMRT sequence datasets from five organisms (Escherichia coli, Saccharomyces cerevisiae, Neurospora crassa, Arabidopsis thaliana, and Drosophila melanogaster) that have been publicly released to the general scientific community (NCBI Sequence Read Archive ID SRP040522). Data were generated using two sequencing chemistries (P4C2 and P5C3) on the PacBio RS II instrument. The datasets reported here can be used without restriction by the research community to generate whole-genome assemblies, test new algorithms, investigate genome structure and evolution, and identify base modifications in some of the most widely-studied model systems in biological research. C1 [Kim, Kristi E.; Peluso, Paul; Babayan, Primo; Chin, Chen-Shan; Rapicavoli, Nicole A.; Rank, David R.; Landolin, Jane M.] Pacific Biosci Calif Inc, 1380 Willow Rd, Menlo Pk, CA 94025 USA. [Yeadon, P. Jane; Catcheside, David E. A.] Flinders Univ S Australia, Sch Biol Sci, Adelaide, SA 5001, Australia. [Yu, Charles; Fisher, William W.; Celniker, Susan E.] Lawrence Berkeley Natl Lab, Dept Genome Dynam, Berkeley, CA 94720 USA. [Li, Joachim] UCSF, Dept Microbiol & Immunol, San Francisco, CA 94158 USA. [Phillippy, Adam M.] Natl Biodef Anal & Countermeasures Ctr, Frederick, MD 21702 USA. [Bergman, Casey M.] Univ Manchester, Fac Life Sci, Manchester M13 9PT, Lancs, England. RP Landolin, JM (reprint author), Pacific Biosci Calif Inc, 1380 Willow Rd, Menlo Pk, CA 94025 USA. EM jlandolin@pacificbiosciences.com OI Bergman, Casey/0000-0002-5462-9854; Catcheside, David/0000-0002-7101-6849 FU Department of Homeland Security Science and Technology Directorate (DHS/ST) [HSHQDC-07-C-00020]; Federally Funded Research and Development Center; Human Frontier Science Program Young Investigator grant [RGY0093/2012] FX The contributions of AMP were funded under Agreement No. HSHQDC-07-C-00020 awarded by the Department of Homeland Security Science and Technology Directorate (DHS/S&T) for the management and operation of the National Biodefense Analysis and Countermeasures Center (NBACC), a Federally Funded Research and Development Center. The views and conclusions contained in this document are those of the authors and should not be interpreted as necessarily representing the official policies, either expressed or implied, of the U.S. Department of Homeland Security. In no event shall the DHS, NBACC, or Battelle National Biodefense Institute (BNBI) have any responsibility or liability for any use, misuse, inability to use, or reliance upon the information contained herein. The Department of Homeland Security does not endorse any products or commercial services mentioned in this publication. CMB was supported by Human Frontier Science Program Young Investigator grant RGY0093/2012. NR 40 TC 26 Z9 26 U1 1 U2 1 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2052-4463 J9 SCI DATA JI Sci. Data PY 2014 VL 1 AR 140045 DI 10.1038/sdata.2014.45 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA V45VG UT WOS:000209843500041 ER PT J AU Ramakrishnan, R Dral, PO Rupp, M von Lilienfeld, OA AF Ramakrishnan, Raghunathan Dral, Pavlo O. Rupp, Matthias von Lilienfeld, O. Anatole TI Quantum chemistry structures and properties of 134 kilo molecules SO SCIENTIFIC DATA LA English DT Article AB Computational de novo design of new drugs and materials requires rigorous and unbiased exploration of chemical compound space. However, large uncharted territories persist due to its size scaling combinatorially with molecular size. We report computed geometric, energetic, electronic, and thermodynamic properties for 134k stable small organic molecules made up of CHONF. These molecules correspond to the subset of all 133,885 species with up to nine heavy atoms (CONF) out of the GDB-17 chemical universe of 166 billion organic molecules. We report geometries minimal in energy, corresponding harmonic frequencies, dipole moments, polarizabilities, along with energies, enthalpies, and free energies of atomization. All properties were calculated at the B3LYP/6-31G(2df,p) level of quantum chemistry. Furthermore, for the predominant stoichiometry, C7H10O2, there are 6,095 constitutional isomers among the 134k molecules. We report energies, enthalpies, and free energies of atomization at the more accurate G(4)MP(2) level of theory for all of them. As such, this data set provides quantum chemical properties for a relevant, consistent, and comprehensive chemical space of small organic molecules. This database may serve the benchmarking of existing methods, development of new methods, such as hybrid quantum mechanics/machine learning, and systematic identification of structure-property relationships. C1 [Ramakrishnan, Raghunathan; Rupp, Matthias; von Lilienfeld, O. Anatole] Univ Basel, Inst Phys Chem, Dept Chem, Klingelbergstr 8o, CH-4056 Basel, Switzerland. [Dral, Pavlo O.] Max Planck Inst Kohlenforsch, D-45470 Mulheim, Germany. [Dral, Pavlo O.] Univ Erlangen Nurnberg, Comp Chem Ctr, D-91052 Erlangen, Germany. [von Lilienfeld, O. Anatole] Argonne Natl Lab, Argonne Leadership Comp Facil, Lemont, IL 60439 USA. RP von Lilienfeld, OA (reprint author), Univ Basel, Inst Phys Chem, Dept Chem, Klingelbergstr 8o, CH-4056 Basel, Switzerland. EM anatole.vonlilienfeld@unibas.ch RI Ramakrishnan, Raghunathan/C-7250-2015; Dral, Pavlo/A-6089-2016 OI Ramakrishnan, Raghunathan/0000-0003-0866-3645; Dral, Pavlo/0000-0002-2975-9876 FU Office of Science of the U.S. DOE [DE-AC02-06CH11357]; Swiss National Science foundation [PPOOP2 138932] FX The authors thank James Stewart and Christof H. Schwab for providing trial licenses for the packages MOPAC and Corina, respectively. The authors are thankful for CPU time at the Universitatsrechenzentrum, University of Basel. We greatly acknowledge J.-L. Reymond and his group for extensive discussions, ideas, and access to GDB-17 data. This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. DOE under contract DE-AC02-06CH11357. Funding from the Swiss National Science foundation is acknowledged (No. PPOOP2 138932). NR 27 TC 4 Z9 4 U1 1 U2 5 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2052-4463 J9 SCI DATA JI Sci. Data PY 2014 VL 1 AR 140022 DI 10.1038/sdata.2014.22 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA V45VG UT WOS:000209843500015 PM 25977779 ER PT B AU Aimone, JB Deng, W Gage, FH AF Aimone, James B. Deng, Wei Gage, Fred H. BE Derdikman, D Knierim, JJ TI Adult Neurogenesis in the Dentate Gyrus SO SPACE, TIME AND MEMORY IN THE HIPPOCAMPAL FORMATION LA English DT Article; Book Chapter ID ENHANCED SYNAPTIC PLASTICITY; SPATIAL-PATTERN SEPARATION; MILD COGNITIVE IMPAIRMENT; NEWLY GENERATED NEURONS; GRANULE CELLS; HIPPOCAMPAL NEUROGENESIS; DORSAL HIPPOCAMPUS; PERFORANT PATH; DOUBLE DISSOCIATION; GABAERGIC INPUTS AB Adult neurogenesis is a unique form of structural plasticity in the brain. Localized specifically to the dentate gyrus region, new granule cells continue to integrate into the functioning circuit throughout life. Over the last 2 decades, neurogenesis has gone from a controversial side note within the hippocampal community to a process believed to potentially impact many aspects of learning and memory. Here, we will provide a basic overview of the neurogenesis process, both in terms of its anatomical and physiological development and its tight coupling to physical and cognitive behavior. We will then summarize the current hypotheses explaining how new neurons could affect dentate gyrus and hippocampal function, touching both on theoretical and computational studies. From this perspective, we will review results from behavioral studies in animal knockdowns of neurogenesis and the observations of new neuron behavior during behavioral tasks. C1 [Aimone, James B.] Sandia Natl Labs, Cognit Modeling Dept, Albuquerque, NM 87185 USA. [Deng, Wei; Gage, Fred H.] Salk Inst Biol Studies, Genet Lab, La Jolla, CA 92037 USA. RP Gage, FH (reprint author), Salk Inst Biol Studies, Genet Lab, La Jolla, CA 92037 USA. EM jbaimon@sandia.gov; deng@salk.edu; gage@salk.edu NR 102 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG WIEN PI VIENNA PA SACHSENPLATZ 4-6, A-1201 VIENNA, AUSTRIA BN 978-3-7091-1292-2; 978-3-7091-1291-5 PY 2014 BP 409 EP 429 DI 10.1007/978-3-7091-1292-2_15 D2 10.1007/978-3-7091-1292-2 PG 21 WC Neurosciences SC Neurosciences & Neurology GA BE6BF UT WOS:000373804400016 ER PT B AU Swift, GW AF Swift, Gregory W. BE Rossing, TD TI Thermoacoustics SO SPRINGER HANDBOOK OF ACOUSTICS, 2ND EDITION LA English DT Article; Book Chapter ID DRIVEN ACOUSTIC-OSCILLATIONS; WAVE HEAT ENGINE; MIXTURE SEPARATION; TUBE; REFRIGERATORS; EFFICIENCY; HELIUM; STACK AB Thermodynamic and fluid-dynamic processes in sound waves in gases can convert energy from one form to another. In these thermoacoustic processes [7.1, 2], high-temperature heat or chemical energy can be partially converted to acoustic power, acoustic power can produce heat, acoustic power can pump heat from a low temperature or to a high temperature, and acoustic power can be partially converted to chemical potential in the separation of gas mixtures. In some cases, the thermoacoustic perspective brings new insights to decades-old technologies. Well-engineered thermoacoustic devices using extremely intense sound approach the power conversion per unit volume and the efficiency of mature energy-conversion equipment such as internal combustion engines, and the simplicity of few or no moving parts drives the development of practical applications. This chapter surveys thermoacoustic energy conversion, so the reader can understand how thermoacoustic devices work and can estimate some relevant numbers. After a brief history, an initial section defines vocabulary and establishes preliminary concepts, and subsequent sections explain engines, dissipation, refrigeration, and mixture separation. Combustion thermoacoustics is mentioned only briefly. Transduction and measurement systems that use heat-generated surface and bulk acoustic waves in solids are not discussed. C1 [Swift, Gregory W.] Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87545 USA. RP Swift, GW (reprint author), Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87545 USA. EM swift@lanl.gov NR 50 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-1-4939-0755-7; 978-1-4939-0754-0 PY 2014 BP 247 EP 263 D2 10.1007/978-1-4939-0755-7 PG 17 WC Acoustics SC Acoustics GA BF9UL UT WOS:000385960700008 ER PT B AU Hartmann, WM Candy, JV AF Hartmann, William M. Candy, James V. BE Rossing, TD TI Acoustic Signal Processing SO SPRINGER HANDBOOK OF ACOUSTICS, 2ND EDITION LA English DT Article; Book Chapter ID PARAMETER-ESTIMATION; MATHEMATICAL-THEORY; TIME-REVERSAL; COMMUNICATION AB Signal processing refers to the acquisition, storage, display, and generation of signals - also to the extraction of information from signals and the re-encoding of information. As such, signal processing in some form is an essential element in the practice of all aspects of acoustics. Signal processing algorithms enable acousticians to separate signals from noise, to perform automatic speech recognition, or to compress information for more efficient storage or transmission. Signal processing concepts are the building blocks used to construct models of speech and hearing. Now, in the 21st century, all signal processing is effectively digital signal processing. Widespread access to high-speed processing, massive memory, and inexpensive software make signal processing procedures of enormous sophistication and power available to anyone who wants to use them. Because advanced signal processing is now accessible to everybody, there is a need for primers that introduce basic mathematical concepts that underlie the digital algorithms. The present handbook chapter is intended to serve such a purpose. The chapter emphasizes careful definition of essential terms used in the description of signals per international standards. It introduces the Fourier series for signals that are periodic and the Fourier transform for signals that are not. Both begin with analog, continuous signals, appropriate for the real acoustical world. Emphasis is placed on the consequences of signal symmetry and on formal relationships. The autocorrelation function is related to the energy and power spectra for finite-duration and infinite-duration signals. The chapter provides careful definitions of statistical terms, moments, and single- and multi-variate distributions. The Hilbert transform is introduced, again in terms of continuous functions. It is applied both to the development of the analytic signal - envelope and phase, and to the dispersion relations for linear, time-invariant systems. The bare essentials of filtering are presented, mostly to provide real-world examples of fundamental concepts - asymptotic responses, group delay, phase delay, etc. This introduction is followed by more advanced ideas: matched filtering and time-reversal processing. Spectral estimation in the presence of noise is treated by several techniques: parametric models, autoregressive procedures, model-based signal processing implemented as Wiener and Kalman filters, and matched-field processing. There is a brief introduction to cepstrology, with emphasis on acoustical applications. The treatment of the mathematical properties of noise emphasizes the generation of different kinds of noise. Digital signal processing with sampled data is specifically introduced with emphasis on digital-to-analog conversion and analog-to-digital conversion. It continues with the discrete Fourier transform and with the z-transform, applied to both signals and linear, time-invariant systems. Digital signal processing continues with an introduction to maximum length sequences as used in acoustical measurements, with an emphasis on formal properties. The chapter ends with a section on information theory including developments of Shannon entropy and mutual information. C1 [Hartmann, William M.] Michigan State Univ, Phys & Astron, 567 Wilson Rd, E Lansing, MI 48824 USA. [Candy, James V.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Hartmann, WM (reprint author), Michigan State Univ, Phys & Astron, 567 Wilson Rd, E Lansing, MI 48824 USA. EM hartmann@pa.msu.edu NR 23 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-1-4939-0755-7; 978-1-4939-0754-0 PY 2014 BP 519 EP 563 D2 10.1007/978-1-4939-0755-7 PG 45 WC Acoustics SC Acoustics GA BF9UL UT WOS:000385960700015 ER PT S AU Wiggenhauser, H Naus, DJ AF Wiggenhauser, Herbert Naus, Dan J. BE Jayakumar, T Sandhya, R Rao, BPC Bhaduri, AK TI NDE of Thick and Highly Reinforced Concrete Structures: State of the Art SO STRUCTURAL INTEGRITY SE Procedia Engineering LA English DT Proceedings Paper CT 1st International Conference on Structural Integrity (ICONS) CY FEB 04-07, 2014 CL Indira Gandhi Ctr Atom Res, Kalpakkam, INDIA SP Soc Failure Anal, Indian Inst Met, Kalpakkam Chapter, Indian Inst Welding HO Indira Gandhi Ctr Atom Res DE Non-destructuive Testing; Inspection; Nuclear Power Plant; State-of.-the-Art; Highly Reinforced Concrete AB The objective of the report is to present the state-of-the art of non-destructive testing methods and technologies for the inspection of thick, heavily-reinforced structures, (e. g. found in nuclear power plants). Wall thicknesses can be in excess of one meter and the structures often have increased steel reinforcement density. The accessibility for any testing method may be limited due to the presence of liners and other components such as cast-in-place items. Testing methods have to provide solutions for tasks such as locating failure (inclusions, corrosion, voids, delaminations) in the structures or the assessment of the condition of the structure in general. (C) 2014 Published by Elsevier Ltd. C1 [Wiggenhauser, Herbert] BAM Fed Inst Mat Res & Testing, Berlin, Germany. [Naus, Dan J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Wiggenhauser, H (reprint author), BAM Fed Inst Mat Res & Testing, Berlin, Germany. EM Herbert.wiggenhauser@bam.de NR 5 TC 0 Z9 0 U1 2 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1877-7058 J9 PROCEDIA ENGINEER PY 2014 VL 86 BP 420 EP 426 DI 10.1016/j.proeng.2014.11.055 PG 7 WC Engineering, Multidisciplinary SC Engineering GA BE2LK UT WOS:000369533000052 ER PT J AU Lin, CY Zhao, C Liu, XH Lin, NH Chen, WN AF Lin, Chuan-Yao Zhao, Chun Liu, Xiaohong Lin, Neng-Huei Chen, Wei-Nei TI Modelling of long-range transport of Southeast Asia biomass-burning aerosols to Taiwan and their radiative forcings over East Asia SO TELLUS SERIES B-CHEMICAL AND PHYSICAL METEOROLOGY LA English DT Article DE biomass burning; aerosol optical depth; radiative forcing; modelling AB Biomass burning produces aerosols and air pollutants during springtime in Southeast Asia. At the Lulin Atmospheric Background Station (LABS) (elevation 2862 m) in central Taiwan, the concentrations of carbon monoxide (CO), ozone (O-3) and particulate matter with a diameter less than 10 mm (PM10) were found to be 135-200 ppb, 40-56 ppb and 13-26 mu g/m(3), respectively, in the springtime (February-April) between 2006 and 2009, which are 2-3 times higher than those in other seasons. Simulation results indicate that higher concentrations during springtime are related to biomass-burning plumes transported from the Indochinese peninsula of Southeast Asia. The spatial distribution of high aerosol optical depth (AOD) was identified by satellite measurement and Aerosol Robotic Network (AERONET) ground observation, and could be reasonably captured by the WRF-Chem model during the study period of 15-18 March 2008. Simulated AOD reached as high as 0.8-1.2 in Indochina situated between 10-22 degrees N and 95-107 degrees E. According to the simulation results, 34% of the AOD was attributed to organic carbon over Indochina, while the contribution of black carbon to AOD was about 4%. During the study period, biomass-burning aerosols over Indochina have a net negative effect (-26.85 W.m(-2)) at ground surface, a positive effect (22.11 W.m(-2)) in the atmosphere and a negative forcing (-4.74 W.m(-2)) at the top of atmosphere. Under the influence of biomass-burning aerosol plume transported by strong wind, there is a NE-SW zone stretching from southern China to Taiwan with reduction in shortwave radiation of about 20 W.m(-2) at ground surface. Such significant reduction in radiation attributed to biomass-burning aerosols and their impact on the regional climate in East Asia merit attention. C1 [Lin, Chuan-Yao; Chen, Wei-Nei] Acad Sinica, Res Ctr Environm Changes, Taipei 115, Taiwan. [Zhao, Chun; Liu, Xiaohong] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Liu, Xiaohong] Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA. [Lin, Neng-Huei] Natl Cent Univ, Dept Atmospher Sci, Jhongli, Taiwan. RP Lin, CY (reprint author), Acad Sinica, Res Ctr Environm Changes, Taipei 115, Taiwan. EM yao435@rcec.sinica.edu.tw RI Zhao, Chun/A-2581-2012; Liu, Xiaohong/E-9304-2011 OI Zhao, Chun/0000-0003-4693-7213; Liu, Xiaohong/0000-0002-3994-5955 FU National Science Council, Taiwan [NSC 99-2111-M-001-007-MY3, NSC-101-2621-M-001-002]; Office of Science of the U.S. Department of Energy as part of Regional and Global Climate Modeling Program; U.S. DOE [DE-AC05-76RL01830] FX This work was financially supported by the National Science Council, Taiwan under grants NSC 99-2111-M-001-007-MY3 and NSC-101-2621-M-001-002. The authors gratefully acknowledge the NOAA Air Resources Laboratory (ARL) for the provision of the HYSPLIT transport and dispersion model and/or READY website (http://www.arl.noaa.gov/ready.html) used in this publication. Chun Zhao was partly supported by the Office of Science of the U.S. Department of Energy as part of the Regional and Global Climate Modeling Program. The Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. DOE under contract DE-AC05-76RL01830. NR 60 TC 4 Z9 4 U1 1 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1600-0889 J9 TELLUS B JI Tellus Ser. B-Chem. Phys. Meteorol. PY 2014 VL 66 AR 23733 DI 10.3402/tellusb.v66.23733 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA V41RP UT WOS:000209563600001 ER PT J AU Hanford, N Ahuja, V Farrens, MK Ghosal, D Balman, M Pouyoul, E Tierney, B AF Hanford, Nathan Ahuja, Vishal Farrens, Matthew K. Ghosal, Dipak Balman, Mehmet Pouyoul, Eric Tierney, Brian GP ACM TI Impact of the End-System and Affinities on the Throughput of High-Speed Flows SO TENTH 2014 ACM/IEEE SYMPOSIUM ON ARCHITECTURES FOR NETWORKING AND COMMUNICATIONS SYSTEMS (ANCS'14) LA English DT Proceedings Paper CT 10th ACM/IEEE Symposium on Architectures for Networking and Communications Systems (ANCS) CY OCT 20-21, 2014 CL Marina del Rey, CA SP IEEE, ACM, ACM Special Interest Grp Comp Architecture, ACM Special Interest Grp Commun, IEEE Comp Soc Tech Comm Comp Architecture DE 40 Gbps Network; ESnet; Multi-core Affinitization; End-system Performance; high-speed network; Flow Affinity; Application Affinity; RPS; RFS AB Network throughput is scaling-up to higher data rates while processors are scaling-out to multiple cores. In order to optimize high speed data transfer into multicore end-systems, network adapter offloads and performance tuning have received a great deal of attention. However, much of this attention is focused on how to set the tuning parameters and which offloads to select for higher performance and not why they do (or do not) work. In this study we have attempted to address two issues that impact the data transfer performance. First is the impact of the processor core affinity (or core binding) which determines the choice of which processor core or cores handle certain tasks in a network- or I/O-heavy application running on a multicore end-system. Second issue is the impact of Ethernet pause frames which provides a link layer flow control in addition to the end-to-end flow control provided by TCP. The goal of our research is to delve deeper into why these tuning suggestions and this offload exist, and how they affect the end-to-end performance and efficiency of a single, large TCP flow. C1 [Hanford, Nathan; Ahuja, Vishal; Farrens, Matthew K.; Ghosal, Dipak] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. [Balman, Mehmet; Pouyoul, Eric; Tierney, Brian] Lawrence Berkeley Labs, ESnet, Berkeley, CA USA. RP Hanford, N (reprint author), Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. EM nhanford@ucdavis.edu; vahuja@ucdavis.edu; mkfarrens@ucdavis.edu; dghosal@ucdavis.edu; mbalman@lbl.gov; lomax@es.net; bltierney@es.net NR 4 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-2839-5 PY 2014 BP 259 EP 260 DI 10.1145/2658260.2661772 PG 2 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA BE4NW UT WOS:000371988500035 ER PT S AU Ryan, OW Cate, JHD AF Ryan, Owen W. Cate, Jamie H. D. BE Doudna, JA Sontheimer, EJ TI Multiplex Engineering of Industrial Yeast Genomes Using CRISPRm SO USE OF CRISPR/CAS9, ZFNS, AND TALENS IN GENERATING SITE-SPECIFIC GENOME ALTERATIONS SE Methods in Enzymology LA English DT Review; Book Chapter ID SACCHAROMYCES-CEREVISIAE; RNA; CAS9; PATHWAYS; ENDONUCLEASE; RESISTANCE; SYSTEMS; GENES AB Global demand has driven the use of industrial strains of the yeast Saccharomyces cerevisiae for large-scale production of biofuels and renewable chemicals. However, the genetic basis of desired domestication traits is poorly understood because robust genetic tools do not exist for industrial hosts. We present an efficient, marker-free, high-throughput, and multiplexed genome editing platform for industrial strains of S. cerevisiae that uses plasmid-based expression of the CRISPR/Cas9 endonuclease and multiple ribozyme-protected single guide RNAs. With this multiplex CRISPR (CRISPRm) system, it is possible to integrate DNA libraries into the chromosome for evolution experiments, and to engineer multiple loci simultaneously. The CRISPRm tools should therefore find use in many higher-order synthetic biology applications to accelerate improvements in industrial microorganisms. C1 [Ryan, Owen W.; Cate, Jamie H. D.] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. [Cate, Jamie H. D.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Cate, Jamie H. D.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Cate, Jamie H. D.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. RP Cate, JHD (reprint author), Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. EM jcate@lbl.gov NR 27 TC 11 Z9 11 U1 2 U2 15 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-801185-0 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2014 VL 546 BP 473 EP 489 DI 10.1016/B978-0-12-801185-0.00023-4 PG 17 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Cell & Tissue Engineering SC Biochemistry & Molecular Biology; Cell Biology GA BF5HW UT WOS:000382008600023 PM 25398354 ER PT J AU Zhao, HH Zou, L Zhang, HB AF Zhao, Haihua Zou, Ling Zhang, Hongbin TI Simulation of thermal stratification in BWR suppression pools with one dimensional modeling method SO ANNALS OF NUCLEAR ENERGY LA English DT Article DE Suppression pool; Thermal stratification; BMIX plus; CFD ID CONTAINMENT; CONVECTION; BENCHMARK; ENCLOSURE; FLOWS; FIRES; WATER AB The suppression pool in a boiling water reactor (BWR) plant not only is the major heat sink within the containment system, but also provides the major emergency cooling water for the reactor core. In several accident scenarios, such as a loss-of-coolant accident and extended station blackout, thermal stratification tends to form in the pool after the initial rapid venting stage. Accurately predicting the pool stratification phenomenon is important because it affects the peak containment pressure; the pool temperature distribution also affects the NPSHa (available net positive suction head) and therefore the performance of the Emergency Core Cooling System and Reactor Core Isolation Cooling System pumps that draw cooling water back to the core. Current safety analysis codes use zero dimensional (0-D) lumped parameter models to calculate the energy and mass balance in the pool; therefore, they have large uncertainties in the prediction of scenarios in which stratification and mixing are important. While three-dimensional (3-D) computational fluid dynamics (CFD) methods can be used to analyze realistic 3-D configurations, these methods normally require very fine grid resolution to resolve thin substructures such as jets and wall boundaries, resulting in a long simulation time. For mixing in stably stratified large enclosures, the BMIX++ code (Berkeley mechanistic MIXing code in C++) has been developed to implement a highly efficient analysis method for stratification where the ambient fluid volume is represented by one-dimensional (1-D) transient partial differential equations and substructures (such as free or wall jets) are modeled with 1-D integral models. This allows very large reductions in computational effort compared to multi-dimensional CFD modeling. One heat-up experiment performed at the Finland POOLEX facility, which was designed to study phenomena relevant to Nordic design BWR suppression pool including thermal stratification and mixing, is used for validation. Comparisons between the BMIX++, GOTHIC, and CFD calculations against the POOLEX experimental data are discussed in detail. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Zhao, Haihua; Zou, Ling; Zhang, Hongbin] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Zhao, HH (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Haihua.Zhao@inl.gov; Ling.Zou@inl.gov; Hongbin.Zhang@inl.gov FU Battelle Energy Alliance, LLC [DE-AC07-05ID14517]; U.S. Department of Energy FX We appreciate Dr. Pavel Kudinov and his team at Royal Institute of Technology, Sweden to give us permission to use their analysis data in the paper. This manuscript has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 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 nonexclusive, 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 30 TC 10 Z9 10 U1 1 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD JAN PY 2014 VL 63 BP 533 EP 540 DI 10.1016/j.anucene.2013.08.031 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 263SX UT WOS:000327829400059 ER PT J AU Ghrayeb, SZ Ougouag, AM Ouisloumen, M Ivanov, KN AF Ghrayeb, Shadi Z. Ougouag, Abderrafi M. Ouisloumen, Mohamed Ivanov, Kostadin N. TI Multi-group formulation of the temperature-dependent resonance scattering model and its impact on reactor core parameters SO ANNALS OF NUCLEAR ENERGY LA English DT Article DE Resonance scattering; Multi-group formulation; Doppler effect; Up-scattering; Elastic scattering ID NEUTRON-SCATTERING; CROSS-SECTIONS; PRONOUNCED RESONANCES; KERNEL; GAS; NUCLIDES; BINDING; U-238 AB A multi-group formulation for the exact neutron elastic scattering kernel is developed. It incorporates the neutron up-scattering effects stemming from lattice atoms thermal motion and it accounts for them within the resulting effective nuclear cross-section data. The effects pertain essentially to resonant scattering off of heavy nuclei. The formulation, implemented into a standalone code, produces effective nuclear scattering data that are then supplied directly into the DRAGON lattice physics code where the effects on Doppler reactivity and neutron flux are demonstrated. The correct accounting for the crystal lattice effects influences the estimated values for the probability of neutron absorption and scattering, which in turn affect the estimation of core reactivity and burnup characteristics. The results show an increase in values of Doppler temperature feedback coefficients up to -10% for UOX and MOX LWR fuels compared to the corresponding values derived using the traditional asymptotic elastic scattering kernel. This paper also summarizes research performed to date on this topic. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Ghrayeb, Shadi Z.; Ivanov, Kostadin N.] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Ougouag, Abderrafi M.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Ouisloumen, Mohamed] Westinghouse Elect Co, Cranberry Township, PA USA. RP Ougouag, AM (reprint author), Idaho Natl Lab, MS 3860,POB 1625, Idaho Falls, ID 83415 USA. EM ghrays@gmail.com; abderrafi.ougouag@inl.gov; ouislom@westinghouse.com; kni1@psu.edu OI Ougouag, Abderrafi/0000-0003-4436-380X FU US Department of Energy Office of Nuclear Energy's Nuclear Energy University Programs; Deep Burn Project (Coated Particles Fuel element of the Department of Energy Fuels campaign) FX This research was performed in part using funding received from the US Department of Energy Office of Nuclear Energy's Nuclear Energy University Programs. Some financial support was received from the Deep Burn Project (Coated Particles Fuel element of the Department of Energy Fuels campaign). Both sources of support are gratefully acknowledged. NR 67 TC 3 Z9 3 U1 0 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD JAN PY 2014 VL 63 BP 751 EP 762 DI 10.1016/j.anucene.2013.07.031 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 263SX UT WOS:000327829400085 ER PT J AU Lebarbier, VM Dagle, RA Kovarik, L Albrecht, KO Li, XH Li, LY Taylor, CE Bao, XH Wang, Y AF Lebarbier, Vanessa M. Dagle, Robert A. Kovarik, Libor Albrecht, Karl O. Li, Xiaohong Li, Liyu Taylor, Charles E. Bao, Xinhe Wang, Yong TI Sorption-enhanced synthetic natural gas (SNG) production from syngas: A novel process combining CO methanation, water-gas shift, and CO2 capture SO APPLIED CATALYSIS B-ENVIRONMENTAL LA English DT Article DE Methanation; CO2 sorption; Sorption enhanced reaction; Methanation catalyst; CO2 sorbent ID SUPPORTED NICKEL-CATALYSTS; PARTIAL OXIDATION; CARBON-MONOXIDE; CAO; CONVERSION; SORBENT; DIOXIDE; CYCLES; METAL; SIZE AB Synthetic natural gas (SNG) production from syngas is under investigation again due to the desire for less dependency from imports and the opportunity for increasing coal utilization and reducing greenhouse gas emission. CO methanation is highly exothermic and substantial heat is liberated which can lead to process thermal imbalance and deactivation of the catalyst. As a result, conversion per pass is limited and substantial syngas recycle is employed in conventional processes. Furthermore, the conversion of syngas to SNG is typically performed at moderate temperatures (275-325 degrees C) to ensure high CH4 yields since this reaction is thermodynamically limited. In this study, the effectiveness of a novel integrated process for the SNG production from syngas at high temperature (i.e. 600 degrees C) was investigated. This integrated process consists of combining a CO methanation nickel-based catalyst with a high temperature CO2 capture sorbent in a single reactor. Integration with CO2 separation eliminates the reverse-water-gas shift and the requirement for a separate water-gas shift (WGS) unit. Easing of thermodynamic constraint offers the opportunity of enhancing yield to CH4 at higher operating temperature (500-700 degrees C) which also favors methanation kinetics and improves the overall process efficiency due to exploitation of reaction heat at higher temperatures. Furthermore, simultaneous CO2 capture eliminates greenhouse gas emission. In this work, sorption-enhanced CO methanation was demonstrated using a mixture of a 68% CaO/32% MgAl2O4 sorbent and a CO methanation catalyst (Ni/Al2O3, Ni/MgAl2O4, or Ni/SiC) utilizing a syngas ratio (H-2/CO) of 1, gas-hour-space velocity (GHSV) of 22,000 h(-1), pressure of 1 bar and a temperature of 600 degrees C. These conditions resulted in similar to 90% yield to methane, which was maintained until the sorbent became saturated with CO2. By contrast, without the use of sorbent, equilibrium yield to methane is only 22%. Cyclic stability of the methanation catalyst and durability of the sorbent were also studied in the multiple carbonation-decarbonation cycle studies proving the potential of this integrated process in a practical application. (C) 2013 Elsevier B.V. All rights reserved. C1 [Lebarbier, Vanessa M.; Dagle, Robert A.; Kovarik, Libor; Li, Xiaohong; Li, Liyu; Wang, Yong] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. [Albrecht, Karl O.] Pacific NW Natl Lab, Chem & Biol Proc Dev Energy & Environm Directorat, Richland, WA 99352 USA. [Taylor, Charles E.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Bao, Xinhe] Chinese Acad Sci, Dalian Inst Chem Phys, Beijing 100864, Peoples R China. [Wang, Yong] Washington State Univ, Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. RP Wang, Y (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. EM yongwang@pnnl.gov RI li, haobo/P-5373-2014; Kovarik, Libor/L-7139-2016 OI li, haobo/0000-0002-9215-3754; FU U.S. Department of Energy's Office of Fossil Energy [DE-AC-05-76RL01830]; Environmental Molecular Sciences Laboratory (EMSL), a DOE FX The authors gratefully acknowledge financial support for this work provided by the U.S. Department of Energy's Office of Fossil Energy under contract DE-AC-05-76RL01830. We also would like to acknowledge that a portion of this work was done in the Environmental Molecular Sciences Laboratory (EMSL), a DOE sponsored user facility located at PNNL in Richland, WA. NR 31 TC 21 Z9 23 U1 9 U2 143 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-3373 EI 1873-3883 J9 APPL CATAL B-ENVIRON JI Appl. Catal. B-Environ. PD JAN PY 2014 VL 144 BP 223 EP 232 DI 10.1016/j.apcatb.2013.06.034 PG 10 WC Chemistry, Physical; Engineering, Environmental; Engineering, Chemical SC Chemistry; Engineering GA 261SZ UT WOS:000327686200028 ER PT J AU Ortony, JH Choi, SH Spruell, JM Hunt, JN Lynd, NA Krogstad, DV Urban, VS Hawker, CJ Kramer, EJ Han, S AF Ortony, Julia H. Choi, Soo-Hyung Spruell, Jason M. Hunt, Jasmine N. Lynd, Nathaniel A. Krogstad, Daniel V. Urban, Volker S. Hawker, Craig J. Kramer, Edward J. Han, Songi TI Fluidity and water in nanoscale domains define coacervate hydrogels SO CHEMICAL SCIENCE LA English DT Article ID DYNAMIC NUCLEAR-POLARIZATION; BLOCK-COPOLYMER MICELLES; COMPLEX COACERVATION; HYDRATION DYNAMICS; DELIVERY; POLYMER; PROTEINS; BIOLOGY AB Coacervate-based hydrogels, formed in aqueous solution by simple mixing of two oppositely charged ABA block copolyelectrolytes represent a new and versatile approach to the design of bio-inspired gelators. While coacervate-based hydrogels provide high tunability of a range of desirable properties, little is understood about the molecular-level makeup of the nanometer-scale domains. Small angle neutron scattering was employed to quantify the effective polymer density and water content of each domain. Further, electron paramagnetic resonance and Overhauser dynamic nuclear polarization of block-specific spin labels elucidate domain-specific, local, polymer and water dynamics. This unique combination of techniques reveals that the charged A blocks segregate into spherical domains with a radius of 8 nm, and are dispersed in a continuous matrix of water soluble, PEO B blocks. The edges of the spherical A block domains are found to be soft and diffuse, and the B block matrix exhibits higher water and polymer dynamics than the A block domains. The selective measurement of the local water and polymer dynamics shows a viscous and dense, but fluidic environment in the spherical A block domains, thus permitting the designation as a complex coacervate phase. Further, the physical properties of the analogous homopolymers mixed at equal composition to that of the triblock copolyelectrolytes leads to the conclusion that "the whole is greater than the sum of its parts": nanometer scale complex coacervates only form when the two charged A blocks are covalently linked by a PEO midblock that serves as an intrinsic osmolyte. C1 [Ortony, Julia H.; Hunt, Jasmine N.; Hawker, Craig J.; Han, Songi] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. [Ortony, Julia H.; Choi, Soo-Hyung; Spruell, Jason M.; Hunt, Jasmine N.; Lynd, Nathaniel A.; Krogstad, Daniel V.; Hawker, Craig J.; Kramer, Edward J.; Han, Songi] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. [Krogstad, Daniel V.; Hawker, Craig J.; Kramer, Edward J.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Kramer, Edward J.; Han, Songi] Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. [Urban, Volker S.] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. [Urban, Volker S.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Han, S (reprint author), Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. EM songi@chem.ucsb.edu RI Choi, Soo-hyung/H-9734-2012; Urban, Volker/N-5361-2015; Han, Songi/E-4723-2012 OI Choi, Soo-hyung/0000-0002-4078-6285; Urban, Volker/0000-0002-7962-3408; Han, Songi/0000-0001-6489-6246 FU MRSEC Program of the National Science Foundation (NSF) [DMR-1121053]; NSF; Packard Foundation (SH); California Nanosystems Institute; Elings Fellowship; NSF-funded Materials Research Facilities Network FX This work was supported by the MRSEC Program of the National Science Foundation (NSF) under Award DMR-1121053 (JHO, SHC, JMS, JNH, NAL, CJH, EJK and SH). We also acknowledge fellowship support from the NSF (JHO, JNH), Packard Foundation (SH) and the California Nanosystems Institute, Elings Fellowship to JMS. Facilities support from the NSF-funded Materials Research Facilities Network (http://www.mrfn.org). We thank Jerry Hu for his help with ODNP instrumentation, and the Oak Ridge National Laboratory is gratefully acknowledged. NR 38 TC 18 Z9 18 U1 4 U2 48 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 2014 VL 5 IS 1 BP 58 EP 67 DI 10.1039/c3sc52368c PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 260NM UT WOS:000327601600005 ER PT J AU Minasian, SG Keith, JM Batista, ER Boland, KS Clark, DL Kozimor, SA Martin, RL Shuh, DK Tyliszczak, T AF Minasian, Stefan G. Keith, Jason M. Batista, Enrique R. Boland, Kevin S. Clark, David L. Kozimor, Stosh A. Martin, Richard L. Shuh, David K. Tyliszczak, Tolek TI New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory SO CHEMICAL SCIENCE LA English DT Article ID DENSITY-FUNCTIONAL THEORY; RAY-ABSORPTION SPECTROSCOPY; BRIDGED DIURANIUM COMPLEXES; COUPLED CASPT2 CALCULATIONS; ALPHA SCATTERED-WAVE; SET MODEL CHEMISTRY; SANDWICH COMPLEXES; PHOTOELECTRON-SPECTROSCOPY; METALLOCENE DICHLORIDES; OXIDATION-STATE AB Evidence for metal-carbon orbital mixing in thorocene and uranocene was determined from DFT calculations and carbon K-edge X-ray absorption spectra (XAS) collected with a scanning transmission X-ray microscope (STXM). Both the experimental and computational results showed that the 5f orbitals engaged in significant delta-type mixing with the C8H82- ligands, which increased as the 5f orbitals dropped in energy on moving from Th4+ to U4+. The first experimental evidence for extensive phi-orbital interactions has been provided by the C K-edge XAS analysis of thorocene; however, phi-type covalency in uranocene was negligible. The results highlighted two contrasting trends in orbital mixing from one pair of highly symmetric molecules, and showed that covalency does not increase uniformly for different molecular orbital interactions with later actinides. C1 [Minasian, Stefan G.; Shuh, David K.; Tyliszczak, Tolek] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R.; Boland, Kevin S.; Clark, David L.; Kozimor, Stosh A.; Martin, Richard L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Batista, ER (reprint author), Los Alamos Natl Lab, LA-UR-13-25346, Los Alamos, NM 87545 USA. EM erb@lanl.gov; stosh@lanl.gov; rlmartin@lanl.gov; dkshuh@lbl.gov FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy at LBNL [DE-AC0205CH11231]; Heavy Element Chemistry Program at LANL [DE-AC5206NA25396]; Office of Science, Office of Basic Energy Sciences Division of Chemical Sciences, Geosciences, and Biosciences; Condensed Phase and Interfacial Molecular Sciences Program of the aforementioned Division of the U.S. Department of Energy at LBNL [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; LBNL by the Berkeley Actinide Postdoctoral Fellowship; LANL by a Glenn T. Seaborg Institute Postdoctoral Fellowship FX This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy at LBNL (contract DE-AC0205CH11231) and under the Heavy Element Chemistry Program at LANL (operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration; contract DE-AC5206NA25396). Beamline 11.0.2 at the Advanced Light Source was supported by the Director, Office of Science, Office of Basic Energy Sciences Division of Chemical Sciences, Geosciences, and Biosciences; and the Condensed Phase and Interfacial Molecular Sciences Program of the aforementioned Division of the U.S. Department of Energy at LBNL under Contract No. DE-AC02-05CH11231. 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. Parts of this work were supported at LBNL by the Berkeley Actinide Postdoctoral Fellowship (Minasian), and at LANL by a Glenn T. Seaborg Institute Postdoctoral Fellowship (Minasian) and a Director's Postdoctoral Fellowship (Keith). NR 91 TC 30 Z9 30 U1 7 U2 60 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 2014 VL 5 IS 1 BP 351 EP 359 DI 10.1039/c3sc52030g PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 260NM UT WOS:000327601600044 ER PT J AU Nakamura, H Darcy, D Mehl, M Tobin, CJ Metcalfe, WK Pitz, WJ Westbrook, CK Curran, HJ AF Nakamura, Hisashi Darcy, Daniel Mehl, Marco Tobin, Colin J. Metcalfe, Wayne K. Pitz, William J. Westbrook, Charles K. Curran, Henry J. TI An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures SO COMBUSTION AND FLAME LA English DT Article DE Ignition delay times; n-Butylbenzene; Oxidation; Shock tube; Rapid compression machine ID HIGH-PRESSURE; PROPYLBENZENE OXIDATION; ELEVATED PRESSURES; AUTOIGNITION; TOLUENE; COMBUSTION; ETHYLBENZENE; HYDROCARBON; BENZENE; XYLENE AB In our previous work (D. Darcy, C.J. Tobin, K. Yasunaga, J.M. Simmie, J. Wurmel, W.K. Metcalfe, T. Niass, S.S. Ahmed, C.K. Westbrook, H.J. Curran, Combust. Flame 159 (2012) 2219-2232), ignition delay times of n-butylbenzene in air were measured using a shock tube over a temperature range of 980-1360 K, at reflected shock pressures of 1, 10, and 30 atm, and at equivalence ratios of 0.3, 0.5, 1.0 and 2.0. In the present study, these measurements have been extended to 50 atm and to lower temperatures using a rapid compression machine in the temperature range 730-1020 K, at compressed gas pressures of 10, 30 and 50 atm, over the same equivalence ratio range. Trends in ignition delay times over the wide temperature range were identified. The chemical kinetic model for n-butylbenzene, which was validated for the original shock tube data, was extended by adding low-temperature kinetics. The updated chemical kinetic model captures the general trend in reactivity of n-butylbenzene over the wide range of temperature, pressure and equivalence ratio conditions studied. Reaction flux analyses were carried out and it was found that fuel H-atom abstraction reactions forming the 4-phenylbut-4-yl radical, and its subsequent addition to molecular oxygen, is the primary source of reactivity in the low-temperature regime. High sensitivity to ignition delay time of the isomerization reactions of alkylperoxy, (R) over dot O-2 reversible arrow QOOH, and peroxy-alkylhydroperoxide radicals, (O) over dot(2)QOOH carbonylhydroperoxide + (O) over dotH, was also observed at low-temperatures. Comparisons are also made with experimental data obtained for n-propylbenzene over the same range of conditions and common trends are highlighted. It was found that, in general, n-butylbenzene was faster to ignite over the lower temperature range of 650-1000 K. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Nakamura, Hisashi; Darcy, Daniel; Tobin, Colin J.; Metcalfe, Wayne K.; Curran, Henry J.] Natl Univ Ireland, Combust Chem Ctr, Galway, Ireland. [Nakamura, Hisashi] Tohoku Univ, Inst Fluid Sci, Aoba Ku, Sendai, Miyagi 9808577, Japan. [Mehl, Marco; Pitz, William J.; Westbrook, Charles K.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Nakamura, H (reprint author), Tohoku Univ, Inst Fluid Sci, Aoba Ku, 2-1-1 Katahira, Sendai, Miyagi 9808577, Japan. EM nakamura@edyn.ifs.tohoku.ac.jp RI Nakamura, Hisashi/D-9595-2012; Mehl, Marco/A-8506-2009; OI Nakamura, Hisashi/0000-0002-3158-370X; Mehl, Marco/0000-0002-2227-5035; Curran, Henry/0000-0002-5124-8562 FU Saudi Arabian Oil Company; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; US Department of Energy, Office of Vehicle Technologies; Japan Society of the Promotion for Science FX NUIG acknowledge the financial support of the Saudi Arabian Oil Company. The LLNL work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the US Department of Energy, Office of Vehicle Technologies (program manager Gurpreet Singh). Co-author HN acknowledges the financial support "Young Researcher Overseas Visits Program for Vitalizing Brain Circulation" from Japan Society of the Promotion for Science. NR 47 TC 32 Z9 32 U1 6 U2 39 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD JAN PY 2014 VL 161 IS 1 BP 49 EP 64 DI 10.1016/j.combustflame.2013.08.002 PG 16 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 257WU UT WOS:000327419300005 ER PT J AU Darcy, D Nakamura, H Tobin, CJ Mehl, M Metcalfe, WK Pitz, WJ Westbrook, CK Curran, HJ AF Darcy, D. Nakamura, H. Tobin, C. J. Mehl, M. Metcalfe, W. K. Pitz, W. J. Westbrook, C. K. Curran, H. J. TI A high-pressure rapid compression machine study of n-propylbenzene ignition SO COMBUSTION AND FLAME LA English DT Article DE Rapid compression machine; Shock tube; Ignition; Propylbenzene; Ignition delay times; Butylbenzene ID SHOCK-TUBE; OXIDATION; COMBUSTION; HYDROCARBONS; BUTYLBENZENE; AUTOIGNITION; ETHYLBENZENE; BENZENE AB This study presents new ignition delay data measured in a rapid compression machine over a wide range temperature, pressure and fuel/air ratio. This data is an extension of that measured previously (D. Darcy, C.J. Tobin, K. Yasunaga, J.M. Simmie, J. Wiirmel, T. Niass, O. Mathieu, S.S. Ahmed, C.K. Westbrook, H.J. Curran, Combust. Flame, 159 (2012) 2219-2232.) for the oxidation of n-propylbenzene in a high-pressure shock tube. The data was obtained for equivalence ratios of 0.29, 0.48, 0.96, and 1.92, at compressed gas pressures of 10, 30 and 50 atm, and over the temperature range of 650-1000 K. Experimental data was also obtained at 50 atm for all equivalence ratios in our new heated high-pressure shock tube and this is also presented here. Comparisons between the data obtained in both the rapid compression machine and the shock tube facilities showed excellent agreement. A previously published chemical kinetic mechanism has been improved and a low-temperature reaction mechanism has been added to simulate ignition delay times at the lower temperature conditions of this study by adding the appropriate species and reactions including alkyl-peroxyl and hydroperoxy-alkyl radical chemistry. Special attention was given to R(O) over dot(2) isomerizations and H(O) over dot(2) elimination reactions involving the secondary benzylic site on n-propylbenzene to obtain good agreement with the present experimental results. In general, good agreement was obtained between the model and experiments and consistent trends were observed and these are discussed. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Darcy, D.; Nakamura, H.; Tobin, C. J.; Metcalfe, W. K.; Curran, H. J.] NUI Galway, Combust Chem Ctr, Galway, Ireland. [Nakamura, H.] Tohoku Univ, Inst Fluid Sci, Aoba Ku, Sendai, Miyagi 9808577, Japan. [Mehl, M.; Pitz, W. J.; Westbrook, C. K.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Nakamura, H (reprint author), Tohoku Univ, Inst Fluid Sci, Aoba Ku, 2-1-1 Katahira, Sendai, Miyagi 9808577, Japan. EM nakamura@edyn.ifs.tohoku.ac.jp RI Nakamura, Hisashi/D-9595-2012; Mehl, Marco/A-8506-2009; OI Nakamura, Hisashi/0000-0002-3158-370X; Mehl, Marco/0000-0002-2227-5035; Curran, Henry/0000-0002-5124-8562 FU Saudi Arabian Oil Company; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; US Department of Energy, Office of Vehicle Technologies; Japan Society of the Promotion for Science FX NUIG acknowledge the financial support of the Saudi Arabian Oil Company. The LLNL work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the US Department of Energy, Office of Vehicle Technologies (program manager Gurpreet Singh). Co-author H.N. acknowledges the financial support "Young Researcher Overseas Visits Program for Vitalizing Brain Circulation" from Japan Society of the Promotion for Science. NR 35 TC 28 Z9 28 U1 4 U2 39 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD JAN PY 2014 VL 161 IS 1 BP 65 EP 74 DI 10.1016/j.combustflame.2013.08.001 PG 10 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 257WU UT WOS:000327419300006 ER PT J AU Jasper, AW Miller, JA AF Jasper, Ahren W. Miller, James A. TI Lennard-Jones parameters for combustion and chemical kinetics modeling from full-dimensional intermolecular potentials SO COMBUSTION AND FLAME LA English DT Article DE Lennard-Jones parameters; Transport; Anisotropy; Intermolecular potential; Ab initio; Quantum chemistry ID COLLISIONAL ENERGY-TRANSFER; UNIMOLECULAR REACTIONS; APPROXIMATIONS; HYDROCARBONS; LIMIT; CH4 AB Lennard-Jones parameters for use in combustion modeling, as transport parameters and in pressure-dependent rate-coefficient calculations as collision rate parameters, are calculated from accurate full-dimensional intermolecular potentials. Several first-principles theoretical methods are considered. In the simplest approach, the intermolecular potential is spherically averaged and used to determine Lennard-Jones parameters. This method works well for small species, but it is not suitable for larger species due to unphysical averaging over the repulsive wall. Another method considered is based on full-dimensional trajectory calculations of binary collisions. This method is found to be very accurate, predicting Lennard-Jones collision rates within similar to 10% of those obtained via tabulated (experimentally-based) Lennard-Jones parameters. Finally, a computationally efficient method is presented based on one-dimensional minimizations averaged over the colliding partners' relative orientations. This method is shown to be both accurate and efficient. The good accuracy of the latter two approaches is shown to be a result of their explicit treatment of anisotropy. The effects of finite temperature vibrations and multiple conformers are quantified and are shown to be small. The choice of potential energy surface has a somewhat larger effect, and strategies based both on efficient semiempirical methods and on first-principles direct dynamics are considered. Overall, 75 systems are considered, including seven baths, targets as large as heptane, both molecules and radicals, and both hydrocarbons and oxygenates. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Jasper, Ahren W.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Miller, James A.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Jasper, AW (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969, Livermore, CA 94551 USA. EM ajasper@sandia.gov RI Jasper, Ahren/A-5292-2011 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; United States Department of Energy [DE-AC04-94-AL85000]; ASC-HPCC (ANL FWP) [DE-AC02-2006-CH11357, 59044] FX A.W.J. was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract No. DE-AC04-94-AL85000. J.A.M. was supported under Contract Number DE-AC02-2006-CH11357 as part of the ASC-HPCC (ANL FWP #59044). Software development was supported in part by the AITSTME project as part of the Predictive Theory and Modeling component of the Materials Genome Initiative. NR 29 TC 32 Z9 32 U1 7 U2 44 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD JAN PY 2014 VL 161 IS 1 BP 101 EP 110 DI 10.1016/j.combustflame.2013.08.004 PG 10 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 257WU UT WOS:000327419300009 ER PT J AU Ebeida, MS Awad, MA Ge, XY Mahmoud, AH Mitchell, SA Knupp, PM Wei, LY AF Ebeida, Mohamed S. Awad, Muhammad A. Ge, Xiaoyin Mahmoud, Ahmed H. Mitchell, Scott A. Knupp, Patrick M. Wei, Li-Yi TI Improving spatial coverage while preserving the blue noise of point sets SO COMPUTER-AIDED DESIGN LA English DT Article; Proceedings Paper CT Conference on Geometric and Physical Modeling - SIAM CY NOV 11-14, 2013 CL Denver, CO DE Optimization; Voronoi aspect ratio; Disk; Triangulation ID VORONOI TESSELLATIONS; WANG TILES; OPTIMIZATION; FRACTURE AB We explore the notion of a Well-spaced Blue-noise Distribution (WBD) of points, which combines two desirable properties. First, the point distribution is random, as measured by its spectrum having blue noise. Second, it is well-spaced in the sense that the minimum separation distance between samples is large compared to the maximum coverage distance between a domain point and a sample, i.e. its Voronoi cell aspect ratios 2 beta(i) are small. It is well known that maximizing one of these properties destroys the other: uniform random points have no aspect ratio bound, and the vertices of an equilateral triangular tiling have no randomness. However, we show that there is a lot of room in the middle to get good values for both. Maximal Poisson-disk sampling provides beta = 1 and blue noise. We show that a standard optimization technique can improve the well-spacedness while preserving randomness. Given a random point set, our Opt-beta(i) algorithm iterates over the points, and for each point locally optimizes its Voronoi cell aspect ratio 2 beta(i). It can improve beta(i) to a large fraction of the theoretical bound given by a structured tiling: improving from 1.0 to around 0.8, about half-way to 0.58, while preserving most of the randomness of the original set. In terms of both beta and randomness, the output of Opt-beta(i) compares favorably to alternative point improvement techniques, such as centroidal Voronoi tessellation with a constant density function, which do not target beta directly. We demonstrate the usefulness of our output through meshing and filtering applications. An open problem is constructing from scratch a WBD distribution with a guarantee of beta < 1. Published by Elsevier Ltd C1 [Ebeida, Mohamed S.; Mitchell, Scott A.; Knupp, Patrick M.] Sandia Natl Labs, Livermore, CA 94550 USA. [Awad, Muhammad A.; Mahmoud, Ahmed H.] Univ Alexandria, Alexandria, Egypt. [Ge, Xiaoyin] Ohio State Univ, Columbus, OH 43210 USA. [Wei, Li-Yi] Univ Hong Kong, Hong Kong, Hong Kong, Peoples R China. RP Ebeida, MS (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM msebeid@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 44 TC 3 Z9 3 U1 0 U2 1 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0010-4485 EI 1879-2685 J9 COMPUT AIDED DESIGN JI Comput.-Aided Des. PD JAN PY 2014 VL 46 SI SI BP 25 EP 36 DI 10.1016/j.cad.2013.08.015 PG 12 WC Computer Science, Software Engineering SC Computer Science GA 263TJ UT WOS:000327830600004 ER PT J AU Malaestean, IL Alici, MK Besson, C Ellern, A Kogerler, P AF Malaestean, Iurie L. Alici, Meliha Kutluca Besson, Claire Ellern, Arkady Koegerler, Paul TI Solid-state coexistence of {Zr-12} and {Zr-6} zirconium oxocarboxylate clusters SO CRYSTENGCOMM LA English DT Article ID ZR6O4(OH)(4)(OOCR)(12) AB Ligand metathesis, Co(II) coordination, and partial condensation reactions of an archetypal {Zr-6} zirconium oxocarboxylate cluster result in the first example of the coexistence of the distinct zirconium oxide frameworks {Zr6O8} and {Zr12O22}. Even minor modifications to the reaction conditions push this apparent equilibrium towards the {Zr6O8}-based product. C1 [Malaestean, Iurie L.; Alici, Meliha Kutluca; Besson, Claire; Koegerler, Paul] Rhein Westfal TH Aachen, Inst Inorgan Chem, D-52074 Aachen, Germany. [Ellern, Arkady] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Malaestean, IL (reprint author), Rhein Westfal TH Aachen, Inst Inorgan Chem, D-52074 Aachen, Germany. EM paul.koegerler@ac.rwth-aachen.de RI Kogerler, Paul/H-5866-2013; OI Kogerler, Paul/0000-0001-7831-3953; Besson, Claire/0000-0002-0502-3610 NR 11 TC 2 Z9 2 U1 1 U2 10 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 2014 VL 16 IS 1 BP 43 EP 46 DI 10.1039/c3ce41829d PG 4 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 260PN UT WOS:000327606900008 ER PT J AU Arruda, TM Lawton, JS Kumar, A Unocic, RR Kravchenko, II Zawodzinski, TA Jesse, S Kalinin, SV Balke, N AF Arruda, Thomas M. Lawton, Jamie S. Kumar, Amit Unocic, Raymond R. Kravchenko, Ivan I. Zawodzinski, Thomas A. Jesse, Stephen Kalinin, Sergei V. Balke, Nina TI In Situ Formation of Micron-Scale Li-Metal Anodes with High Cyclability SO ECS ELECTROCHEMISTRY LETTERS LA English DT Article ID LITHIUM-ION BATTERY; OXYGEN REDUCTION/EVOLUTION REACTIONS; THIN-FILM LITHIUM; NANOSCALE; ELECTROLYTES; NUCLEATION; ELECTRODES; VOLTAGE AB Scanning probe microscopy methods have been used to electrodeposit and cycle micron-scale Li anodes deposited electrochemically under nanofabricated Au current collectors. An average Li volume of 5 x 10(8) nm(3) was deposited and cycled with 100% coulombic efficiency for similar to 160 cycles. Integrated charge/discharge values agree with before/after topography, as well as in situ dilatometry, suggesting this is a reliable method to study solid-state electrochemical processes. In this work we illustrate the possibility to deposit highly cyclable nanometer thick Li electrodes by mature SPM and nanofab techniques which can pave the way for inexpensive nanoscale battery arrays. (C) 2013 The Electrochemical Society. All rights reserved. C1 [Arruda, Thomas M.; Kumar, Amit; Unocic, Raymond R.; Kravchenko, Ivan I.; Jesse, Stephen; Kalinin, Sergei V.; Balke, Nina] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Lawton, Jamie S.; Zawodzinski, Thomas A.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37916 USA. [Unocic, Raymond R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Arruda, TM (reprint author), Salve Regina Univ, Dept Chem, Newport, RI 02840 USA. EM balken@ornl.gov RI Kumar, Amit/C-9662-2012; Kravchenko, Ivan/K-3022-2015; Balke, Nina/Q-2505-2015; Kalinin, Sergei/I-9096-2012; Jesse, Stephen/D-3975-2016 OI Kumar, Amit/0000-0002-1194-5531; Kravchenko, Ivan/0000-0003-4999-5822; Balke, Nina/0000-0001-5865-5892; Kalinin, Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483 FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division through the Office of Science Early Career Research Program; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; NSF [EPS-1004083]; Bioanalytical Resources Facility at the University of Tennessee FX The experiments were designed and performed supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division through the Office of Science Early Career Research Program. Instrumental capabilities were provided and supported by 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. JSL and TAZ acknowledge support from the NSF-funded TN-SCORE program, NSF EPS-1004083 under Thrust 2, and the Bioanalytical Resources Facility at the University of Tennessee for use of the EPR instrumentation. NR 25 TC 0 Z9 0 U1 6 U2 53 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 2014 VL 3 IS 1 BP A4 EP A7 DI 10.1149/2.003401eel PG 4 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 262TT UT WOS:000327761200002 ER PT J AU Mikaelian, KO AF Mikaelian, Karnig O. TI Comment on "The effect of viscosity, surface tension and non-linearity on Richtmyer-Meshkov instability" [Eur. J. Mech. B Fluids 21 (2002) 511-526] SO EUROPEAN JOURNAL OF MECHANICS B-FLUIDS LA English DT Editorial Material DE Richtmyer-Meshkov instability; Theoretical; Surface tension; Viscosity ID RAYLEIGH-TAYLOR AB We point out that a recent paper on the Richtmyer-Meshkov instability with surface tension or viscosity has limited application and could yield bad approximations outside its range of validity. (C) 2013 Elsevier Masson SAS. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Mikaelian, KO (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM mikaelian1@llnl.gov NR 7 TC 1 Z9 1 U1 2 U2 20 PU GAUTHIER-VILLARS/EDITIONS ELSEVIER PI PARIS PA 23 RUE LINOIS, 75015 PARIS, FRANCE SN 0997-7546 EI 1873-7390 J9 EUR J MECH B-FLUID JI Eur. J. Mech. B-Fluids PD JAN-FEB PY 2014 VL 43 BP 183 EP 184 DI 10.1016/j.euromechflu.2013.08.009 PG 2 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 262RH UT WOS:000327754800019 ER PT J AU Mack, JH Rapp, VH Broeckelmann, M Lee, TS Dibble, RW AF Mack, J. Hunter Rapp, Vi H. Broeckelmann, Malte Lee, Taek Soon Dibble, Robert W. TI Investigation of biofuels from microorganism metabolism for use as anti-knock additives SO FUEL LA English DT Article DE Octane; Blending; Knock; Spark ignition; Biofuel ID ESCHERICHIA-COLI; ETHANOL; FUELS; DECONSTRUCTION; ALCOHOLS; BIOMASS AB This paper investigates the anti-knock properties of biofuels that can be produced from microorganism metabolic processes. The biofuels are rated using Research Octane Number (RON) and Blending Research Octane Number (BRON), which determine their potential as additives for fuel in spark ignition (SI) engines. Tests were conducted using a single-cylinder Cooperative Fuel Research (CFR) engine and performance of the biofuels was compared to primary reference fuels (PRFs). The investigated fuels include 3-methyl-2-buten-1-ol, 3-methyl-3-buten-1-ol, 2-methylpropan-1-ol (isobutanol), and limonene. Results show that 3-methyl-2-buten-1-ol, 3-methyl-3-buten-1-ol, and 2-methylpropan-1-ol (isobutanol) sufficiently improve the anti-knock properties of gasoline. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Mack, J. Hunter; Rapp, Vi H.; Dibble, Robert W.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Broeckelmann, Malte] Karlsruhe Inst Technologly, Dept Mech Engn, D-76128 Karlsruhe, Germany. [Lee, Taek Soon] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Lee, Taek Soon] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Mack, JH (reprint author), Univ Calif Berkeley, Dept Mech Engn, Hesse Hall 64, Berkeley, CA 94720 USA. EM hmack@berkeley.edu; VHRapp@lbl.gov; Malte-B@web.de; SLee@lbl.gov; dibble@me.berkeley.edu OI Mack, John Hunter/0000-0002-5455-8611 FU US. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX This work was part of the DOE Joint BioEnergy Institute supported by the US. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the US. Department of Energy. NR 32 TC 6 Z9 6 U1 0 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 EI 1873-7153 J9 FUEL JI Fuel PD JAN PY 2014 VL 117 BP 939 EP 943 DI 10.1016/j.fuel.2013.10.024 PN B PG 5 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 262WA UT WOS:000327767400005 ER PT J AU Lam, PY Lam, PS Sokhansanj, S Bi, XTT Lim, CJ Melin, S AF Lam, Pak Yiu Lam, Pak Sui Sokhansanj, Shahab Bi, Xiaotao T. Lim, C. Jim Melin, Staffan TI Effects of pelletization conditions on breaking strength and dimensional stability of Douglas fir pellet SO FUEL LA English DT Article DE Wood pellets; Elastic modulus; Stress relaxation; Hardness; Pelletization ID PSEUDOTSUGA-MENZIESII L.; POWDERS; WOOD; EQUATIONS AB The compression behavior of Douglas fir ground particles using a heated piston-cylinder unit was investigated. A complete randomized design (CRD) of experiment with three factors (die temperature, applied pressure and relaxation time), three levels and five replicates were studied. From the analysis of variance (ANOVA) with alpha = 0.05, all of the three pelletization factors were significant parameters to the maximum breaking strength and the relaxed pellet density. The significant factors to the initial pellet density of pellets were the die temperature and the applied pressure. Three out of five compaction models of Walker, Jones, Kawakita and Ludde were well described to the compression behavior of Douglas fir ground particles with R-2 values between 0.90 and 0.99. The optimum processing condition to produce the best quality of Douglas fir pellets was 100 degrees C die temperature, 126 MPa applied pressure and 30 s relaxation time. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Lam, Pak Yiu; Lam, Pak Sui; Sokhansanj, Shahab; Bi, Xiaotao T.; Lim, C. Jim; Melin, Staffan] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Lam, PS (reprint author), Univ British Columbia, Dept Chem & Biol Engn, 2360 East Mall, Vancouver, BC V6T 1Z3, Canada. EM wilsonlam82@yahoo.com FU Natural Sciences and Engineering Research Council of Canada (NSERC-CRD Grant) [CRDPJ342219-06]; Wood Pellet Association of Canada [11R42500]; Office of Biomass Program of the US Department of Energy FX This research is funded in parts by the Natural Sciences and Engineering Research Council of Canada (NSERC-CRD Grant: CRDPJ342219-06); Wood Pellet Association of Canada (Grant-11R42500). We acknowledge the support from Office of Biomass Program of the US Department of Energy. NR 36 TC 9 Z9 10 U1 1 U2 9 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 EI 1873-7153 J9 FUEL JI Fuel PD JAN PY 2014 VL 117 BP 1085 EP 1092 DI 10.1016/j.fuel.2013.10.033 PN B PG 8 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 262WA UT WOS:000327767400023 ER PT J AU Carraher, JM Ellern, A Bakac, A AF Carraher, Jack M. Ellern, Arkady Bakac, Andreja TI Preparation and reactivity of macrocyclic rhodium(III) alkyl complexes SO INORGANICA CHIMICA ACTA LA English DT Article DE Alkylrhodium; Synthesis; X-ray; NMR; Photochemistry ID STRUCTURE-PROPERTY RELATIONSHIP; VARIABLE-TEMPERATURE H-1-NMR; HYDROGEN-ATOM TRANSFER; PHOTOCHEMICAL GENERATION; BRIDGED DICOBALOXIMES; CRYSTAL-STRUCTURE; AQUEOUS-SOLUTION; RADICALS; KINETICS; THERMODYNAMICS AB Macrocyclic rhodium(II) complexes LRh(H2O)(2+) (L = L-1 = cyclam and L-2 = meso-Me-6-cyclam) react with alkyl hydroperoxides RC(CH3)(2)OOH to generate the corresponding rhodium(III) alkyls L(H2O)RhR2+ (R = CH3, C2H5, PhCH2). Methyl and benzyl complexes can also be prepared by bimolecular group transfer from alkyl cobaloximes (dmgH)(2)(H2O) CoR and (dmgBF(2))(2)(H2O) CoR (R = CH3, PhCH2) to LRh(H2O)(2+). The new complexes were characterized by solution NMR and by crystal structure analysis. They exhibit great stability in aqueous solution at room temperature, but undergo efficient Rh-C bond cleavage upon photolysis. (C) 2013 Elsevier B.V. All rights reserved. C1 [Carraher, Jack M.; Bakac, Andreja] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Carraher, Jack M.; Ellern, Arkady; Bakac, Andreja] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Bakac, A (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM carraher@iastate.edu; ellern@iastate.edu; bakac@ameslab.gov FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory; U.S. Department of Energy [DE-AC02-07CH11358] FX We are grateful to Dr. Veysey for help with elemental analysis, Dr. Cady for assistance with HSQC experiments, J. Berry and Dr. Houk for help with ICP experiments, and Dr. Pestovsky for helpful discussions. This research is supported 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 DE-AC02-07CH11358. NR 34 TC 0 Z9 0 U1 0 U2 16 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0020-1693 EI 1873-3255 J9 INORG CHIM ACTA JI Inorg. Chim. Acta PD JAN 1 PY 2014 VL 409 BP 254 EP 258 DI 10.1016/j.ica.2013.09.022 PN B PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 259MR UT WOS:000327531500010 ER PT J AU Lamont, JA Ekkad, SV Alvin, MA AF Lamont, Justin A. Ekkad, Srinath V. Alvin, Mary Anne TI Effect of Rotation on Detailed Heat Transfer Distribution for Various Rib Geometries in Developing Channel Flow SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE rotation; heat transfer; channel flow; entrance effects ID 2-PASS SQUARE CHANNEL; SERPENTINE PASSAGES; FLUID-FLOW; TURBULATORS; AR=4/1; DUCT AB The effects of Coriolis force and centrifugal buoyancy have a significant impact on heat transfer behavior inside rotating internal serpentine coolant channels for turbine blades. Due to the complexity of added rotation inside such channels, detailed knowledge of the heat transfer will greatly enhance the blade designer's ability to predict hot spots so coolant may be distributed more effectively. The effects of high rotation numbers are investigated on the heat transfer distributions for different rib types in near entrance and entrance region of the channels. It is important to determine the actual enhancement derived from turbulating channel entrances where heat transfer is already high due to entrance effects and boundary layer growth. A transient liquid crystal technique is used to measure detailed heat transfer coefficients (htc) for a rotating, short length, radially outward coolant channel with rib turbulators. Different rib types such as 90 deg, W, and M-shaped ribs are used to roughen the walls to enhance heat transfer. The channel Reynolds number is held constant at 12,000 while the rotation number is increased up to 0.5. Results show that in the near entrance region, the high performance W and M-shaped ribs are just as effective as the simple 90 deg ribs in enhancing heat transfer. The entrance effect in the developing region causes significantly high baseline heat transfer coefficients thus reducing the effective of the ribs to further enhance heat transfer. Rotation causes increase in heat transfer on the trailing side, while the leading side remains relatively constant limiting the decrement in leading side heat transfer. For all rotational cases, the W and M-shaped ribs show significant effect of rotation with large differences between leading and trailing side heat transfer. C1 [Lamont, Justin A.; Ekkad, Srinath V.] Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA. [Alvin, Mary Anne] DOE Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Lamont, JA (reprint author), Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA. EM jalamont@vt.edu; sekkad@vt.edu; Maryanne.Alvin@NETL.DOE.GOV RI Ekkad, Srinath/E-9112-2014 FU National Energy Technology Laboratory under RES [DE-FE0004000]; U.S. Department of Education's Graduate Assistance in Areas of National Need (GAANN) fellowship through the Virginia Tech Mechanical Engineering Department FX This technical effort was performed in partial support of the National Energy Technology Laboratory's ongoing research in gas turbine cooling under the RES Contract No. DE-FE0004000. The authors would also like to thank the U.S. Department of Education's Graduate Assistance in Areas of National Need (GAANN) fellowship provided through the Virginia Tech Mechanical Engineering Department. NR 20 TC 4 Z9 4 U1 3 U2 20 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 EI 1528-8943 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD JAN PY 2014 VL 136 IS 1 AR 011901 DI 10.1115/1.4025211 PG 10 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 264BM UT WOS:000327852000006 ER PT J AU Mitri, E Birarda, G Vaccari, L Kenig, S Tormen, M Grenci, G AF Mitri, Elisa Birarda, Giovanni Vaccari, Lisa Kenig, Sasa Tormen, Massimo Grenci, Gianluca TI SU-8 bonding protocol for the fabrication of microfluidic devices dedicated to FTIR microspectroscopy of live cells SO LAB ON A CHIP LA English DT Article ID INFRARED MICROSPECTROSCOPY; AQUEOUS-SOLUTIONS; LIVING CELLS; SPECTRAL SUBTRACTION; IR SPECTRA; AMIDE-I; WATER; SPECTROSCOPY; PROTEINS; SPECTROMICROSCOPY AB Here we present a new bonding protocol for SU-8 negative tone photoresist that exploits the chemical modifications induced in the resin by exposure to 254 nm (UVC) light. Fourier Transform Infrared microspectroscopy (mu-FTIR) was used to carry out a thorough study on the chemical processes and modifications occurring within the epoxy resin by exposure to 365 nm and 254 nm light. In particular, we established that UVC light promotes the opening of the epoxy rings bypassing the post-exposure bake. The possibility to promote a further activation of the resin, already patterned with standard UV lithography, was exploited to produce closed microfluidic devices. Specifically, we were able to fabricate fluidic chips, characterized by broadband transparency from mid-IR to UV and long term stability in continuous flow conditions. CaF2 was used as substrate, coated by sputtering with a nanometric silicon film, in order to make surface properties of this material more suitable for standard fabrication processes with respect to the original substrate. The fabricated microfluidic chips were used to study by mu-FTIR the biochemical response of live breast cancer MCF-7 cells to osmotic stress and their subsequent lysis induced by the injection of deionized water in the device. mu-FTIR analyses detected fast changes in protein, lipid and nucleic acid content as well as cytosol acidification. C1 [Mitri, Elisa; Tormen, Massimo; Grenci, Gianluca] CNR IOM, TASC Lab, I-34149 Trieste, Italy. [Mitri, Elisa] Univ Trieste, I-34100 Trieste, Italy. [Birarda, Giovanni] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Vaccari, Lisa] Elettra Synchrotron Light Lab, I-34149 Trieste, Italy. [Kenig, Sasa] Elettra Sincrotrone Trieste, Struct Biol Lab, I-34149 Trieste, Italy. [Grenci, Gianluca] Natl Univ Singapore, Mechanobiol Inst MBI, Singapore 117548, Singapore. RP Mitri, E (reprint author), CNR IOM, TASC Lab, SS 14 Km 163-5 Basovizza, I-34149 Trieste, Italy. EM mitri@iom.cnr.it; mibgg@nus.edu.sg OI Kenig, Sasa/0000-0003-4272-3058 NR 46 TC 12 Z9 12 U1 3 U2 46 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 EI 1473-0189 J9 LAB CHIP JI Lab Chip PY 2014 VL 14 IS 1 BP 210 EP 218 DI 10.1039/c3lc50878a PG 9 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 261MK UT WOS:000327669000023 PM 24195959 ER PT J AU Royer, M AF Royer, Michael TI Lumen Maintenance and Light Loss Factors: Consequences of Current Design Practices for LEDs SO LEUKOS LA English DT Article DE energy savings; lamp lumen depreciation; light emitting diode (LED); light loss factor; solid-state lighting AB Light loss factors are used to help lighting systems meet quantitative design criteria throughout the life of the installation, but they also carry ancillary consequences, such as influencing first cost and energy use. As the type of light sources being specified continues to evolve, it is an appropriate time to evaluate the methods used in calculating light loss factors and understand the broad effects of performance attributes like lumen maintenance. Because of the unique operating characteristics of light emitting diodes (LEDs) and lack of a comprehensive lifetime rating-as well as the problematic relationship between lifetime and lumen maintenance-determining an appropriate lamp lumen depreciation (LLD) factor for LED products is difficult. The IES recommends using an LLD of not greater than 0.70 when quantity of light is an important design consideration. This approach deviates from the typical practice for conventional sources of using the ratio of mean to initial lumen output and may misrepresent actual performance, increase energy use, and inhibit comparisons between products. This article discusses the complications related to LLD and LEDs, compares the performance of some conventional and LED products, and examines alternatives to the current recommended approach for determining LLDs for LED products. C1 Pacific NW Natl Lab, Portland, OR 97204 USA. RP Royer, M (reprint author), Pacific NW Natl Lab, 620 SW 5th Ave,Suite 810, Portland, OR 97204 USA. EM michael.royer@pnnl.gov NR 11 TC 4 Z9 4 U1 1 U2 4 PU ILLUMINAT ENG SOC NORTH AMER PI NEW YORK PA 120 WALL ST, 17TH FL, NEW YORK, NY 10005-4001 USA SN 1550-2724 EI 1550-2716 J9 LEUKOS JI Leukos PY 2014 VL 10 IS 2 BP 77 EP 86 DI 10.1080/15502724.2013.855613 PG 10 WC Construction & Building Technology; Optics SC Construction & Building Technology; Optics GA 264LJ UT WOS:000327878400003 ER PT J AU Ni, PA Bieniosek, FM Henestroza, E Lidia, SM AF Ni, P. A. Bieniosek, F. M. Henestroza, E. Lidia, S. M. TI A multi-wavelength streak-optical-pyrometer for warm-dense matter experiments at NDCX-I and NDCX-II SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Temperature measurement; Pyrometry; Streak optical pyrometry; Warm-dense matter; Heavy ion beam heating AB We report on a multi-wavelenglh streak-optical-pyrometer (SOP) developed the for warm-dense-matter (WDM) experiments at the existing NDCX-I facility and the NDCX-II facility currently being commissioned at LBNL. The SOP served as the primary temperature diagnostic in the recent NDCX-I experiments, in which an intense K+ beam was used to heat different metal samples into WDM states. The SOP consists of a spectral grating (visible and near-infrared spectral range) and a fast, high-dynamic-range optical streak camera. The instrument is calibrated absolutely with a NIST-traceable tungsten ribbon lamp and can itself be considered as an absolutely calibrated, time-resolving spectrometer. The sample temperature is determined from fitting the recorded thermal spectrum into the Planck formula multiplied by a model of emissivity. Published by Elsevier B.V. C1 [Ni, P. A.; Bieniosek, F. M.; Henestroza, E.; Lidia, S. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ni, PA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM pani@lbl.gov NR 9 TC 4 Z9 4 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 12 EP 17 DI 10.1016/j.nima.2013.05.102 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800005 ER PT J AU Fukushima, K Ito, K Okamoto, H Yamaguchi, S Moriya, K Higaki, H Okano, T Lund, SM AF Fukushima, K. Ito, K. Okamoto, H. Yamaguchi, S. Moriya, K. Higaki, H. Okano, T. Lund, S. M. TI Experimental verification of resonance instability bands in quadrupole doublet focusing channels SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Space-charge-dominated beams; Linear Paul trap; Collective beam resonances; Alternating-gradient focusing channel ID EXPERIMENTAL BEAM PHYSICS; TRAP; FIELD AB The tabletop plasma trap experiment named "S-POD" is employed to explore the stability of intense charged-particle beams focused by a series of quadrupole doublet cells. S-POD is a compact linear Paul-trap, where we generate a single-species non-neutral ion plasma that can approximately reproduce the collective motion of an intense beam focused by periodic linear forces. Unlike conventional beam-dynamics experiments relying on large-scale transport channels and accelerators, it is straightforward in S-POD to control the functional form of quadrupole beam focusing over a wide range of variation to explore a variety of quadrupole focusing lattices. We systematically measure the loss rate of trapped particles as a function of bare betatron tune to locate resonance bands in which the plasma becomes unstable. It is confirmed that a few bands of coherent resonances appear depending on the beam intensity. When there is an imbalance between the horizontal and vertical focusing, those instability bands split. Experimental results indicate that the instability band is relatively insensitive to the phase of quadrupole focusing element placement within the doublet configuration over a significant range of parameters. Experimental observations are compared with transverse slice particle-in-cell simulations carried out using the Warp code. (C) 2013 Elsevier B.V. All rights reserved. C1 [Fukushima, K.; Ito, K.; Okamoto, H.; Yamaguchi, S.; Moriya, K.; Higaki, H.; Okano, T.] Hiroshima Univ, Grad Sch Adv Sci Matter, Higashihiroshima 7398530, Japan. [Lund, S. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Fukushima, K (reprint author), Hiroshima Univ, Grad Sch Adv Sci Matter, 1-3-1 Kagamiyama, Higashihiroshima 7398530, Japan. EM d134473@hiroshima-u.ac.jp; okamoto@sci.hiroshima-u.ac.jp NR 25 TC 2 Z9 2 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 18 EP 24 DI 10.1016/j.nima.2013.05.101 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800006 ER PT J AU Barnard, JJ More, RM Terry, M Friedman, A Henestroza, E Koniges, A Kwan, JW Ng, A Ni, PA Liu, W Logan, BG Startsev, E Yuen, A AF Barnard, J. J. More, R. M. Terry, M. Friedman, A. Henestroza, E. Koniges, A. Kwan, J. W. Ng, A. Ni, P. A. Liu, W. Logan, B. G. Startsev, E. Yuen, A. TI NDCX-II target experiments and simulations SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate ID ION INERTIAL FUSION; HEAVY-ION; DENSE MATTER; BEAMS; IMPLOSION; FACILITY; PHYSICS; LASER AB The ion accelerator NDCX-II is undergoing commissioning at Lawrence Berkeley National Laboratory (LBNL). Its principal mission is to explore ion-driven High Energy Density Physics (HEDP) relevant to Inertial Fusion Energy (IFE) especially in the Warm Dense Matter (WDM) regime. We have carried out hydrodynamic simulations of beam-heated targets for parameters expected for the initial configuration of NDCX-II. For metal foils of order one micron thick (thin targets), the beam is predicted to heat the target in a timescale comparable to the hydrodynamic expansion time for experiments that infer material properties from measurements of the resulting rarefaction wave. We have also carried out hydrodynamic simulations of beam heating of metallic foam targets several tens of microns thick (thick targets) in which the ion range is shorter than the areal density of the material. In this case shock waves will form and we derive simple scaling laws for the efficiency of conversion of ion energy into kinetic energy of fluid flow. Geometries with a tamping layer may also be used to study the merging of a tamper shock with the end-of-range shock. This process can occur in tamped, direct drive LEE targets. (C) 2013 Elsevier B.V. All rights reserved. C1 [Barnard, J. J.; More, R. M.; Terry, M.; Friedman, A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [More, R. M.; Henestroza, E.; Koniges, A.; Kwan, J. W.; Ni, P. A.; Liu, W.; Logan, B. G.; Yuen, A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Startsev, E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Ng, A.] Univ British Columbia, Vancouver, BC V5Z 1M9, Canada. RP Barnard, JJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM jjbarnard@llnl.gov NR 34 TC 4 Z9 4 U1 2 U2 25 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 45 EP 50 DI 10.1016/j.nima.2013.05.096 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800011 ER PT J AU Mitrani, JM Kaganovich, ID Davidson, RC AF Mitrani, James M. Kaganovich, Igor D. Davidson, Ronald C. TI Mitigating chromatic effects on the transverse focusing of intense charged particle beams for heavy ion fusion SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Neutralized drift compression; Solenoid focusing; Chromatic effects AB A final focusing scheme designed to minimize chromatic effects is discussed. The Neutralized Drift Compression Experiment-II (NDCX-II) will apply a velocity tilt for longitudinal bunch compression, and a Final focusing solenoid (FFS) for transverse bunch compression. In the beam frame, neutralized drift compression causes a sufficiently large spread in axial momentum, p, resulting in chromatic effects on the final focal spot during transverse bunch compression. Placing a weaker solenoid upstream of a stronger final focusing solenoid (FFS) mitigates chromatic effects, and significantly improves transverse focusing for relevant NDCX-II parameters. (C) 2013 Elsevier B.V. All rights reserved. C1 [Mitrani, James M.; Kaganovich, Igor D.; Davidson, Ronald C.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Mitrani, JM (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM jmitrani@pppl.gov NR 13 TC 2 Z9 2 U1 2 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 65 EP 69 DI 10.1016/j.nima.2013.05.093 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800014 ER PT J AU Gilson, EP Davidson, RC Efthimion, PC Kaganovich, ID Kwan, JW Lidia, SM Ni, PA Roy, PK Seidl, PA Waldron, WL Barnard, JJ Friedman, A AF Gilson, E. P. Davidson, R. C. Efthimion, P. C. Kaganovich, I. D. Kwan, J. W. Lidia, S. M. Ni, P. A. Roy, P. K. Seidl, P. A. Waldron, W. L. Barnard, J. J. Friedman, A. TI Ferroelectric plasma sources for NDCX-II and heavy ion drivers SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Plasma sources; Neutralized transport; Beam neutralization AB A barium titanate ferroelectric cylindrical plasma source has been developed, tested and delivered for the Neutralized Drift Compression Experiment NDCX-II at Lawrence Berkeley National Laboratory (LBNL). The plasma source design is based on the successful design of the NDCX-I plasma source. A 7 kV pulse applied across the 3.8 mm thick ceramic cylinder wall produces a large polarization surface charge density that leads to breakdown and plasma formation. The plasma that fills the NDCX-II drift section upstream of the final focusing solenoid has a plasma number density exceeding 10(10)) cm(-3) and an electron temperature of several eV. The operating principle of the ferroelectric plasma source are reviewed and a detailed description of the installation plans is presented. The criteria for plasma sources with larger number density will be given, and concepts will be presented for plasma sources for driver applications. Plasma sources for drivers will need to be highly reliable, and operate at several Hz for millions of shots. (C) 2013 Elsevier B.V. All rights reserved C1 [Gilson, E. P.; Davidson, R. C.; Efthimion, P. C.; Kaganovich, I. D.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Kwan, J. W.; Lidia, S. M.; Ni, P. A.; Roy, P. K.; Seidl, P. A.; Waldron, W. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Barnard, J. J.; Friedman, A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Gilson, EP (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM egilson@pppl.gov NR 12 TC 2 Z9 2 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 75 EP 79 DI 10.1016/j.nima.2013.05.091 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800016 ER PT J AU Startsev, EA Kaganovich, ID Davidson, RC AF Startsev, Edward A. Kaganovich, Igor D. Davidson, Ronald C. TI Effects of beam-plasma instabilities on neutralized propagation of intense ion beams in background plasma SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Fusion; Plasma; Heavy-ion beam; Two stream instability; Focusing ID CHARGED-PARTICLE BEAM; 2-STREAM INSTABILITY AB The streaming of an intense ion beam relative to background plasma can cause the development of fast electrostatic collective instabilities. The plasma waves produced by the two-stream instability modify the ion beam current neutralization and produce non-linear average forces which can lead to defocusing of the ion beam. Recently, a theoretical model describing the average de-focusing forces acting on the beam ions has been developed, and the scalings of the forces with beam-plasma parameters have been identified (Startsev et al in press[1]). These scalings can be used in the development of realistic ion beam compression scenarios in present and next-generation ion-beam-driven high energy density physics and heavy ion fusion experiments. In this paper the results of particle-in-cell simulations of ion beam propagation through neutralizing background plasma for NDCX-II parameters are presented. The simulation results show that the two-stream instability can play a significant role in the ion beam dynamics. The effects of velocity tilt on the development of the instability and ion beam compressibility for typical NDCX-II parameters are also simulated. It is shown that the two-stream instability may be an important factor in limiting the maximum longitudinal compression of the ion beam. (C) 2013 Elsevier B.V. All rights reserved. C1 [Startsev, Edward A.; Kaganovich, Igor D.; Davidson, Ronald C.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Startsev, EA (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM estartsev@pppl.gov NR 10 TC 4 Z9 4 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 80 EP 85 DI 10.1016/j.nima.2013.05.090 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800017 ER PT J AU Okamura, M Sekine, M Takahashi, K Kondo, K Kanesue, T AF Okamura, Masahiro Sekine, Megumi Takahashi, Kazumasa Kondo, Kotaro Kanesue, Takeshi TI Laser ablation ion source for heavy ion inertial fusion SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Heavy ion; Laser ion source; Laser ablation AB Laser ion source (LIS) is one of the promising candidates for the front end of heavy ion inertial fusion power plant. A LIS can provide low emittance high current heavy ion beams. Based on the performance of an existing LIS, the feasibilities of the ion source of heavy ion inertial fusion plant are investigated assuming both induction accelerator scheme and radio frequency (RF) accelerator scheme. By combining recently developed techniques, we can design LIS both for the induction and RF accelerator schemes. Published by Elsevier B.V. C1 [Okamura, Masahiro] Brookhaven Natl Lab, Upton, NY 11973 USA. [Sekine, Megumi; Kondo, Kotaro] Tokyo Inst Technol, Meguro Ku, Tokyo 1528550, Japan. [Takahashi, Kazumasa] Tokyo Inst Technol, Yokohama, Kanagawa 2268502, Japan. [Kanesue, Takeshi] Goethe Univ Frankfurt, Inst Angew Phys, D-60438 Frankfurt, Germany. RP Okamura, M (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM okamura@bnl.gov NR 8 TC 4 Z9 4 U1 3 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 97 EP 102 DI 10.1016/j.nima.2013.10.026 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800019 ER PT J AU Dorf, MA Zorin, VG Sidorov, AV Bokhanov, AF Izotov, IV Razin, SV Skalyga, VA AF Dorf, M. A. Zorin, V. G. Sidorov, A. V. Bokhanov, A. F. Izotov, I. V. Razin, S. V. Skalyga, V. A. TI Generation of multi-charged high current ion beams using the SMIS 37 gas-dynamic electron cyclotron resonance (ECR) ion source SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Intense ion beams; ECR ion source; Ion beam extraction ID MAGNETIC-FIELDS; EXTRACTION; SIMULATION AB A gas-dynamic ECR ion source (GaDIS) is distinguished by its ability to produce high current and high brightness beams of moderately charged ions. Contrary to a classical ECR ion source where the plasma confinement is determined by the slow electron scattering into an empty loss-cone, the higher density and lower electron temperature in a GaDIS plasma lead to an isotropic electron distribution with the confinement time determined by the prompt gas-dynamic flow losses. As a result, much higher ion fluxes are available; however a decrease in the confinement time of the GaDIS plasma lowers the ion charge state. The gas-dynamic ECR ion source concept has been successfully realized in the SMIS 37 experimental facility operated at the Institute of Applied Physics, Russia. The use of high-power (similar to 100 kW) microwave (37.5 GHz) radiation provides a dense plasma (similar to 10(13) cm(-3)) with a relatively low electron temperature (similar to 50-100 eV) and allows for the generation of high current (similar to 1 A/cm(2)) beams of multi-charged ions. In this work we report on the present status of the SMIS 37 ion source and discuss the advanced numerical modeling of ion beam extraction using the particle-in-cell code WARP. (C) 2013 Elsevier B.V. All rights reserved. C1 [Dorf, M. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Zorin, V. G.; Sidorov, A. V.; Bokhanov, A. F.; Izotov, I. V.; Razin, S. V.; Skalyga, V. A.] RAS, Inst Appl Phys, Nizhnii Novgorod 603950, Russia. RP Dorf, MA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM dorf1@llnl.gov NR 12 TC 3 Z9 3 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 107 EP 111 DI 10.1016/j.nima.2013.05.087 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800021 ER PT J AU Roy, PK Greenway, WG Grote, DP Kwan, JW Lidia, SM Seidl, PA Waldron, WL AF Roy, Prabir K. Greenway, Wayne G. Grote, Dave P. Kwan, Joe W. Lidia, Steven M. Seidl, Peter A. Waldron, William L. TI Lithium ion sources SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Ion source; Ion beam; Induction accelerator; Lithium ion sources ID HIGH-CURRENT DENSITY; PLASMA DIAGNOSTICS; POSITIVE-IONS; ELECTRON-GUN; LI; CATHODES; FUSION; BEAMS AB A 10.9 cm diameter lithium alumino-silicate ion source has been chosen as a source of -100 mA lithium ion current for the Neutralized Drift Compression Experiment (NDCX-II) at LBNL. Research and development was carried out on lithium alumino-silicate ion sources prior to NDCX-II source fabrication. Space-charge-limited emission with the current density exceeding 1 rnA/cm(2) was measured with 0.64 cm diameter lithium alumino-silicate ion sources at 1275 C. The beam current density is less for the first 10.9 cm diameter NDCX-II source, and it may be due to an issue of surface coverage. The lifetime of a thin coated (on a tungsten substrate) source is varied, roughly 40-50 h, when pulsed at 0.05 Hz and with pulse length of 6 mu s each, i.e., a duty factor of 3 x 10(-7), at an operating temperature of 1250-1275 degrees C. The 10.9 cm diameter source lifetime is likely the same as of a 0.64 cm source, but the lifetime of a source with a 2 mm diameter (without a tungsten substrate) is 10-15 h with a duty factor of 1 (DC extraction). The lifetime variation is dependent on the amount of deposition of is beta-eucryptite mass, and the surface temperature. The amount of mass deposition does not significantly alter the current density. More ion source work is needed to improve the large source performance. (C) 2013 Elsevier B.V. All rights reserved. C1 [Roy, Prabir K.; Greenway, Wayne G.; Kwan, Joe W.; Lidia, Steven M.; Seidl, Peter A.; Waldron, William L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Grote, Dave P.] Lawrence Livermore Natl Lab LLC, Livermore, CA 94550 USA. RP Roy, PK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pkroy@lbl.gov NR 28 TC 1 Z9 1 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 112 EP 118 DI 10.1016/j.nima.2013.05.086 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800022 ER PT J AU Okamoto, H Endo, M Fukushima, K Higaki, H Ito, K Moriya, K Yamaguchi, S Lund, SM AF Okamoto, H. Endo, M. Fukushima, K. Higaki, H. Ito, K. Moriya, K. Yamaguchi, S. Lund, S. M. TI Experimental simulation of beam propagation over long path lengths using radio-frequency and magnetic traps SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Space-charge-dominated beams; Linear Paul trap; Penning trap; Collective beam resonances; Beam halo formation; Resonance crossing ID HALO FORMATION; SPACE-CHARGE; FIELD; PHYSICS AB An overview is given of the novel beam-dynamics experiments based on compact non-neutral plasma traps at Hiroshima University. We have designed and constructed two different classes of trap systems, one of which uses a radio-frequency electric held (Paul trap) and the other uses an axial magnetic field (Penning trap) for transverse plasma confinement. These systems are called "S-POD" (Simulator for Particle Orbit Dynamics), The S-POD systems can approximately reproduce the collective motion of a charged-particle beam propagating through long alternating-gradient (AG) quadrupole focusing channels using the Paul trap and long continuous focusing channels using the Penning trap. This allows us to study various beam-dynamics issues in compact and inexpensive experiments without relying on large-scale accelerators. So far, the linear Paul traps have been applied for the study of resonance-related issues including coherent-resonance-induced stop bands and their dependence on AG lattice structures, resonance crossing in fixed-field AG accelerators, ultralow-emittance beam stability, etc. The Penning trap with multi-ring electrodes has been employed primarily for the study of beam halo formation driven by initial distribution perturbations. In this paper, we briefly overview the S-POD systems, and then summarize recent experimental results on resonance effects and halo formation. (C) 2013 Elsevier B.V. All rights reserved. C1 [Okamoto, H.; Endo, M.; Fukushima, K.; Higaki, H.; Ito, K.; Moriya, K.; Yamaguchi, S.] Hiroshima Univ, Grad Sch Adv Sci Matter, Higashihiroshima 7398530, Japan. [Lund, S. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Okamoto, H (reprint author), Hiroshima Univ, Grad Sch Adv Sci Matter, 1-3-1 Kagamiyama, Higashihiroshima 7398530, Japan. EM okamoto@sci.hiroshima-u.ac.jp NR 39 TC 1 Z9 1 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 119 EP 128 DI 10.1016/j.nima.2013.05.085 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800023 ER PT J AU Cohen, RH AF Cohen, R. H. TI Electron cloud considerations for HIF drivers SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Accelerator; Fusion; Heavy-ion; Induction; Simulation; Beam ID BEAMS AB We review some previous results on electron cloud dynamics and accumulation and the impact of electron clouds on ion beam dynamics, and assess these in the context of a magnetic-quadrupole-based heavy ion fusion driver. We present a new analysis which exploits analytic solution of linearized envelope equations between accelerating gaps to derive a set of mapping equations which we use to extrapolate from previously obtained particle-simulation results for a beam transport system to an HIF driver. (C) 2013 Published by Elsevier B.V. C1 [Cohen, R. H.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Cohen, RH (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM rhcohen@lbl.gov NR 12 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 129 EP 133 DI 10.1016/j.nima.2013.05.084 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800024 ER PT J AU Grote, DP Friedman, A Sharp, WM AF Grote, D. P. Friedman, A. Sharp, W. M. TI Simulations of ion beams for NDCX-II SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Particle accelerator; Space-charge; Plasma physics AB NDCX-II, the second neutralized drift compression experiment, is a moderate energy, high current accelerator designed to drive targets for warm dense matter and IFE-relevant energy coupling studies, and to serve as a Testbed for high current accelerator physics. As parr of the design process, studies were carried out to assess the sensitivities of the accelerator to errors, and to further optimize the design in concert with the evolving pulsed power engineering. The Warp code was used to carry out detailed simulations in both axisymmetric and full 3-D geometry. Ensembles of simulations were carried out to characterize the effects of errors, such as timing jitter and noise on the accelerator waveforms, noise on the source waveform, and solenoid and source offsets. In some cases, the ensemble studies resulted in better designs, revealing operating points with improved performance and showing possible means for further improvement. These studies also revealed a new non-paraxial effect of the final focus solenoid on the beam, which must be taken into account in designing an optimal final focusing system. (C) 2013 Published by Elsevier B.V. C1 [Grote, D. P.] LBNL MS47 112, Berkeley, CA 94720 USA. [Grote, D. P.; Friedman, A.; Sharp, W. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Grote, DP (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM dpgrote@lbl.gov NR 6 TC 3 Z9 3 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 134 EP 140 DI 10.1016/j.nima.2013.05.083 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800025 ER PT J AU Sharp, WM Friedman, A Grote, DP Cohen, RH Lund, SM Vay, JL Waldron, WL AF Sharp, W. M. Friedman, A. Grote, D. P. Cohen, R. H. Lund, S. M. Vay, J. -L. Waldron, W. L. TI Alternate operating scenarios for NDCX-II SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE NDCX-II; Induction; Accelerator; Simulation AB NDCX-II is a newly completed accelerator facility at LBNL, built to study ion heated warm dense matter, as well as aspects of ion driven targets and intense beam dynamics for inertial fusion energy. The baseline design calls for using 12 induction cells to accelerate 30-50 nC of Li+ ions to 1.2 MeV. During commissioning, though, we plan to extend the source lifetime by extracting less total charge. Over time, we expect that NDCX-II will be upgraded to substantially higher energies, necessitating the use of heavier ions to keep a suitable deposition range in targets. For operational flexibility, the option of using a helium plasma source is also being investigated. Each of these options requires development of an alternate acceleration schedule. The schedules here are worked out with a fast-running 1-D particle-in-cell code ASP. (C) 2013 Elsevier B.V. All rights reserved. C1 [Sharp, W. M.; Friedman, A.; Grote, D. P.; Cohen, R. H.; Lund, S. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Vay, J. -L.; Waldron, W. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Sharp, WM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM wmsharp@lbl.gov NR 8 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 147 EP 152 DI 10.1016/j.nima.2013.05.081 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800027 ER PT J AU Friedman, A AF Friedman, Alex TI Differential acceleration in the final beam lines of a Heavy Ion Fusion driver SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Heavy-ion fusion; Ion beam; Accelerator; Inertial fusion energy; Beam line; Pulse compression ID DESIGN; TARGET; MODEL AB A lung-standing challenge in the design of a Heavy Ion Fusion power plant is that the ion beams entering the target chamber, which number of order a hundred, all need to be routed nom one or two multi-beam accelerators through a set of transport lines. The beams are divided into groups, each of which has a unique arrival time and may have a unique kinetic energy. It is also necessary to at for each beam to enter the target chamber from a prescribed location on the periphery of that chamber. Furthermore, it has generally been assumed that additional constraints must be obeyed: that the path lengths of the beams in a group must be equal, and that any delay of "main-pulse" beams relative to "foot-pulse" beams must be provided by the insertion of large delay-arcs in the main beam transport lines. Here we introduce the notion of applying "differential acceleration" to individual beams or sets of beams at strategic stages of the transport lines. That is, by accelerating some beams "sooner" and others "later," it is possible to simplify the beam line configuration in a number of cases. For example, the time delay between the foot and main pulses can be generated without resorting to large arcs in the main-pulse beam lines. It is also possible to use differential acceleration to effect the simultaneous arrival on target of a set of beams (e.g., for the foot-pulse) without requiring that their path lengths be precisely equal. We illustrate the technique for two model configurations, one corresponding to a typical indirect-drive scenario requiring distinct foot and main energies, and the other to an ion-driven fast-ignition scenario wherein the foot and main beams share a common energy. (C) 2013 Elsevier B.V. All rights reserved. C1 [Friedman, Alex] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Friedman, A (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM af@llnl.gov NR 15 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 153 EP 157 DI 10.1016/j.nima.2013.10.027 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800028 ER PT J AU Grisham, LR Von Halle, A Carpe, AF Rossi, G Gilton, KR McBride, ED Gilson, EP Stepanov, A Stevenson, TN AF Grisham, L. R. Von Halle, A. Carpe, A. F. Rossi, Guy Gilton, K. R. McBride, E. D. Gilson, E. P. Stepanov, A. Stevenson, T. N. TI Studies of electrical breakdown processes across vacuum gaps between metallic electrodes SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Magnetic insulation; Vacuum electrical breakdown; Bacteria-induced electrical breakdown; Accelerator ID FIELD AB An experimental program to elucidate the physical causes of electrical breakdown across vacuum gaps, such as those that occur in charged particle accelerators, is discussed. Magnetic insulation is explored as a technique to differentiate between field emission of electrons and clump acceleration as possible causative mechanisms for the onset of breakdown. The results and limitations of an exploratory experiment are described, along with plans for a more comprehensive experimental and theoretical campaign. (C) 2013 Elsevier B.V. All rights reserved C1 [Grisham, L. R.; Von Halle, A.; Carpe, A. F.; Rossi, Guy; Gilton, K. R.; McBride, E. D.; Gilson, E. P.; Stepanov, A.; Stevenson, T. N.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Grisham, LR (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM lgrisham@pppl.gov NR 18 TC 2 Z9 2 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 168 EP 170 DI 10.1016/j.nima.2013.05.079 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800030 ER PT J AU Lee, EP AF Lee, Edward P. TI Beam dynamics for induction accelerators SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Fusion; Induction; Accelerators; Dynamics AB An induction linac uses pulsed power that is applied directly, without any intervening resonant cavities, to accelerate a charged particle pulse. This approach can accommodate a large multiple-beam focusing lattice capable of transporting a large total beam current with a long pulse duration, which may be compressed while accelerating as well as afterward. The mean accelerating gradient is relatively low (less than about 1.5 MV/m), but the potential efficiency of energy transfer can be large up to about 50%. A multiple-beam induction linac is therefore a natural candidate accelerator for a heavy ion fusion (HIF) driver. However, the accelerated beams must meet stringent requirements on occupied phase space volume in order to be focused accurately and with small radius onto the fusion target. Dynamical considerations in the beam injector and linac, as well as in the final compression, final focus, and the Fusion chamber, determine the quality of the driver beams as they approach the target. Requirements and tolerances derived from beam dynamics strongly influence the linac configuration and component design. After a summary of dynamical considerations, two major topics are addressed here: transportable current limits, which determine the choice of focal system for the linac, and longitudinal control of the beams, which are potentially destabilized by their interaction with the pulsed power system. (C) 2013 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Lee, EP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM eplee@lbl.gov NR 10 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 189 EP 192 DI 10.1016/j.nima.2013.05.071 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800034 ER PT J AU Seidl, PA Barnard, JJ Faltens, A Friedman, A Waldron, WL AF Seidl, Peter A. Barnard, John J. Faltens, Andris Friedman, Alex Waldron, William L. TI Multiple beam induction accelerators for heavy ion fusion SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Heavy-ion fusion; Induction accelerators; Inertial fusion ID SPACE-CHARGE AB Induction accelerators are appealing for heavy ion driven inertial fusion energy (HIF) because of their high efficiency and their demonstrated capabilily to accelerate high beam current (>= 10 kA in some applicalions). For the HIF applicalion, accomplishments and challenges are summarized. HIF research and development has demonstrated the production of single ion beams with the required emittance, current, and energy suitable for injection into an induction linear accelerator. Driver scale beams have been transported in quadrupole channels of the order of 10% of the number of quadrupoles of a driver. We review the design and operation of induction accelerators and the relevant aspects of their use as drivers for HIF. We describe intermediate research steps that would provide the basis for a heavy-ion research Facility capable of heating matter to fusion relevant temperatures and densities, and also to test and demonstrate an accelerator architecture that scales well to a fusion power plant. (C) 2013 Elsevier B.V. All rights reserved. C1 [Seidl, Peter A.; Faltens, Andris; Waldron, William L.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Barnard, John J.; Friedman, Alex] Lawrence Livermore Natl Lab, Berkeley, CA USA. RP Seidl, PA (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA USA. EM paseidl@lbl.gov NR 28 TC 1 Z9 2 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 193 EP 199 DI 10.1016/j.nima.2013.05.070 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800035 ER PT J AU Qin, H Davidson, RC Logan, BG AF Qin, Hong Davidson, Ronald C. Logan, B. Grant TI Dynamic stabilization of the ablative Rayleigh-Taylor instability for heavy ion fusion SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Dynamics stabilization; Heavy ion fusion; Wobbler ID FRONTS; BEAMS AB Dynamic stabilization of the ablative Rayleigh Taylor instability of a heavy ion fusion target induced by a beam wobbling system is studied. Using a sharp-boundary model and Courant-Synder theory, it is shown, with an appropriately chosen modulation waveform, that the instability can be stabilized in certain parameter regimes. It is found that the stabilization effect has a strong dependence on the modulation frequency and the waveform. Modulation with frequency comparable to the instability growth rate is most effective in terms of stabilizing the instability. A modulation with two frequency components can result in a reduction of the growth rate larger than the sum of that due to the two components when applied separately. (C) 2013 Elsevier B.V. All rights reserved. C1 [Qin, Hong; Davidson, Ronald C.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. [Qin, Hong] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. [Logan, B. Grant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Qin, H (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM hqin@pppl.gov NR 29 TC 1 Z9 1 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 203 EP 206 DI 10.1016/j.nima.2013.05.068 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800037 ER PT J AU More, RM AF More, Richard M. TI Particle simulation code for fusion ignition SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Molecular dynamics; Particle simulation; Inertial fusion; Ignition attractor; Neutron time-of-flight; Fast-ion fast-ignition ID PLASMA AB Inertial fusion ignition phenomena including effects of non-Maxwellian ion velocity distributions are studied by molecular dynamics particle simulation. 10,000 DT ions at a density 100 g/cm(3) and temperature similar to 10 keV are followed for 10 to 20 ps. The simulations include ion collisions, electron-ion coupling and radiation emission and absorption. Fusion reactions produce energetic alphas and the plasma self-heats to 20-30 keV. It is found that calculations starting from a variety of initial conditions evolve to approach a unique self-heating trajectory which can be called an ignition attractor. A calculation starting with 3 keV DT ignites within a few ps after 2 MeV alpha particles are injected and deposit similar to 300 MJ/g: this demonstrates that fast ions are highly effective for fast ignition of precompressed DT. (C) 2013 Published by Elsevier B.V. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, HIF VNL, Berkeley, CA 94720 USA. RP More, RM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, HIF VNL, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM rmore2262@sbcglobal.net NR 14 TC 0 Z9 0 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 207 EP 210 DI 10.1016/j.nima.2013.05.067 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800038 ER PT J AU Kawata, S Kurosaki, T Noguchi, K Suzuki, T Koseki, S Barada, D Ma, YY Ogoyski, AI Barnard, JJ Logan, BG AF Kawata, S. Kurosaki, T. Noguchi, K. Suzuki, T. Koseki, S. Barada, D. Ma, Y. Y. Ogoyski, A. I. Barnard, J. J. Logan, B. G. TI Wobblers and Rayleigh-Taylor instability mitigation in HIF target implosion SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Heavy ion fusion; Ream illumination uniformity; Rayleigh-Taylor instability mitigation; Wobbling heavy ion beam ID INERTIAL CONFINEMENT FUSION; ENERGY DEPOSITION; DENSE-PLASMA; HEAVY-IONS; DRIVEN AB A few percent wobbling-beam illumination nonuniformity is realized in heavy ion inertial confinement fusion (HIF) by a spiraling beam axis motion in the paper. The wobbling heavy ion beam (NIB) illumination was proposed to realize a uniform implosion in HIF. However, the initial imprint of the wobbling HIBs was a serious problem and introduces a large unacceptable energy deposition nonuniformity. In wobbling the HIBs illumination, the illumination nonuniformity oscillates in time and space. The oscillating-NIB energy deposition may contribute to the reduction of the HIBs' illumination nonuniformity and also the mitigation of the Rayleigh Taylor instability. The wobbling HIBs can be generated in NIB accelerators and the oscillating frequency may be from several 100 MHz to 1 GHz. Three-dimensional HIBs illumination computations presented here show that the few percent wobbling HIBs illumination nonuniformity oscillates successfully with the same wobbling HIBs frequency. (C) 2013 Elsevier B.V. All rights reserved. C1 [Kawata, S.; Kurosaki, T.; Noguchi, K.; Suzuki, T.; Koseki, S.; Barada, D.; Ma, Y. Y.] Utsunomiya Univ, Utsunomiya, Tochigi 3218585, Japan. [Ogoyski, A. I.] Varna Tech Univ, Varna 9010, Bulgaria. [Barnard, J. J.; Logan, B. G.] Lawrence Berkeley Natl Lab Heavy Ion Fus, Berkeley, CA 94720 USA. [Barnard, J. J.; Logan, B. G.] Virtual Natl Lab Heavy Ion Fus, Berkeley, CA 94720 USA. RP Kawata, S (reprint author), Utsunomiya Univ, 7-1-2 Yohtoh, Utsunomiya, Tochigi 3218585, Japan. EM kwt@cc.utsunomiya-u.ac.jp RI Ogoyski, Alexander/A-8065-2014 NR 25 TC 2 Z9 2 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 211 EP 215 DI 10.1016/j.nima.2013.05.066 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800039 ER PT J AU Bangerter, RO AF Bangerter, Roger O. TI Heavy ion fusion targets; issues for fast ignition SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Fusion energy; Heavy ion inertial fusion; Inertial fusion targets; Accelerators for fusion ID PHYSICS; DESIGN AB During the last 36 years researchers have suggested and evaluated a large number of Larger designs for heavy ion inertial fusion. The different Larger designs can be classified according to their mode of ignition, their method of implosion, and their size. Ignition modes include hot-spot ignition and fast ignition. Methods of implosion include direct drive and indirect drive. Historically there has been significant work on indirectly driven targets with hot-spot ignition. Recently there has been increasing interest in directly driven targets with ion driven fast ignition. In principle, fast ignition might lead to improved target performance. On the other hand, fast ignition imposes stringent requirements on accelerators and beam physics. Furthermore, fast ignition magnifies the importance of a number of traditional target physics issues associated with ion beam energy deposition and fuel preheat. This paper will discuss the advantages and disadvantages of the various classes of targets. It will also discuss some issues that must be resolved to assess the feasibility of ion fast ignition. (C) 2013 Elsevier B.V. All rights reserved. C1 [Bangerter, Roger O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, US HIFS VNL, Accelerator Fus Res Div, Berkeley, CA 94720 USA. RP Bangerter, RO (reprint author), POB 633, Beavercreek, OR 97004 USA. EM robangerter@lbl.gov NR 15 TC 1 Z9 1 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 216 EP 219 DI 10.1016/j.nima.2013.05.065 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800040 ER PT J AU Chung, M Chung, YS Kim, SK Lee, BJ Hoffmann, DHH AF Chung, M. Chung, Y. S. Kim, S. K. Lee, B. J. Hoffmann, D. H. H. TI Rare isotope accelerator project in Korea and its application to high energy density sciences SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Rare isotope accelerator; Heavy ion beam; High energy density science; Beam-plasma interaction ID HEAVY-ION; BEAMS AB As a national science project, the Korean government has recently established the Institute for Basic Science (IBS) with the goal of conducting world-class research in basic sciences. One of the core facilities for the IBS will be the rare isotope accelerator which can produce high-intensity rare isotope beams to investigate the fundamental properties of nature, and also to support a broad research program in material sciences, medical and biosciences, and future nuclear energy technologies. The construction of the accelerator is scheduled to be completed by approximately 2017. The design of the accelerator complex is optimized to deliver high average beam current on targets, and to maximize the production of rare isotope beams through the simultaneous use of Isotope Separation On-Line (ISOL) and In-Flight Fragmentation (IFF) methods. The proposed accelerator is, however, not optimal for high energy density science, which usually requires very high peak currents on the target. In this study, we present possible beam plasma experiments that can be done within the scope of the current accelerator design, and we also investigate possible future extension paths that may enable high energy density science with intense pulsed heavy ion beams. Published by Elsevier B.V. C1 [Chung, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Chung, M.; Lee, B. J.] Handong Global Univ, Pohang 791708, South Korea. [Chung, Y. S.; Kim, S. K.] Inst for Basic Sci Korea, Taejon 305881, South Korea. [Hoffmann, D. H. H.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. RP Chung, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM mchung@fnal.gov RI Kim, Sun Kee/G-2042-2015 OI Kim, Sun Kee/0000-0002-0013-0775 NR 21 TC 0 Z9 0 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 220 EP 225 DI 10.1016/j.nima.2013.05.064 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800041 ER PT J AU Waldron, WL Abraham, WJ Arbelaez, D Friedman, A Galvin, JE Gilson, EP Greenway, WG Grote, DP Jung, JY Kwan, JW Leitner, M Lidia, SM Lipton, TM Reginato, LL Regis, MJ Roy, PK Sharp, WM Stettler, MW Takakuwa, JH Volmering, J Vytla, VK AF Waldron, W. L. Abraham, W. J. Arbelaez, D. Friedman, A. Galvin, J. E. Gilson, E. P. Greenway, W. G. Grote, D. P. Jung, J. -Y. Kwan, J. W. Leitner, M. Lidia, S. M. Lipton, T. M. Reginato, L. L. Regis, M. J. Roy, P. K. Sharp, W. M. Stettler, M. W. Takakuwa, J. H. Volmering, J. Vytla, V. K. TI The NDCX-II engineering design SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 19th International Symposium on Heavy Ion Inertial Fusion (HIF) CY AUG 12-17, 2012 CL Berkeley, CA SP Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, US DOE, Off Fus Energy Sci, Princeton Plasma Phys Lab, Beam Dynam & Nonneutral Plasma Div, LLNL, Phys & Life Sci Directorate DE Induction accelerator; High energy density laboratory physics; Heavy ion fusion AB The Neutralized Drift Compression Experiment (NDCX-II) is a user facility located at Lawrence Berkeley National Laboratory which is uniquely designed for ion-beam-driven high energy density laboratory physics and heavy ion fusion research. Construction was completed in March 2012 and the facility is now in the commissioning phase. A significant amount of engineering was carried out in order to meet the performance parameters required for a wide range of target heating experiments while making the most cost-effective use of high-value hardware available from a decommissioned high current electron induction accelerator. The technical challenges and design of this new ion induction accelerator facility are described. (C) 2013 Elsevier B.V. All rights reserved. C1 [Waldron, W. L.; Abraham, W. J.; Arbelaez, D.; Galvin, J. E.; Greenway, W. G.; Jung, J. -Y.; Kwan, J. W.; Leitner, M.; Lidia, S. M.; Lipton, T. M.; Reginato, L. L.; Regis, M. J.; Roy, P. K.; Stettler, M. W.; Takakuwa, J. H.; Volmering, J.; Vytla, V. K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Friedman, A.; Grote, D. P.; Sharp, W. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Gilson, E. P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Waldron, WL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM WLWaldron@lbl.gov NR 24 TC 8 Z9 10 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JAN 1 PY 2014 VL 733 BP 226 EP 232 DI 10.1016/j.nima.2013.05.063 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 258XK UT WOS:000327491800042 ER PT J AU Kossoy, A AF Kossoy, Anna TI Strain relaxation and order-disorder phase transition in irradiated MgAl2O4 SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID MAGNESIUM-ALUMINATE SPINEL; RADIATION-DAMAGE; SINGLE-CRYSTAL; SATURABLE ABSORBER; ION-IRRADIATION; ER-YB; ACCUMULATION; ABSORPTION; LASER AB MgAl2O4 spinel is widely studied in many fields of material science because of its variety of interesting properties and potential applications. The influence of cation disorder on the physical properties of MgAl2O4 makes understanding of the effects related to this disorder particularly important. It is known that, upon ion irradiation at low temperature, MgAl2O4 undergoes an order-disorder phase transition followed by amorphization. This paper reports a combined high resolution X-ray diffraction and transmission electron microscopy study elucidating the linkage between this phase transition and irradiation-induced elastic strain. Irradiations were carried out on < 110 > and < 111 >-oriented single crystals of MgAl2O4 at T = 77 K with 600 keV Xe ions over a wide range of doses. The data suggests that the beginning of the order-disorder phase transition coincides with the beginning of strain relaxation. This result indicates that the volume of the new phase is slightly smaller than that of the unirradiated spinel. The dose at which the phase transformation occurs is found to be dependent on the crystal orientation, which can be attributed to both elastic and crystallographic properties. C1 [Kossoy, Anna] Los Alamos Natl Lab, Los Alamos, NM USA. RP Kossoy, A (reprint author), Univ Iceland, Inst Sci, Dunhaga 3, IS-107 Reykjavik, Iceland. EM anna.kossoy@gmail.com FU "Conseil General de l'Essonne''; FCR& D, LDRD and Basic Energy Science of the US Department of Energy Office FX The author wants to thank V. Kaganer from the Paul Drude Institute for Solid State Electronics, Germany for helpful comments and suggestions, Y. Wang and I. O. Usov from LANL for their help with RBS measurements, R. Dickerson from LANL for his help with TEM, J. Zhang and E. Fu from LANL for their help with irradiations, Y. Feldman from Weizmann Institute of Science, Israel for his help with preliminary measurements, S. Stepanov from Argonne National Laboratory, USA for his help with X-ray Server. XRD measurements on the Panalytical diffractometer have been performed at the nanocenter CTU-IEF-Minerve that is partially funded by the "Conseil General de l'Essonne''. The LANL portion of this work was sponsored by the FCR& D, LDRD and Basic Energy Science of the US Department of Energy Office. NR 33 TC 0 Z9 0 U1 1 U2 19 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 2014 VL 16 IS 1 BP 237 EP 243 DI 10.1039/c3cp53532k PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 261LW UT WOS:000327667500026 PM 24247735 ER PT J AU Vallance, C Brouard, M Lauer, A Slater, CS Halford, E Winter, B King, SJ Lee, JWL Pooley, DE Sedgwick, I Turchetta, R Nomerotski, A John, JJ Hill, L AF Vallance, Claire Brouard, Mark Lauer, Alexandra Slater, Craig S. Halford, Edward Winter, Benjamin King, Simon J. Lee, Jason W. L. Pooley, Daniel E. Sedgwick, Iain Turchetta, Renato Nomerotski, Andrei John, Jaya John Hill, Laura TI Fast sensors for time-of-flight imaging applications SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID DELAY-LINE DETECTOR; MALDI MASS-SPECTROMETRY; SPATIAL-RESOLUTION; ION MICROSCOPY; ULTRA-FAST; COINCIDENCE; SPECTROSCOPY; NEUTRON; TISSUE; PHOTODISSOCIATION AB The development of sensors capable of detecting particles and radiation with both high time and high positional resolution is key to improving our understanding in many areas of science. Example applications of such sensors range from fundamental scattering studies of chemical reaction mechanisms through to imaging mass spectrometry of surfaces, neutron scattering studies aimed at probing the structure of materials, and time-resolved fluorescence measurements to elucidate the structure and function of biomolecules. In addition to improved throughput resulting from parallelisation of data collection - imaging of multiple different fragments in velocity-map imaging studies, for example - fast image sensors also offer a number of fundamentally new capabilities in areas such as coincidence detection. In this Perspective, we review recent developments in fast image sensor technology, provide examples of their implementation in a range of different experimental contexts, and discuss potential future developments and applications. C1 [Vallance, Claire; Lauer, Alexandra; Slater, Craig S.; Halford, Edward; Winter, Benjamin; King, Simon J.; Lee, Jason W. L.] Univ Oxford, Dept Chem, Chem Res Lab, Oxford OX1 3TA, England. [Brouard, Mark] Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England. [Pooley, Daniel E.; Sedgwick, Iain; Turchetta, Renato] STFC Rutherford Appleton Lab, Harwell OX11 0QX, Oxon, England. [Nomerotski, Andrei] Brookhaven Natl Lab, Upton, NY 11973 USA. [John, Jaya John; Hill, Laura] Univ Oxford, Dept Phys, Oxford OX1 3RH, England. RP Vallance, C (reprint author), Univ Oxford, Dept Chem, Chem Res Lab, 12 Mansfield Rd, Oxford OX1 3TA, England. EM claire.vallance@chem.ox.ac.uk RI Nomerotski, Andrei/A-5169-2010; OI John, Jaya/0000-0001-6831-6501 FU ERC through Starting Independent Researcher Grant [200733]; EPSRC Programme Grant [EP/G00224X/1]; STFC via a PNPAS award and mini-IPS [ST/J002895/1]; Marie Curie Initial Training Network [238671]; DFG [LA 3209/1-1] FX We acknowledge funding from the ERC through Starting Independent Researcher Grant 200733 'ImageMS', from the EPSRC Programme Grant EP/G00224X/1, from the STFC via a PNPAS award and mini-IPS grant ST/J002895/1, from the Marie Curie Initial Training Network 238671 'ICONIC', and from the DFG through grant LA 3209/1-1. We would like to thank Henrik Stapelfeldt, Lauge Christensen, Jens Nielsen, and Benjamin Shepperson for allowing us to use the Coulomb explosion data presented in Section 3.2; Ben Whitaker, with whom we have collaborated on some of the reaction dynamics work; and E. Schooneveld, N. Rhodes and R. Farrow for their assistance with the neutron experiments described in Section 3.4. NR 62 TC 20 Z9 20 U1 4 U2 38 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 2014 VL 16 IS 2 BP 383 EP 395 DI 10.1039/c3cp53183j PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 264OM UT WOS:000327888100002 PM 24002354 ER PT J AU Wei, L Marshall, JD Link, TE Kavanagh, KL Du, EH Pangle, RE Gag, PJ Ubierna, N AF Wei, Liang Marshall, John D. Link, Timothy E. Kavanagh, Kathleen L. Du, Enhao Pangle, Robert E. Gag, Peter J. Ubierna, Nerea TI Constraining 3-PG with a new delta C-13 submodel: a test using the delta C-13 of tree rings SO PLANT CELL AND ENVIRONMENT LA English DT Article DE grand fir; litterfall; model tuning; quantum yield; radiation-use efficiency; sap flux; stable carbon isotope ratio ID CARBON-ISOTOPE COMPOSITION; ATMOSPHERIC CO2 CONCENTRATION; GROWTH DOUGLAS-FIR; LEAF-AREA INDEX; OF-THE-ART; FOREST GROWTH; PINUS-SYLVESTRIS; ORGANIC-MATTER; STOMATAL CONDUCTANCE; SENSITIVITY-ANALYSIS AB A semi-mechanistic forest growth model, 3-PG (Physiological Principles Predicting Growth), was extended to calculate C-13 in tree rings. The C-13 estimates were based on the model's existing description of carbon assimilation and canopy conductance. The model was tested in two approximate to 80-year-old natural stands of Abies grandis (grand fir) in northern Idaho. We used as many independent measurements as possible to parameterize the model. Measured parameters included quantum yield, specific leaf area, soil water content and litterfall rate. Predictions were compared with measurements of transpiration by sap flux, stem biomass, tree diameter growth, leaf area index and C-13. Sensitivity analysis showed that the model's predictions of C-13 were sensitive to key parameters controlling carbon assimilation and canopy conductance, which would have allowed it to fail had the model been parameterized or programmed incorrectly. Instead, the simulated C-13 of tree rings was no different from measurements (P>0.05). The C-13 submodel provides a convenient means of constraining parameter space and avoiding model artefacts. This C-13 test may be applied to any forest growth model that includes realistic simulations of carbon assimilation and transpiration. C1 [Wei, Liang; Marshall, John D.; Link, Timothy E.; Kavanagh, Kathleen L.] Univ Idaho, Dept Forest Rangeland & Fire Sci, Moscow, ID 83844 USA. [Marshall, John D.] Swedish Agr Univ, Dept Forest Ecol & Management, S-90183 Umea, Sweden. [Du, Enhao] Lawrence Berkeley Natl Lab, Div Earth Sci, Climate Sci Dept, Berkeley, CA 94720 USA. [Pangle, Robert E.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Gag, Peter J.] USDA Forest Serv, Pacific Southwest Res Stn, Reading, CA 96002 USA. [Ubierna, Nerea] Australian Natl Univ, Res Sch Biol, Canberra, ACT 0200, Australia. RP Wei, L (reprint author), Univ Idaho, Dept Forest Rangeland & Fire Sci, Moscow, ID 83844 USA. EM liangwei@vandals.uidaho.edu RI Wei, Liang/K-3522-2015 OI Wei, Liang/0000-0001-8967-5036 FU National Science Foundation EPSCoR - Research Infrastructure Improvement Grant [EPS - 0447689]; USDA-CSREES NRI grants [2003-35102-13675, 2006-35102-17689]; USFS [03-JV-11222065-068, 04-D6-11010000-037] FX Potlatch Corporation allowed this research to be conducted at MCEW. This work was funded in part by the National Science Foundation EPSCoR - Research Infrastructure Improvement Grant (EPS - 0447689), USDA-CSREES NRI grants (2003-35102-13675 and 2006-35102-17689) and USFS Research Joint Venture Agreements (#03-JV-11222065-068 and #04-D6-11010000-037). Special thanks to tree climber, Greg Sarff, laboratory assistant, Allen Tedrow, and laboratory managers of Idaho Stable Isotopes Lab, Margaret Ward (current) and Benjamin Miller (former). L. W. thanks John Byrne for loaning the Relaskop; Hang Zhou for programming and data analysing; and Richard Waring, Joe Landsberg, Nicholas Crookston, Aaron Weiskittel, Todd Dawson, Genxuan Wang, Terry Cundy, Nate McDowell and Jianwei Zhang for their comments on this study. J.D.M. thanks Sune Linder, Peter Hogberg and Torgny Nasholm at SLU, Umea, Sweden, for time to work on this manuscript. We warmly thank our voluntary assistants for the field work: Nan Shi, Fangxin Lin, Sisi Yan, Yanyin Xu, Jiayi Chen, Pei Liu, Hui Che, Xiao Hu, Wai Kee Liew, Jie Jiao, Ruoxi Wu, Wen Zhou, Zhongxiao Li, Chihan Wang, Shuping Li, Jia Wan, Fan Yang and Xiyang Zhao. NR 76 TC 5 Z9 5 U1 0 U2 26 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0140-7791 EI 1365-3040 J9 PLANT CELL ENVIRON JI Plant Cell Environ. PD JAN PY 2014 VL 37 IS 1 BP 82 EP 100 DI 10.1111/pce.12133 PG 19 WC Plant Sciences SC Plant Sciences GA 261AN UT WOS:000327636100008 PM 23663114 ER PT J AU Sevanto, S McDowell, NG Dickman, LT Pangle, R Pockman, WT AF Sevanto, Sanna McDowell, Nate G. Dickman, L. Turin Pangle, Robert Pockman, William T. TI How do trees die? A test of the hydraulic failure and carbon starvation hypotheses SO PLANT CELL AND ENVIRONMENT LA English DT Article DE cavitation; forest mortality; hydraulic conductance; non-structural carbohydrates; phloem; xylem ID CHANGE-TYPE DROUGHT; MORTALITY; XYLEM; PHLOEM; MECHANISMS; MODEL; TRANSPORT; EMBOLISM; INCREASE; FORESTS AB Despite decades of research on plant drought tolerance, the physiological mechanisms by which trees succumb to drought are still under debate. We report results from an experiment designed to separate and test the current leading hypotheses of tree mortality. We show that pinon pine (Pinus edulis) trees can die of both hydraulic failure and carbon starvation, and that during drought, the loss of conductivity and carbohydrate reserves can also co-occur. Hydraulic constraints on plant carbohydrate use determined survival time: turgor loss in the phloem limited access to carbohydrate reserves, but hydraulic control of respiration prolonged survival. Our data also demonstrate that hydraulic failure may be associated with loss of adequate tissue carbohydrate content required for osmoregulation, which then promotes failure to maintain hydraulic integrity. C1 [Sevanto, Sanna; McDowell, Nate G.; Dickman, L. Turin] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Pangle, Robert; Pockman, William T.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. RP Sevanto, S (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM sanna@lanl.gov RI Pockman, William/D-4086-2014; Dickman, Lee/J-2391-2015 OI Pockman, William/0000-0002-3286-0457; Dickman, Lee/0000-0003-3876-7058 FU LANL-LDRD; Office of Science (BER), US Department of Energy FX This work was supported by grants from LANL-LDRD and the Office of Science (BER), US Department of Energy. The authors have no conflicts of interest to declare. NR 41 TC 129 Z9 133 U1 21 U2 228 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0140-7791 EI 1365-3040 J9 PLANT CELL ENVIRON JI Plant Cell Environ. PD JAN PY 2014 VL 37 IS 1 BP 153 EP 161 DI 10.1111/pce.12141 PG 9 WC Plant Sciences SC Plant Sciences GA 261AN UT WOS:000327636100014 PM 23730972 ER PT J AU Folcia, CL Ortega, J Etxebarria, J Rodriguez-Conde, S Sanz-Enguita, G Geese, K Tschierske, C Ponsinet, V Barois, P Pindak, R Pan, LD Liu, ZQ McCoy, BK Huang, CC AF Folcia, C. L. Ortega, J. Etxebarria, J. Rodriguez-Conde, S. Sanz-Enguita, G. Geese, K. Tschierske, C. Ponsinet, V. Barois, P. Pindak, R. Pan, LiDong Liu, Z. Q. McCoy, B. K. Huang, C. C. TI Spontaneous and field-induced mesomorphism of a silyl-terminated bent-core liquid crystal as determined from second-harmonic generation and resonant X-ray scattering SO SOFT MATTER LA English DT Article ID POLAR ORDER; ACHIRAL MOLECULES; SUPERSTRUCTURAL CHIRALITY; SHAPED COMPOUNDS; MESOGENIC UNITS; SMECTIC PHASE; SUSCEPTIBILITY; DIFFRACTION; DENDRIMER; DESIGN AB The polarity and structure of the phases of a liquid crystal constituted by thiophene-based bent-core molecules is investigated by means of optical second-harmonic generation (SHG), and resonant and conventional X-ray diffraction. The material studied is representative of a wide family of mesogens that contain silyl groups at the ends of the chains. These bulky terminal groups have been reported to give rise to smectic phases showing ferroelectric switching. However, the analysis of the SHG signal before and after application of electric fields has allowed us to establish unambiguously that the reported ferroelectricity is not intrinsic to the material but stabilized by the cell substrates once an electric field has been applied. In addition, the results obtained from resonant X-ray diffraction indicate that virgin samples have antiferroelectric undulated synclinic smectic structures. C1 [Folcia, C. L.; Etxebarria, J.; Rodriguez-Conde, S.] Univ Basque Country, UPV EHU, Dept Condensed Matter Phys, Bilbao 48080, Spain. [Ortega, J.; Sanz-Enguita, G.] Univ Basque Country, UPV EHU, Dept Appl Phys 2, Bilbao 48080, Spain. [Geese, K.; Tschierske, C.] Univ Halle Wittenberg, Inst Chem, D-06120 Halle, Germany. [Ponsinet, V.; Barois, P.] Univ Bordeaux, CNRS, CRPP, UPR8641, F-33600 Pessac, France. [Pindak, R.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Pan, LiDong] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Liu, Z. Q.] St Cloud State Univ, Dept Chem & Phys, St Cloud, MN 56301 USA. [McCoy, B. K.] Azusa Pacific Univ, Dept Math & Phys, Azusa, CA 91702 USA. [Pan, LiDong; Huang, C. C.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. RP Folcia, CL (reprint author), Univ Basque Country, UPV EHU, Dept Condensed Matter Phys, Bilbao 48080, Spain. EM cesar.folcia@ehu.es RI Folcia, Cesar/G-4615-2015; Ortega, Josu/G-4595-2015; etxebarria, jesus/H-6553-2015 OI Folcia, Cesar/0000-0003-2607-2937; Ortega, Josu/0000-0002-6855-9156; etxebarria, jesus/0000-0002-3948-6779 FU MICINN-FEDER of Spain-UE [MAT2012-38538-C03-02]; Basque Country Government [GI/IT-449-10]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; MEC of Spain; Basque Country University; Cnano-GSO FX This research was supported by MICINN-FEDER of Spain-UE (Project MAT2012-38538-C03-02) and the Basque Country Government (Project GI/IT-449-10). The authors acknowledge the CSIC for the provision of synchrotron radiation facility at ESRF. The 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. S.R.C. and G.S.E. thank the MEC of Spain and the Basque Country University for grants. VP acknowledges financial support from Cnano-GSO for synchrotron studies. NR 42 TC 9 Z9 9 U1 5 U2 33 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 2014 VL 10 IS 1 BP 196 EP 205 DI 10.1039/c3sm51277k PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 264AJ UT WOS:000327849000022 PM 24651598 ER PT J AU Branch, B Dubey, M Anderson, AS Artyushkova, K Baldwin, JK Petsev, D Dattelbaum, AM AF Branch, Brittany Dubey, Manish Anderson, Aaron S. Artyushkova, Kateryna Baldwin, J. Kevin Petsev, Dimiter Dattelbaum, Andrew M. TI Investigating phosphonate monolayer stability on ALD oxide surfaces SO APPLIED SURFACE SCIENCE LA English DT Article DE Self-assembled monolayer; SAMs; Phosphonate stability; Phosphonate SAMs; Atomic layer deposition; Hafnium oxide ALD; Alumina ALD ID SELF-ASSEMBLED MONOLAYERS; THIN-FILM TRANSISTORS; INDIUM TIN OXIDE; OCTADECYLPHOSPHONIC ACID; SILANE MONOLAYERS; SILICON; GOLD; FUNCTIONALIZATION; DEPOSITION; ALUMINUM AB We report a series of studies aimed at investigating the stability of phosphonate self-assembled mono-layers (SAMs) made from octadecylphosphonic acid (ODPA) or a perfluorinated phosphonic acid (PFPA) on hafnium and aluminum oxide surfaces deposited by atomic layer deposition (ALD). The monolayers were deposited by a series of techniques including self-assembly from solution, tethering by aggregation and growth, and the Langmuir-Blodgett (LB) method. SAMs prepared by LB method were primarily used in our stability investigations because they were found to be the most uniform and reproducible. All films deposited on ALD oxide-coated substrates were characterized by means of water contact angle measurements, spectroscopic ellipsometry, X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). XPS data conclusively showed covalent phosphonate formation on both substrates. SAMs formed on both Al2O3 and HfO2 were stable upon exposure to water. PFPA SAMs on HfO2 were found to be the most stable SAMs studied here in either water or phosphate buffer (PBS) at room temperature. We also show that similar silane-based SAMs made from octadecyltrichlorosilane (OTS) on silicon oxide (SiO2) are less stable in PBS than phosphonate SAMs on atomic layer deposited HfO2 substrates. These data suggest that phosphonate SAMs should be considered for use in (bio)molecular sensing and actuator devices that utilize ALD and require longer-term stability under aqueous conditions. (C) 2013 Elsevier B.V. All rights reserved. C1 [Branch, Brittany; Artyushkova, Kateryna; Petsev, Dimiter] Univ New Mexico, Albuquerque, NM 87131 USA. [Dubey, Manish] Los Alamos Natl Lab, Lujan Ctr, Los Alamos, NM 87545 USA. [Anderson, Aaron S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Baldwin, J. Kevin; Dattelbaum, Andrew M.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Dattelbaum, AM (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM amdattel@lanl.gov RI Artyushkova, Kateryna/B-4709-2008 OI Artyushkova, Kateryna/0000-0002-2611-0422 FU LANL LDRD program FX The LANL LDRD program provided funding for this research. This work was also done, in part, at the Center for Integrated Nanotechnologies and the Lujan Center, which are both DOE-BES funded user facilities and the Center for Biomedical Engineering at the University of New Mexico. NR 59 TC 9 Z9 9 U1 9 U2 98 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-4332 EI 1873-5584 J9 APPL SURF SCI JI Appl. Surf. Sci. PD JAN 1 PY 2014 VL 288 BP 98 EP 108 DI 10.1016/j.apsusc.2013.09.128 PG 11 WC Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 258YA UT WOS:000327493400014 ER PT J AU Yang, JJ Goldstein, JI Scott, ERD Michael, JR Kotula, PG Grimberg, A Leya, I AF Yang, Jijin Goldstein, Joseph I. Scott, Edward R. D. Michael, Joseph R. Kotula, Paul G. Grimberg, Ansgar Leya, Ingo TI Thermal and collisional history of Tishomingo iron meteorite: More evidence for early disruption of differentiated planetesimals SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID NI PHASE-DIAGRAM; LOW-TEMPERATURES; COOLING RATES; NOBLE-GASES; METAL; TROILITE; IVB; RICH; MARTENSITE; CHONDRITES AB Tishomingo is a chemically and structurally unique iron with 32.5 wt.% Ni that contains 20% residual taenite and 80% martensite plates, which formed on cooling to between -75 and -200 degrees C, probably the lowest temperature recorded by any meteorite. Our studies using transmission (TEM) and scanning electron microscopy (SEM), X-ray microanalysis (AEM) and electron backscatter diffraction (EBSD) show that martensite plates in Tishomingo formed in a single crystal of taenite and decomposed during reheating forming 10-100 nm taenite particles with similar to 50 wt.% Ni, kamacite with similar to 4 wt.%Ni, along with martensite or taenite with 32 wt.% Ni. EBSD data and experimental constraints show that Tishomingo was reheated to 320-400 degrees C for about a year transforming some martensite to kamacite and to taenite particles and some martensite directly to taenite without composition change. Fizzy-textured intergrowths of troilite, kamacite with 2.7 wt.% Ni and 2.6 wt.% Co, and taenite with 56 wt.% Ni and 0.15 wt.% Co formed by localized shock melting. A single impact probably melted the sub-mm sulfides, formed stishovite, and reheated and decomposed the martensite plates. Tishomingo and its near-twin Willow Grove, which has 28 wt.% Ni, differ from IAB-related irons like Santa Catharina and San Cristobal that contain 25-36 wt.% Ni, as they are highly depleted in moderately volatile siderophiles and enriched in Ir and other refractory elements. Tishomingo and Willow Grove therefore resemble IVB irons but are chemically distinct. The absence of cloudy taenite in these two irons shows that they cooled through 250 degrees C abnormally fast at >0.01 degrees C/yr. Thus this grouplet, like the IVA and IVB irons, suffered an early impact that disrupted their parent body when it was still hot. Our noble gas data show that Tishomingo was excavated from its parent body about 100 to 200 Myr ago and exposed to cosmic rays as a meteoroid with a radius of similar to 50-85 cm. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Yang, Jijin; Goldstein, Joseph I.] Univ Massachusetts, Dept Mech & Ind Engn, Amherst, MA 01003 USA. [Scott, Edward R. D.] Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Michael, Joseph R.; Kotula, Paul G.] Sandia Natl Labs, Mat Characterizat Dept, Albuquerque, NM 87185 USA. [Grimberg, Ansgar; Leya, Ingo] Univ Bern, Inst Phys, CH-3012 Bern, Switzerland. [Yang, Jijin] Carl Zeiss Microscopy, Thornwood, NY 10594 USA. RP Yang, JJ (reprint author), Univ Massachusetts, Dept Mech & Ind Engn, Amherst, MA 01003 USA. EM jijin.yang@zeiss.com; jig0@ecs.u-mass.edu RI Kotula, Paul/A-7657-2011 OI Kotula, Paul/0000-0002-7521-2759 FU NASA Cosmochemistry program [NN08AG53G, NNX11AF62G, NNX09AH30G, NNX12AK68G]; Swiss National Science Foundation; United States Department of Energy (DOE) [DE- AC0494AL85000] FX Financial support from the NASA Cosmochemistry program through Grants NN08AG53G and NNX11AF62G (JIG) NNX09AH30G and NNX12AK68G (ES) is acknowledged. Authors Ingo Leya and Ansgar Grimberg thank the Swiss National Science Foundation for support. We thank Tim McCoy, Smithsonian Institution for loaning the sample of Tishomingo, Dr. Arif Mubarok, University of Massachusetts, for heat treatment experiments of Fe-Ni alloy with the Tishomingo composition, and Andy Tomkins and two anonymous reviewers for their helpful reviews. Use of the Zeiss Orion Plus Helium ion microscope at the Joint School of Nanoscience and Nanoengineering (JSNN) a joint venture of the University of North Carolina at Greensboro and North Carolina A&T State University is acknowledged. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy (DOE) under contract DE- AC0494AL85000. NR 41 TC 3 Z9 3 U1 0 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD JAN 1 PY 2014 VL 124 BP 34 EP 53 DI 10.1016/j.gca.2013.09.023 PG 20 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 257OK UT WOS:000327394100003 ER PT J AU Druhan, JL Steefel, CI Conrad, ME DePaolo, DJ AF Druhan, Jennifer L. Steefel, Carl I. Conrad, Mark E. DePaolo, Donald J. TI A large column analog experiment of stable isotope variations during reactive transport: I. A comprehensive model of sulfur cycling and delta S-34 fractionation SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID SULFATE-REDUCING BACTERIA; URANIUM-CONTAMINATED AQUIFER; MARINE-SEDIMENTS; FIELD-SCALE; MICROBIAL REDUCTION; NATURAL-POPULATIONS; BIOREMEDIATION; GROUNDWATER; SULFIDE; IRON AB This study demonstrates a mechanistic incorporation of the stable isotopes of sulfur within the CrunchFlow reactive transport code to model the range of microbially-mediated redox processes affecting kinetic isotope fractionation. Previous numerical models of microbially mediated sulfate reduction using Monod-type rate expressions have lacked rigorous coupling of individual sulfur isotopologue rates, with the result that they cannot accurately simulate sulfur isotope fractionation over a wide range of substrate concentrations using a constant fractionation factor. Here, we derive a modified version of the dual-Monod or Michaelis-Menten formulation (Maggi and Riley, 2009, 2010) that successfully captures the behavior of the S-32 and S-34 isotopes over a broad range from high sulfate and organic carbon availability to substrate limitation using a constant fractionation factor. The new model developments are used to simulate a large-scale column study designed to replicate field scale conditions of an organic carbon (acetate) amended biostimulation experiment at the Old Rifle site in western Colorado. Results demonstrate an initial period of iron reduction that transitions to sulfate reduction, in agreement with field-scale behavior observed at the Old Rifle site. At the height of sulfate reduction, effluent sulfate concentrations decreased to 0.5 mM from an influent value of 8.8 mM over the 100 cm flow path, and thus were enriched in sulfate delta S-34 from 6.3 parts per thousand to 39.5 parts per thousand. The reactive transport model accurately reproduced the measured enrichment in delta S-34 of both the reactant (sulfate) and product (sulfide) species of the reduction reaction using a single fractionation factor of 0.987 obtained independently from field-scale measurements. The model also accurately simulated the accumulation and delta S-34 signature of solid phase elemental sulfur over the duration of the experiment, providing a new tool to predict the isotopic signatures associated with reduced mineral pools. To our knowledge, this is the first rigorous treatment of sulfur isotope fractionation subject to Monod kinetics in a mechanistic reactive transport model that considers the isotopic spatial distribution of both dissolved and solid phase sulfur species during microbially-mediated sulfate reduction. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Druhan, Jennifer L.; DePaolo, Donald J.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Steefel, Carl I.; Conrad, Mark E.; DePaolo, Donald J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Druhan, JL (reprint author), Stanford Univ, 450 Serra Mall,Braun Hall,Bldg 320, Stanford, CA 94305 USA. EM jdruhan@stanford.edu RI Steefel, Carl/B-7758-2010; Druhan, Jennifer/G-2584-2011; Conrad, Mark/G-2767-2010 FU Sustainable Systems Scientific Focus Area at the Lawrence Berkeley National Laboratory; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Subsurface Biogeochemical Research program [DE-AC02-05CH11231]; U.S. Department of Energy, Office of Science, Subsurface Biogeochemical Research program through the Integrated Field Research Challenge (IFRC) at Rifle, Colorado FX Design, fabrication and execution of the large column experiment was greatly aided by the advice and assistance of Joern Larsen, Yuxin Wu, Li Yang, April Van Hise, Shaun Brown, Peter Nico and Jonathan Ajo-Franklin. The authors wish to thank the AE Jack Middelburg, Pierre Regnier, Benjamin Brunner and one anonymous reviewer for their constructive comments. This research was supported as part of the Sustainable Systems Scientific Focus Area at the Lawrence Berkeley National Laboratory funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Subsurface Biogeochemical Research program under award number DE-AC02-05CH11231 and by the U.S. Department of Energy, Office of Science, Subsurface Biogeochemical Research program through the Integrated Field Research Challenge (IFRC) at Rifle, Colorado. NR 78 TC 17 Z9 17 U1 4 U2 62 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD JAN 1 PY 2014 VL 124 BP 366 EP 393 DI 10.1016/j.gca.2013.08.037 PG 28 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 257OK UT WOS:000327394100020 ER PT J AU Druhan, JL Bill, M Lim, H Wu, C Conrad, ME Williams, KH DePaolo, DJ Brodie, EL AF Druhan, Jennifer L. Bill, Markus Lim, HsiaoChien Wu, Cindy Conrad, Mark E. Williams, Kenneth H. DePaolo, Donald J. Brodie, Eoin L. TI A large column analog experiment of stable isotope variations during reactive transport: II. Carbon mass balance, microbial community structure and predation SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID URANIUM-CONTAMINATED GROUNDWATER; IN-SITU BIOREMEDIATION; DISSIMILATORY METAL REDUCTION; WASTE-WATER TREATMENT; ORGANIC-CARBON; MOLECULAR ANALYSIS; SULFATE REDUCTION; METABOLIC MODEL; CRYPTIC GROWTH; EUPLOTES SP. AB Here we report a combined analysis of carbon mass balance based on isotopic labeling and microbiological characterization during organic carbon stimulated bioreduction of a subsurface sediment in a large laboratory column experimental system. This combination of approaches allows quantification of both the cycling of carbon through multiple redox pathways and the associated spatial and temporal evolution of bacterial communities in response to this nutrient source. Carbon isotope mass balance facilitated by the use of C-13-labeled acetate as the electron donor showed evidence for a net loss of sediment organic carbon over the course of the amendment experiment. Furthermore, these data clearly demonstrated a source of isotopically labeled inorganic carbon that was not attributable to primary metabolism by acetate-oxidizing microorganisms. Fluid samples collected weekly over the duration of the 43-day amendment at <20 cm intervals along the flow path were analyzed for microbial composition by pyrosequencing of ribosomal RNA genes. The microbial community composition was transient, with distinct occurrences of Azoarcus, Geobacter and multiple sulfate reducing species over the course of the experiment. In combination with DNA sequencing data, the anomalous carbon cycling process is shown to occur exclusively during the period of predominant Geobacter species growth. Pyrosequencing indicated, and targeted cloning and sequencing confirmed the presence of several bacteriovorous protozoa, including species of the Breviata, Planococcus and Euplotes genera. Cloning and qPCR analysis demonstrated that Euplotes species were most abundant and displayed a growth trajectory that closely followed that of the Geobacter population. These results suggest a previously undocumented secondary turnover of biomass carbon related to protozoan grazing that was not sufficiently prevalent to be observed in bulk concentrations of carbon species in the system, but was clearly identified in the partitioning of carbon isotopes. This study demonstrates evidence for predator-prey relationships that impact subsurface microbial community dynamics and provides a novel indication of the impact of this relationship on the flux of carbon through a system via the microbial biomass pool. Overall, our approach provides high temporal and spatial sampling resolution at field relevant flow rates, while minimizing effects of mixing and transverse dispersion. The result is a quantitative carbon budget accounting for a diversity of processes that should be considered for inclusion in reactive transport models that aim to predict carbon turnover, nutrient flux, and redox reactions in natural and stimulated subsurface systems. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Druhan, Jennifer L.; DePaolo, Donald J.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Bill, Markus; Lim, HsiaoChien; Wu, Cindy; Conrad, Mark E.; Williams, Kenneth H.; DePaolo, Donald J.; Brodie, Eoin L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Brodie, Eoin L.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. RP Druhan, JL (reprint author), Stanford Univ, 450 Serra Mall,Braun Hall,Bldg 320, Stanford, CA 94305 USA. EM jdruhan@stanford.edu RI Williams, Kenneth/O-5181-2014; Druhan, Jennifer/G-2584-2011; Conrad, Mark/G-2767-2010; Brodie, Eoin/A-7853-2008; Bill, Markus/D-8478-2013 OI Williams, Kenneth/0000-0002-3568-1155; Brodie, Eoin/0000-0002-8453-8435; Bill, Markus/0000-0001-7002-2174 FU Sustainable Systems Scientific Focus Area at the Lawrence Berkeley National Laboratory; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Subsurface Biogeochemical Research program [DE-AC02-05CH11231]; U.S. Department of Energy, Office of Science, Subsurface Biogeochemical Research program through the Integrated Field Research Challenge (IFRC) at Rifle, Colorado FX Design, fabrication and execution of the large column experiment was greatly aided by the advice and assistance of Joern Larsen, Yuxin Wu, Li Yang, April Van Hise, Shaun Brown, Peter Nico and Jonathan Ajo-Franklin. The authors wish to thank the AE Jack Middelburg and three anonymous reviewers for their constructive comments. This research was supported as part of the Sustainable Systems Scientific Focus Area at the Lawrence Berkeley National Laboratory funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Subsurface Biogeochemical Research program under award number DE-AC02-05CH11231 and by the U.S. Department of Energy, Office of Science, Subsurface Biogeochemical Research program through the Integrated Field Research Challenge (IFRC) at Rifle, Colorado. NR 79 TC 3 Z9 3 U1 2 U2 52 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD JAN 1 PY 2014 VL 124 BP 394 EP 409 DI 10.1016/j.gca.2013.08.036 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 257OK UT WOS:000327394100021 ER PT J AU Scheinker, A Krstic, M AF Scheinker, Alexander Krstic, Miroslav TI Non-C-2 Lie Bracket Averaging for Nonsmooth Extremum Seekers SO JOURNAL OF DYNAMIC SYSTEMS MEASUREMENT AND CONTROL-TRANSACTIONS OF THE ASME LA English DT Article ID SEEKING CONTROL; SYSTEMS; STABILITY; FLOW; OPTIMIZATION AB A drawback of extremum seeking-based control is the introduction of a high frequency oscillation into a system's dynamics, which prevents even stable systems from settling at their equilibrium points. In this paper, we develop extremum seeking-based controllers whose control efforts, unlike that of traditional extremum seeking-based schemes, vanish as the system approaches equilibrium. Because the controllers that we develop are not differentiable at the origin, in proving a form of stability of our control scheme we start with a more general problem and extend the semiglobal practical stability result of Moreau and Aeyels to develop a relationship between systems and their averages even for systems which are nondifferentiable at a point. More specifically, in order to apply the practical stability results to our control scheme, we extend the Lie bracket averaging result of Kurzweil, Jarnik, Sussmann, Liu, Gurvits, and Li to non-C-2 functions. We then improve on our previous results on model-independent semiglobal exponential practical stabilization for linear time-varying single-input systems under the assumption that the time-varying input vector, which is otherwise unknown, satisfies a persistency of excitation condition over a sufficiently short window. C1 [Scheinker, Alexander] Los Alamos Natl Lab, Particle Accelerator RF Control Grp, Los Alamos, NM 87545 USA. [Krstic, Miroslav] Univ Calif San Diego, La Jolla, CA 92093 USA. RP Scheinker, A (reprint author), Los Alamos Natl Lab, Particle Accelerator RF Control Grp, POB 1663, Los Alamos, NM 87545 USA. EM alexscheinker@gmail.com; krstic@ucsd.edu NR 40 TC 1 Z9 1 U1 1 U2 3 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-0434 EI 1528-9028 J9 J DYN SYST-T ASME JI J. Dyn. Syst. Meas. Control-Trans. ASME PD JAN PY 2014 VL 136 IS 1 AR 011010 DI 10.1115/1.4025457 PG 10 WC Automation & Control Systems; Instruments & Instrumentation SC Automation & Control Systems; Instruments & Instrumentation GA 258ZP UT WOS:000327497500010 ER PT J AU Cheng, L Park, JS Hou, HM Zorba, V Chen, GY Richardson, T Cabana, J Russo, R Doeff, M AF Cheng, Lei Park, Joong Sun Hou, Huaming Zorba, Vassilia Chen, Guoying Richardson, Thomas Cabana, Jordi Russo, Richard Doeff, Marca TI Effect of microstructure and surface impurity segregation on the electrical and electrochemical properties of dense Al-substituted Li7La3Zr2O12 SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID IONIC-CONDUCTIVITY; CUBIC LI7LA3ZR2O12; SOLID-ELECTROLYTE; LITHIUM; BATTERY; TEMPERATURE; CONDUCTORS; ALUMINUM AB Al-substituted Li7La3Zr2O12 (LLZO) pellets with a grain size of 100-200 mu m and a relative density of 94% were prepared by conventional solid-state processing at a sintering temperature of 1100 degrees C, 130 degrees C lower than previously reported. Morphological features and the presence of impurities were evaluated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). Femtosecond Laser Induced Breakdown Spectroscopy (LIBS) was used to visualize the distribution of impurities. The results suggest that chemical composition of the powder cover strongly affects morphology and impurity formation, and that particle size control is critical to densification. These properties, in turn, strongly affect total ionic conductivity and interfacial resistance of the sintered pellets. C1 [Cheng, Lei; Park, Joong Sun; Hou, Huaming; Zorba, Vassilia; Chen, Guoying; Richardson, Thomas; Cabana, Jordi; Russo, Richard; Doeff, Marca] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Cheng, Lei] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Hou, Huaming] Ocean Univ China, Opt & Optoelect Lab, Qingdao 266100, Peoples R China. [Cabana, Jordi] Univ Illinois, Dept Chem, Chicago, IL 60607 USA. RP Doeff, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM mmdoeff@lbl.gov RI Cabana, Jordi/G-6548-2012; Cheng, Lei/C-5143-2014; Cheng, Lei/F-9170-2014; Zorba, Vassilia/C-4589-2015 OI Cabana, Jordi/0000-0002-2353-5986; Cheng, Lei/0000-0001-5498-9246; Cheng, Lei/0000-0001-5498-9246; FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies; Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy, Small Business Innovation Research Programs Office through Applied Spectra, Inc. FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies and the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. The work of VZ was supported by the U.S. Department of Energy, Small Business Innovation Research Programs Office through Applied Spectra, Inc. This document was prepared as an account of work sponsored by the United States Government. While this document is believed to contain correct information, neither the United States Government nor any agency thereof, nor the Regents of the University of California, nor any of their employees, makes any warranty, express or implied, or assumes any legal 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 its 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, or the Regents of the University of California. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof or the Regents of the University of California. NR 25 TC 33 Z9 33 U1 15 U2 118 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 2014 VL 2 IS 1 BP 172 EP 181 DI 10.1039/c3ta13999a PG 10 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA 260TZ UT WOS:000327618600021 ER PT J AU Wang, SM Zhang, JZ He, DW Zhang, Y Wang, LP Xu, HW Wen, XD Ge, H Zhao, YS AF Wang, Shanmin Zhang, Jianzhong He, Duanwei Zhang, Yi Wang, Liping Xu, Hongwu Wen, Xiaodong Ge, Hui Zhao, Yusheng TI Sulfur-catalyzed phase transition in MoS2 under high pressure and temperature SO JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS LA English DT Article DE High pressure; Phase transition ID MOLYBDENUM-DISULFIDE; POLYMORPHISM; TRANSISTORS; DISELENIDE; POLYTYPISM; BEHAVIOR; TUNGSTEN AB We report phase transition and stability of MoS2 with and without the presence of sulfur melt under high-pressure and high-temperature conditions. Rhombohedral (3R) phase is found to be a high-temperature phase of MoS2 at high pressures. Excess sulfur melt catalyzes the hexagonal (2H) to rhombohedral (3R) phase transformation and lowers the conversion temperature by more than 280 K. Boundary between 2H and 3R phases has been delineated with a negative slope. Based on experimental observations, sulfur-catalyzed 2H -> 3R transformation mechanisms are proposed involving atomic exchange between MoS2 and sulfur, which is different from the case of without excess sulfur that proceeds through rotation and translation of the S-Mo-S sandwich layers. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Wang, Shanmin; Zhang, Yi; Wang, Liping; Zhao, Yusheng] Univ Nevada, HiPSEC, Las Vegas, NV 89154 USA. [Wang, Shanmin; Zhang, Yi; Wang, Liping; Zhao, Yusheng] Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. [Wang, Shanmin; He, Duanwei] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China. [Wang, Shanmin; Zhang, Jianzhong; Xu, Hongwu; Wen, Xiaodong; Zhao, Yusheng] Los Alamos Natl Lab, LANSCE Div, Los Alamos, NM 87545 USA. [Wang, Shanmin; Zhang, Jianzhong; Xu, Hongwu; Wen, Xiaodong; Zhao, Yusheng] Los Alamos Natl Lab, EES Div, Los Alamos, NM 87545 USA. [Wang, Shanmin; Zhang, Jianzhong; Xu, Hongwu; Wen, Xiaodong; Zhao, Yusheng] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Ge, Hui] Chinese Acad Sci, Inst Coal Chem, Taiyuan 030001, Shanxi, Peoples R China. RP He, DW (reprint author), Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China. EM shanminwang@gmail.com; DuanweiHe@scu.edu.cn; Yusheng.Zhao@UNLV.EDU OI Xu, Hongwu/0000-0002-0793-6923; Zhang, Jianzhong/0000-0001-5508-1782 FU Los Alamos National Laboratory; DOE [DE-AC52-06NA25396]; China 973 Program [2011CB808205]; National Natural Science Foundation of China [11027405]; UNLV High Pressure Science and Engineering Center (HiPSEC), which is a DOE NNSA Center of Excellence; UNLV; [DE-FC52-06NA27684] FX This research is partially supported by Los Alamos National Laboratory, which is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396, the China 973 Program (Grant no. 2011CB808205 to D. He), and the National Natural Science Foundation of China (Grant no. 11027405 to D. He). We thank support from UNLV High Pressure Science and Engineering Center (HiPSEC), which is a DOE NNSA Center of Excellence operated under Cooperative Agreement DE-FC52-06NA27684, and UNLV start-up funding to Y. Zhao. NR 35 TC 3 Z9 3 U1 9 U2 107 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-3697 EI 1879-2553 J9 J PHYS CHEM SOLIDS JI J. Phys. Chem. Solids PD JAN PY 2014 VL 75 IS 1 BP 100 EP 104 DI 10.1016/j.jpcs.2013.09.001 PG 5 WC Chemistry, Multidisciplinary; Physics, Condensed Matter SC Chemistry; Physics GA 253TF UT WOS:000327111500016 ER PT J AU Perry, KA More, KL Payzant, EA Meisner, RA Sumpter, BG Benicewicz, BC AF Perry, Kelly A. More, Karren L. Payzant, E. Andrew Meisner, Roberta A. Sumpter, Bobby G. Benicewicz, Brian C. TI A Comparative Study of Phosphoric Acid-Doped m-PBI Membranes SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS LA English DT Article DE conducting polymers; fuel cells; high temperature; ionomers; membranes; phosphoric acid-doped polybenzimidazole; proton exchange membrane; WAXS ID FUEL-CELL; POLYMER ELECTROLYTE; POLYBENZIMIDAZOLE; SOLVENT; FIBER; FILMS AB Phosphoric acid (PA)-doped m-polybenzimidazole (PBI) membranes used in high temperature fuel cells and hydrogen pumps were prepared by a conventional imbibing process and a sol-gel fabrication process. A comparative study was conducted to investigate the critical properties of PA doping levels, ionic conductivities, mechanical properties, and molecular ordering. This systematic study found that sol-gel PA-doped m-PBI membranes were able to absorb higher acid doping levels and to achieve higher ionic conductivities than conventionally imbibed membranes when treated in an equivalent manner. Even at similar acid loadings, the sol-gel membranes exhibited higher ionic conductivities. Heat treatment of conventionally imbibed membranes with 29 wt % solids caused a significant reduction in mechanical properties; conversely, sol-gel membranes exhibited an enhancement in mechanical properties. From X-ray structural studies and atomistic simulations, both conventionally imbibed and sol-gel membranes exhibited d-spacings of 3.5 and 4.6 angstrom, which were tentatively attributed to parallel ring stacking and staggered side-to-side packing, respectively, of the imidazole rings in these aromatic heterocyclic polymers. An anisotropic staggered side-to-side chain packing present in the conventional membranes may be related to the reduction in mechanical properties. (c) 2013 Wiley Periodicals, Inc. J. Polym. Sci., Polym. Phys. 2014, 52, 26-35 C1 [Perry, Kelly A.; More, Karren L.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Payzant, E. Andrew] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN USA. [Meisner, Roberta A.] Univ Tennessee, Knoxville, TN USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA. [Benicewicz, Brian C.] Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. [Benicewicz, Brian C.] Univ S Carolina, USC NanoCtr, Columbia, SC 29208 USA. RP Perry, KA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley RD, Oak Ridge, TN 37831 USA. EM perryka@ornl.gov RI Payzant, Edward/B-5449-2009; Sumpter, Bobby/C-9459-2013; More, Karren/A-8097-2016; OI Payzant, Edward/0000-0002-3447-2060; Sumpter, Bobby/0000-0001-6341-0355; More, Karren/0000-0001-5223-9097; Benicewicz, Brian/0000-0003-4130-1232 FU ORNL's Shared Research Equipment (ShaRE) User Facility; Center for Nanophase Materials Science; Office of Basic Energy Sciences, U.S. Department of Energy; DOE's Office of Fuel Cell Technologies; NSF IGERT Fellowship Program; HERE Program at ORNL FX This research was supported by ORNL's Shared Research Equipment (ShaRE) User Facility and Center for Nanophase Materials Science, which is sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy. A portion of this work also was supported by DOE's Office of Fuel Cell Technologies, the NSF IGERT Fellowship Program, and the HERE Program at ORNL. Larry Walker and Shawn Reeves at ORNL are also acknowledged for their invaluable assistance. NR 33 TC 14 Z9 14 U1 5 U2 56 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-6266 EI 1099-0488 J9 J POLYM SCI POL PHYS JI J. Polym. Sci. Pt. B-Polym. Phys. PD JAN 1 PY 2014 VL 52 IS 1 BP 26 EP 35 DI 10.1002/polb.23403 PG 10 WC Polymer Science SC Polymer Science GA 256LL UT WOS:000327311600003 ER PT J AU Chao, J Capdevila, C Serrano, M Garcia-Junceda, A Jimenez, JA Miller, MK AF Chao, J. Capdevila, C. Serrano, M. Garcia-Junceda, A. Jimenez, J. A. Miller, M. K. TI Effect of alpha-alpha ' phase separation on notch impact behavior of oxide dispersion strengthened (ODS) Fe20Cr5Al alloy SO MATERIALS & DESIGN LA English DT Article DE Toughness; Phase separation; Mechanical alloying; Tomography; Oxide dispersion strengthened ferritic alloys ID MECHANICAL-PROPERTIES; SPINODAL DECOMPOSITION; STRAIN HETEROGENEITY; FERRITIC STEEL; ATOMIC-LEVEL; CR ALLOYS; PRECIPITATION; EMBRITTLEMENT; KINETICS; TEMPERATURES AB The effects of Fe-rich (alpha) and Cr-enriched (alpha') phase separation, occurring during aging at 475 degrees C on the microstructure and mechanical properties of Fe-20Cr-6Al ODS alloy (PM2000 (TM)) hot-rolled tube, were investigated by means of atom probe tomography, microhardness, tensile and V-notched Charpy impact tests. Disregarding of the aging treatment, this material presents splitting of crack-divider type in longitudinal-transverse (LT) specimens, whereas crack-arrester type is observed in longitudinal-short transverse (LS) specimens, which induces significant differences in ductile-to-brittle transition temperature (DBTT) and upper shelf energy (USE). Additionally, a significant increase in DBTT and decrease in USE were recorded during aging at 475 degrees C as a function of aging time. The main cause of embrittlement is the alpha-alpha' phase separation with an apparent activation energy measured in the range of 214-240 kJ/mol, which is consistent with the activation energy for Cr diffusion in this type of alloy. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Chao, J.; Capdevila, C.; Jimenez, J. A.] Ctr Nacl Invest Metalurg CENIM CSIC, Dept Met Phys, Madrid 28040, Spain. [Serrano, M.; Garcia-Junceda, A.] Ctr Invest Medioambient & Tecnol CIEMAT, Div Mat Estruct, Madrid 28040, Spain. [Miller, M. K.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Capdevila, C (reprint author), Ctr Nacl Invest Metalurg CENIM CSIC, Dept Met Phys, Avda Gregorio del Amo 8, Madrid 28040, Spain. EM ccm@cenim.csic.es RI Capdevila, Carlos/B-6970-2015; Jimenez, Jose/H-2644-2015; Garcia-Junceda, Andrea/G-3127-2016 OI Capdevila, Carlos/0000-0002-1869-4085; Jimenez, Jose/0000-0003-4272-6873; Garcia-Junceda, Andrea/0000-0003-4100-8730 FU Spanish Ministerio de Economia e Innovacion [ENE2009-13766-C04-01]; ORNL's Shared Research Equipment (ShaRE) User Facility; Office of Basic Energy Sciences, US Department of Energy FX PM 2000 (TM) is a trademark of Plansee GmbH. LEAP (R) is a registered trademark of Cameca Instruments. The authors acknowledge the financial support of the Spanish Ministerio de Economia e Innovacion in the form of a Coordinate Project in the Energy Area of Plan Nacional 2009 (ENE2009-13766-C04-01). This research was supported by ORNL's Shared Research Equipment (ShaRE) User Facility, which is sponsored by the Office of Basic Energy Sciences, US Department of Energy. NR 38 TC 6 Z9 6 U1 3 U2 25 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0261-3069 EI 1873-4197 J9 MATER DESIGN JI Mater. Des. PD JAN PY 2014 VL 53 BP 1037 EP 1046 DI 10.1016/j.matdes.2013.08.007 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA 249UX UT WOS:000326805500126 ER PT S AU Mashiko, H Bell, MJ Beck, AR Neumark, DM Leone, SR AF Mashiko, Hiroki Bell, M. Justine Beck, Annelise R. Neumark, Daniel M. Leone, Stephen R. BE Yamanouchi, K Paulus, GG Mathur, D TI Frequency Tunable Attosecond Apparatus SO PROGRESS IN ULTRAFAST INTENSE LASER SCIENCE, VOL X SE Springer Series in Chemical Physics LA English DT Article; Book Chapter ID REAL-TIME OBSERVATION; HIGH-ORDER HARMONICS; EXTREME-ULTRAVIOLET; PULSE GENERATION; SPECTROSCOPY; IONIZATION; MODULATION; DYNAMICS; FIELDS; LASER AB The development of attosecond technology is one of the most significant recent achievements in the field of ultrafast optics; it opens up new frontiers in atomic and molecular spectroscopy and dynamics. A unique attosecond pump-probe apparatus using a compact Mach-Zehnder interferometer is developed. The interferometer system is compact (similar to 290 cm(2)) and completely located outside of the vacuum chamber. The location reduces the mechanical vibration from vacuum components such as turbopumps and roughing pumps. The stability of the interferometer is similar to 50 as RMS over 24 hours, stabilized with an active feedback loop. The pump and probe fields can be easily altered to incorporate multiple colors. In the interferometer, double optical gating optics are arranged to generate isolated attosecond pulses with a supercontinuum spectrum. The frequencies of the attosecond pulses can be selected to be in the extreme ultraviolet (XUV) region (25-55 eV, 140 as) or the vacuum ultraviolet (VUV) region (15-24 eV, similar to 400 as) by metal filters. Furthermore, the near infrared probe field (1.65 eV) can be upconverted to the ultraviolet (3.1 eV). The frequency tunability in the XUV and VUV is critical for selecting excited states of target atoms and molecules. C1 [Mashiko, Hiroki; Bell, M. Justine; Beck, Annelise R.; Neumark, Daniel M.; Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. [Bell, M. Justine; Beck, Annelise R.; Neumark, Daniel M.; Leone, Stephen R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Leone, Stephen R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Mashiko, Hiroki] NTT Basic Res Lab, Opt Sci Lab, Mat Quantum Opt Phys Res Grp, Atsugi, Kanagawa 2430198, Japan. RP Mashiko, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. EM mashiko.hiroki@lab.ntt.co.jp RI Neumark, Daniel/B-9551-2009 OI Neumark, Daniel/0000-0002-3762-9473 NR 57 TC 1 Z9 1 U1 0 U2 10 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0172-6218 BN 978-3-319-00521-8; 978-3-319-00520-1 J9 SPRINGER SER CHEM PH PY 2014 VL 106 BP 49 EP 63 DI 10.1007/978-3-319-00521-8_4 D2 10.1007/978-3-319-00521-8 PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA BIB83 UT WOS:000327316100005 ER PT B AU Xu, ZH Hine, CR Maye, MM Meng, QP Cotlet, M AF Xu, Zhihua Hine, Corey R. Maye, Mathew M. Meng, Qinpeng Cotlet, Mircea BE Wu, J Wang, ZM TI Control of Photoinduced Charge Transfer in Semiconducting Quantum Dot-Based Hybrids SO QUANTUM DOT SOLAR CELLS SE Lecture Notes in Nanoscale Science and Technology LA English DT Article; Book Chapter ID ELECTRON-TRANSFER DYNAMICS; ORGANIC-INORGANIC NANOCOMPOSITES; CDSE/CDS CORE/SHELL NANOCRYSTALS; LIGHT-EMITTING-DIODES; POWER-LAW BEHAVIOR; ENERGY-TRANSFER; HIGHLY LUMINESCENT; CONJUGATED POLYMERS; GOLD NANOPARTICLES; TIO2 NANOPARTICLES AB Self-assembly of water-soluble colloidal core/shell CdSe/ZnS quantum dots with varying ZnS shell thickness with a conjugated polyelectrolyte results in a series of inorganic/organic hybrids with tunable charge transfer properties and with the shell acting as a tunneling barrier towards photoinduced hole transfer from quantum dot to polymer. The rate for hole transfer decreases exponentially with the increase of quantum dot shell thickness and the hole transfer process is assessed to be a dynamic quenching process. An increase in hole transfer rate is observed from solution to thin-film phase and is related to an improved interfacial morphology in quantum dot/polymer affecting the hole transfer rate, namely the donor-acceptor distance. Single particle spectroscopy experiments reveal fluctuating dynamics of hole transfer at the conjugated polymer/quantum dot interface, increased heterogeneity in the hole transfer rate with the increase of quantum dot's shell thickness. C1 [Xu, Zhihua; Meng, Qinpeng; Cotlet, Mircea] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Hine, Corey R.; Maye, Mathew M.] Syracuse Univ, Dept Chem, Ctr Sci & Technol 1 014, Syracuse, NY 13244 USA. RP Cotlet, M (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, 735 Brookhaven Ave, Upton, NY 11973 USA. EM cotlet@bnl.gov NR 64 TC 0 Z9 0 U1 1 U2 5 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-1-4614-8148-5; 978-1-4614-8147-8 J9 LECT NOTES NANOSCALE PY 2014 VL 15 BP 91 EP 111 DI 10.1007/978-1-4614-8148-5_4 D2 10.1007/978-1-4614-8148-5 PG 21 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BIB15 UT WOS:000327198100005 ER PT J AU Liu, HH Valocchi, AJ Zhang, YH Kang, QJ AF Liu, Haihu Valocchi, Albert J. Zhang, Yonghao Kang, Qinjun TI Lattice Boltzmann phase-field modeling of thermocapillary flows in a confined microchannel SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Phase-field model; Lattice Boltzmann method; Thermocapillary flow; Microfluidics; Surface wettability; Droplet dynamics ID FRONT-TRACKING METHOD; CONTACT LINE MOTION; LIQUID-GAS; PROTEIN CRYSTALLIZATION; DROPLET MICROFLUIDICS; SURFACE-TENSION; 2-PHASE FLOWS; DENSITY RATIO; FLUID-FLOWS; SIMULATION AB To understand how thermocapillary forces manipulate the droplet motion in a confined microchannel, a lattice Boltzmann phase-field model is developed to simulate immiscible thermocapillary flows with consideration of fluid-surface interactions. Based on our recent work of Liu et al., 2013 [54], an interfacial force of potential form is proposed to model the interfacial tension force and the Marangoni stress. As only the first-order derivatives are involved, the proposed interfacial force is easily combined with the wetting boundary condition to account for fluid-surface interactions. The hydrodynamic equations are solved using a multiple-relaxation-time algorithm with the interfacial force treated as a forcing term, while an additional convection-diffusion equation is solved by a passive-scalar approach to obtain the temperature field, which is coupled to the interfacial tension by an equation of state. The model is first validated against analytical solutions for the thermocapillary-driven convection in two superimposed fluids at negligibly small Reynolds and Marangoni numbers. It is then demonstrated to produce the correct equilibrium contact angle for a binary fluid with different viscosities when a constant interfacial tension is taken into account. Finally, we numerically simulate the thermocapillary flows for a microfluidic droplet adhering on a solid wall and subject to a simple shear flow when a laser is applied to locally heat the fluids, and investigate the influence of contact angle and fluid viscosity ratio on the droplet dynamical behavior. The droplet motion can be completely blocked provided that the contact angle exceeds a threshold value, below which the droplet motion successively undergoes four stages: constant velocity, deceleration, acceleration, and approximately constant velocity. When the droplet motion is completely blocked, three steady vortices are clearly visible, and the droplet is fully filled by two counter-rotating vortices with the smaller one close to the external vortex. The thermocapillary convection is strengthened with decreasing viscosity ratio of the droplet to the carrier fluid. For low viscosity ratios, the droplet motion is completely blocked and exhibits the similar behavior, but the structure of the internal vortices is more complicated at the lowest viscosity ratio. For high viscosity ratios, the droplet motion is partially blocked and undergoes a series of complex transitions, which can be explained as a result of the dynamically varying Marangoni forces. (C) 2013 Elsevier Inc. All rights reserved. C1 [Liu, Haihu; Valocchi, Albert J.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. [Zhang, Yonghao] Univ Strathclyde, Dept Mech & Aerosp Engn, Glasgow G1 1XJ, Lanark, Scotland. [Kang, Qinjun] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. RP Liu, HH (reprint author), Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. EM haihuliu@illinois.edu RI Zhang, Yonghao/F-3408-2010; Liu, Haihu/B-2097-2013; Kang, Qinjun/A-2585-2010 OI Zhang, Yonghao/0000-0002-0683-7050; Liu, Haihu/0000-0002-0295-1251; Kang, Qinjun/0000-0002-4754-2240 FU LDRD Program of the Los Alamos National laboratory [20100025DR] FX This paper is based upon work supported by the LDRD Program (No. 20100025DR) of the Los Alamos National laboratory. NR 94 TC 18 Z9 20 U1 5 U2 98 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD JAN 1 PY 2014 VL 256 BP 334 EP 356 DI 10.1016/j.jcp.2013.08.054 PG 23 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 247DZ UT WOS:000326596600019 ER PT S AU Estavillo, GM Verhertbruggen, Y Scheller, HV Pogson, BJ Heazlewood, JL Ito, J AF Estavillo, Gonzalo M. Verhertbruggen, Yves Scheller, Henrik V. Pogson, Barry J. Heazlewood, Joshua L. Ito, Jun BE JorrinNovo, JV Komatsu, S Weckwerth, W Wienkoop, S TI Isolation of the Plant Cytosolic Fraction for Proteomic Analysis SO PLANT PROTEOMICS: METHODS AND PROTOCOLS, 2ND EDITION SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Cytosol; Isolation; Seedling; Cell culture; Arabidopsis; Proteomics ID TRANSIENT GENE-EXPRESSION; MESOPHYLL PROTOPLASTS; ARABIDOPSIS CHLOROPLASTS; SIGNALING PATHWAYS; CELL-CULTURE; MITOCHONDRIA; PROTEINS; IMPORT; SYSTEM; LEAVES AB The cytosol is the fluid portion of the cell that is not partitioned by membranes. It contains a highly diverse collection of substances and is central to many essential cellular processes ranging from signal transduction, metabolite production and transport, protein biosynthesis and degradation to stress response and defense. Despite its importance, only a few proteomic studies have been performed on the plant cytosol. This is largely due to difficulties in isolating relatively pure samples from plant material free of disrupted organelle material. In this chapter we outline methods for isolating the cytosolic fraction from Arabidopsis cell cultures and seedlings and provide guidance on assessing purity for analysis by mass spectrometry. C1 [Estavillo, Gonzalo M.] Australian Natl Univ, Sch Biol, ARC Ctr Excellence Plant Energy Biol & Res, Canberra, ACT, Australia. [Verhertbruggen, Yves; Scheller, Henrik V.; Heazlewood, Joshua L.; Ito, Jun] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. [Verhertbruggen, Yves; Scheller, Henrik V.; Heazlewood, Joshua L.; Ito, Jun] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Pogson, Barry J.] Ctr Rech Publ Gabriel Lippmann, Belvaux, Luxembourg. RP Estavillo, GM (reprint author), Australian Natl Univ, Sch Biol, ARC Ctr Excellence Plant Energy Biol & Res, Canberra, ACT, Australia. RI Heazlewood, Joshua/A-2554-2008; Estavillo, Gonzalo/I-1774-2013; Pogson, Barry/C-9953-2009; Scheller, Henrik/A-8106-2008; OI Heazlewood, Joshua/0000-0002-2080-3826; Estavillo, Gonzalo/0000-0002-2726-2321; Pogson, Barry/0000-0003-1869-2423; Scheller, Henrik/0000-0002-6702-3560; Verhertbruggen, Yves/0000-0003-4114-5428 NR 27 TC 3 Z9 3 U1 1 U2 10 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-62703-631-3; 978-1-62703-630-6 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2014 VL 1072 BP 453 EP 467 DI 10.1007/978-1-62703-631-3_31 D2 10.1007/978-1-62703-631-3 PG 15 WC Plant Sciences SC Plant Sciences GA BHR79 UT WOS:000326508000032 PM 24136540 ER PT S AU Parsons, HT Fernandez-Nino, SMG Heazlewood, JL AF Parsons, Harriet T. Fernandez-Nino, Susana M. Gonzalez Heazlewood, Joshua L. BE JorrinNovo, JV Komatsu, S Weckwerth, W Wienkoop, S TI Separation of the Plant Golgi Apparatus and Endoplasmic Reticulum by Free-Flow Electrophoresis SO PLANT PROTEOMICS: METHODS AND PROTOCOLS, 2ND EDITION SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Free-flow electrophoresis; Golgi apparatus; Arabidopsis; Endoplasmic reticulum; Proteomics ID ARABIDOPSIS; MITOCHONDRIA; PROTEOME AB Free-flow electrophoresis (FFE) is a technique for separation of proteins, peptides, organelles, and cells. With zone electrophoresis (ZE-FFE), organelles are separated according to surface charge. The plant Golgi and endoplasmic reticulum (ER) are similar in density and are therefore separated with difficulty using standard techniques such as density centrifugation. Purification of the ER and Golgi apparatus permits a biochemical and proteomic characterization which can reveal the division of processes between these compartments. Here we describe complete separation between the ER and more negatively charged Golgi compartments using ZE-FFE. We also describe techniques for assigning proteins to partially separated ER and the less negatively charged Golgi compartments. C1 [Parsons, Harriet T.; Fernandez-Nino, Susana M. Gonzalez; Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. [Parsons, Harriet T.; Fernandez-Nino, Susana M. Gonzalez; Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Parsons, HT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. RI Heazlewood, Joshua/A-2554-2008; Parsons, Harriet/J-9094-2016 OI Heazlewood, Joshua/0000-0002-2080-3826; Parsons, Harriet/0000-0003-1666-9123 NR 10 TC 2 Z9 2 U1 3 U2 15 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-62703-631-3; 978-1-62703-630-6 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2014 VL 1072 BP 527 EP 539 DI 10.1007/978-1-62703-631-3_35 D2 10.1007/978-1-62703-631-3 PG 13 WC Plant Sciences SC Plant Sciences GA BHR79 UT WOS:000326508000036 PM 24136544 ER PT J AU Cassata, WS AF Cassata, William S. TI In situ dating on Mars: A new approach to the K-Ar method utilizing cosmogenic argon SO ACTA ASTRONAUTICA LA English DT Article DE Mars; Geochronology; Argon; Cosmogenic ID LUNAR CORE DYNAMO; MARTIAN SURFACE; NOBLE-GASES; THERMOCHRONOMETRY; DIFFUSION; METEORITES; ORIGIN; RATES AB Cosmogenic argon isotopes are produced in feldspars via nuclear reactions between cosmic rays and Ca and K atoms within the lattice. These cosmogenic isotopes can be used as proxies for K and Ca, much like nuclear reactor-derived Ar-39 and Ar-37 are used as proxies for K and Ca, respectively, in Ar-40/Ar-39 geochronology. If Ca and K are uniformly distributed, then the ratio of radiogenic Ar-40 (Ar-40*) to cosmogenic Ar-38 or Ar-36 (Ar-38(cos) or Ar-36(cos)) is proportional to the difference between the radioisotopic and exposure ages, as well as the K/Ca ratio of the degassing phase. Thus cosmogenic, radiogenic, and trapped Ar isotopes, all of which can be measured remotely and are stable over geologic time, are sufficient to generate an isochron-like diagram from which the isotopic composition of the trapped component may be inferred. Such data also provide a means to assess the extent to which the system has remained closed with respect to Ar-40*, thereby mitigating otherwise unquantifiable uncertainties that complicate the conventional K-Ar dating method. (C) 2013 IAA. Published by Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Cassata, WS (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM cassata2@llnl.gov 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. NR 30 TC 1 Z9 1 U1 1 U2 18 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0094-5765 EI 1879-2030 J9 ACTA ASTRONAUT JI Acta Astronaut. PD JAN-FEB PY 2014 VL 94 IS 1 BP 222 EP 233 DI 10.1016/j.actaastro.2013.07.040 PG 12 WC Engineering, Aerospace SC Engineering GA 245SJ UT WOS:000326483800020 ER PT J AU Su, WC Wang, JH Zhang, KL Huang, AQ AF Su, Wencong Wang, Jianhui Zhang, Kuilin Huang, Alex Q. TI Model predictive control-based power dispatch for distribution system considering plug-in electric vehicle uncertainty SO ELECTRIC POWER SYSTEMS RESEARCH LA English DT Article DE Smart Grid; Microgrid; Plug-in electric vehicle; Model predictive control ID HYBRID; TECHNOLOGIES; DEMAND; SCHEME AB As an important component of Smart Grid, advanced plug-in electric vehicles (PEVs) are drawing much more attention because of their high energy efficiency, low carbon and noise pollution, and low operational cost. Unlike other controllable loads, PEVs can be connected with the distribution system anytime and anywhere according to the customers' preference. The uncertain parameters (e.g., charging time, initial battery state-of-charge, start/end time) associated with PEV charging make it difficult to predict the charging load. Therefore, the inherent uncertainty and variability of the PEV charging load have complicated the operations of distribution systems. To address these challenges, this paper proposes a model predictive control (MPC)-based power dispatch approach. The proposed objective functions minimize the operational cost while accommodating the PEV charging uncertainty. Case studies are performed on a modified IEEE 37-bus test feeder. The numerical simulation results demonstrate the effectiveness and accuracy of the proposed MPC-based power dispatch scheme. (C) 2013 Elsevier B.V. All rights reserved. C1 [Su, Wencong] Univ Michigan, Dept Elect & Comp Engn, Dearborn, MI 48128 USA. [Wang, Jianhui; Zhang, Kuilin] Argonne Natl Lab, Argonne, IL 60439 USA. [Huang, Alex Q.] N Carolina State Univ, Future Renewable Elect Energy Delivery & Manageme, Raleigh, NC 27606 USA. RP Su, WC (reprint author), Univ Michigan, Dept Elect & Comp Engn, Dearborn, MI 48128 USA. EM wencong@umich.edu; jianhui.wang@anl.gov; kzhang@anl.gov; aqhuang@ncsu.edu RI Huang, Alex/Q-9784-2016 OI Huang, Alex/0000-0003-3427-0335 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under contract No. DE-AC02-06CH11357. NR 29 TC 28 Z9 29 U1 2 U2 58 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7796 EI 1873-2046 J9 ELECTR POW SYST RES JI Electr. Power Syst. Res. PD JAN PY 2014 VL 106 BP 29 EP 35 DI 10.1016/j.epsr.2013.08.001 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA 246RZ UT WOS:000326558100004 ER PT J AU Hufford, C Xing, YL AF Hufford, Casey Xing, Yulong TI Superconvergence of the local discontinuous Galerkin method for the linearized Korteweg-de Vries equation SO JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS LA English DT Article DE Local discontinuous Galerkin method; Korteweg-de Vries equation; Superconvergence; Error estimates ID FINITE-ELEMENT-METHOD; ONE-DIMENSIONAL SYSTEMS; CONSERVATION-LAWS; UNSTRUCTURED GRIDS; VOLUME METHOD; FORMULATION AB We study the superconvergence property of the local discontinuous Galerkin (LOG) method for solving the linearized Korteweg-de Vries (KdV) equation. We prove that, if the piecewise P-k polynomials with k >= 1 are used, the LDG solution converges to a particular projection of the exact solution with the order k + 3/2, when the upwind flux is used for the convection term and the alternating flux is used for the dispersive term. Numerical examples are provided at the end to support the theoretical results. Published by Elsevier B.V. C1 [Hufford, Casey; Xing, Yulong] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. [Xing, Yulong] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Xing, YL (reprint author), Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. EM hufford1@gmail.com; xingy@math.utk.edu FU NSF [DMS-1216454]; ORNL's Laboratory Directed Research and Development funds; U. S. Department of Energy, Office of Advanced Scientific Computing Research; UT-Battelle, LLC [DE-AC05-00OR22725] FX Research is sponsored by the NSF grant DMS-1216454, ORNL's Laboratory Directed Research and Development funds, and the U. S. Department of Energy, Office of Advanced Scientific Computing Research. The work was partially performed at ORNL, which is managed by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725. NR 30 TC 6 Z9 7 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0377-0427 EI 1879-1778 J9 J COMPUT APPL MATH JI J. Comput. Appl. Math. PD JAN 1 PY 2014 VL 255 BP 441 EP 455 DI 10.1016/j.cam.2013.06.004 PG 15 WC Mathematics, Applied SC Mathematics GA 241XK UT WOS:000326201800035 ER PT J AU Thanachareonkit, A Lee, ES McNeil, A AF Thanachareonkit, Anothai Lee, Eleanor S. McNeil, Andrew TI Empirical Assessment of a Prismatic Daylight-Redirecting Window Film in a Full-Scale Office Testbed SO LEUKOS LA English DT Article DE building energy efficiency; daylighting; microstructure film; prismatic film; windows ID DISCOMFORT GLARE AB Daylight-redirecting systems with vertical windows have the potential to offset lighting energy use in deep perimeter zones. Microstructured prismatic window films can be manufactured using low-cost, roll-to-roll fabrication methods and adhered to the inside surface of existing windows as a retrofit measure or installed as a replacement insulating glass unit in the clerestory portion of the window wall. A clear film patterned with linear, 50-to 250-mu m-high, four-sided asymmetrical prisms was fabricated and installed in the south-facing, clerestory low-e, clear glazed windows of a full-scale testbed facility. Views through the film were distorted. The film was evaluated in a sunny climate over a 2-year period to gauge daylighting and visual comfort performance. The daylighting aperture was small (window-to-wall ratio of 0.18) and the lower windows were blocked off to isolate the evaluation to the window film. Workplane illuminance measurements were made in the 4.6-m (15-ft)-deep room furnished as a private office. Analysis of discomfort glare was conducted using high dynamic range imaging coupled with the EvalGlare software tool, which computes the daylight glare probability and other metrics used to evaluate visual discomfort. The window film was found to result in perceptible levels of discomfort glare on clear sunny days from the most conservative view point in the rear of the room looking toward the window. Daylight illuminance levels at the rear of the room were significantly increased above the reference window condition, which was defined as the same glazed clerestory window but with an interior Venetian blind (slat angle set to the cut-off angle), for the equinox to winter solstice period on clear sunny days. For partly cloudy and overcast sky conditions, daylight levels were improved slightly. To reduce glare, the daylighting film was coupled with a diffusing film in an insulating glazing unit. The diffusing film retained the directionality of the redirected light spreading it within a small range of outgoing angles. This solution was found to reduce glare to imperceptible levels while retaining for the most part the illuminance levels achieved solely by the daylighting film. C1 [Thanachareonkit, Anothai; Lee, Eleanor S.; McNeil, Andrew] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol & Urban Syst Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Lee, ES (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol & Urban Syst Dept, Environm Energy Technol Div, Mailstop 90-3111,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM eslee@lbl.gov RI McNeil, Andrew/I-9530-2014 OI McNeil, Andrew/0000-0001-9994-9002 FU U.S. Department of Energy [DE-AC02-05CH11231]; California Energy Commission through its Public Interest Energy Research (PIER) Program FX We thank Raghunath Padiyath and Doug Huntley at the 3M Company for their in-kind contributions of time and material and our LBNL colleagues Dennis DiBartolomeo, Howdy Goudey, Daniel Fuller, and David Parker for their technical support throughout the duration of this project. This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Building Technologies Program, of the U.S. Department of Energy, under Contract No. DE-AC02-05CH11231 and by the California Energy Commission through its Public Interest Energy Research (PIER) Program on behalf of the citizens of California. NR 23 TC 5 Z9 5 U1 0 U2 11 PU ILLUMINAT ENG SOC NORTH AMER PI NEW YORK PA 120 WALL ST, 17TH FL, NEW YORK, NY 10005-4001 USA SN 1550-2724 EI 1550-2716 J9 LEUKOS JI Leukos PY 2014 VL 10 IS 1 BP 19 EP 45 DI 10.1080/15502724.2014.837345 PG 27 WC Construction & Building Technology; Optics SC Construction & Building Technology; Optics GA 243SP UT WOS:000326337900004 ER PT J AU Kaneko, TK Zhu, JX Howell, N Rozelle, P Sridhar, S AF Kaneko, Tetsuya Kenneth Zhu, Jingxi Howell, Nathan Rozelle, Peter Sridhar, Seetharaman TI The effects of gasification feedstock chemistries on the infiltration of slag into the porous high chromia refractory and their reaction products SO FUEL LA English DT Article DE Coal gasification; Petroleum coke; Coal-derived slags; High-chromia refractory; Infiltration ID OXYGEN PARTIAL-PRESSURE; CATION DIFFUSION; COAL; EQUILIBRIA; VISCOSITY; CORROSION AB Synthetic slags with compositions representative of carbonaceous feedstock derived from coal and petroleum coke were infiltrated into 90% Cr2O3-10% Al2O3 refractory material with a temperature gradient induced along the penetration direction of the slag. Experiments were conducted with a hot-face temperature of 1723 K (1450 degrees C) in a CO/CO2 gas mixture with a ratio of 1.8, which corresponded to an approximate oxygen partial pressure of 10 (8) atm. Interactions between the slags and the refractory produced solid-solution spinel layers on the top interfaces of the refractory samples, whose chemistries reflected the compositions of major constituents of the starting slags. FeCr2O4 formed when samples were infiltrated with slag composition rich in FeO, which was typical for coals derived from eastern USA. (Mg, Fe)Cr2O4 formed when samples were infiltrated with slags, containing considerable concentrations of both MgO and FeO that were common in western US coals. In slags resulted from substituting 50% (by weight) of the coal feedstock by petcoke, similar solid solution phases formed as the pure coal counterparts, but with addition of V2O3, which originated from the petcoke feedstock. The chromium spinel layers, to a reasonable extent, limited infiltration by hindering the slag from flowing into the porous microstructure of the refractory and the formation mechanisms of the product layers were discussed. The Fe(Cr,V)(2)O-4 layer that formed in the presence of petcoke ash exhibited an uneven morphology. As compared to the FeO rich slags, MgO rich slags penetrated further beyond the protective layers and into the refractory. Both of these phenomena could lead to increased refractory spallation rates in actual gasification conditions. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Kaneko, Tetsuya Kenneth; Zhu, Jingxi] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Kaneko, Tetsuya Kenneth; Zhu, Jingxi; Howell, Nathan] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Rozelle, Peter] US DOE, Off Clean Energy Syst, Washington, DC 20585 USA. [Sridhar, Seetharaman] Univ Warwick, Int Digital Lab, Coventry CV4 7AL, W Midlands, England. RP Zhu, JX (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM jingxiz@andrew.cmu.edu OI Zhu, Jingxi/0000-0002-0019-0647 FU National Energy Technology Laboratory under the RES [DE-FE0004000.5.671.238.001] FX Technical support in conducting experiments by Hugh Thomas, Rick Krabbe and David Boyd at NETL greatly appreciated. This technical effort was performed in support of the National Energy Technology Laboratory's ongoing research in Control of Carbon Feedstock and Impact on Gasifier under the RES contract DE-FE0004000.5.671.238.001. NR 33 TC 6 Z9 6 U1 0 U2 29 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 EI 1873-7153 J9 FUEL JI Fuel PD JAN PY 2014 VL 115 BP 248 EP 263 DI 10.1016/j.fuel.2013.06.052 PG 16 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 234LY UT WOS:000325647000030 ER PT J AU Sathre, R AF Sathre, Roger TI Comparing the heat of combustion of fossil fuels to the heat accumulated by their lifecycle greenhouse gases SO FUEL LA English DT Article DE Greenhouse gases; Cumulative radiative forcing; Fossil fuels; Higher heating value; Fuel cycle AB We compare the heat released directly due to combustion of fossil fuels to the heat accumulated indirectly in the earth system due to the effect of greenhouse gases (GHGs) associated with the fuels. We differentiate between GHG emissions from the combustion products of fossil fuels and from the fuel cycle activities of extracting, processing, and transporting the fuels. We find that the direct release of heat from the combustion of fossil fuels is minor in relation to the indirect accumulation of heat due to radiative forcing. The quantity of indirect heat accumulated by GHGs continues to increase over time, as additional energy is accumulated in the earth system as long as the GHGs remain in the atmosphere. Fuel cycle emissions contribute significantly to total lifecycle GHG emissions and radiative forcing. (C) 2013 Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. RP Sathre, R (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. EM rsathre@lbl.gov FU US Department of Energy [DE-AC02-05CH11231] FX Lawrence Berkeley National Laboratory is supported by the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 15 TC 11 Z9 11 U1 2 U2 20 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 EI 1873-7153 J9 FUEL JI Fuel PD JAN PY 2014 VL 115 BP 674 EP 677 DI 10.1016/j.fuel.2013.07.069 PG 4 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 234LY UT WOS:000325647000078 ER PT J AU Joghee, P Pylypenko, S Wood, K Corpuz, A Bender, G Dinh, HN O'Hayre, R AF Joghee, Prabhuram Pylypenko, Svitlana Wood, Kevin Corpuz, April Bender, Guido Dinh, Huyen N. O'Hayre, Ryan TI Improvement in direct methanol fuel cell performance by treating the anode at high anodic potential SO JOURNAL OF POWER SOURCES LA English DT Article DE Direct methanol fuel cell; Anodic treatment; MOR polarization; Long-term performance; CO stripping voltammetry; Reorganization of Nafion ionomer ID HYDROUS RUTHENIUM OXIDE; CATALYST LAYER; DMFC; RU; OXIDATION; MEMBRANE; DEGRADATION; ELECTRODE; CARBON; CROSSOVER AB This work investigates the effect of a high anodic potential treatment protocol on the performance of a direct methanol fuel cell (DMFC). DMFC membrane electrode assemblies (MEAs) with PtRu/C (Hi-spec 5000) anode catalyst are subjected to anodic treatment (AT) at 0.8 V vs. DHE using potentiostatic method. Despite causing a slight decrease in the electrochemical surface area (ECSA) of the anode, associated with ruthenium dissolution, AT results in significant improvement in DMFC performance in the ohmic and mass transfer regions and increases the maximum power density by similar to 15%. Furthermore, AT improves the long-term DMFC stability by reducing the degradation of the anode catalyst. From XPS investigation, it is hypothesized that the improved performance of AT-treated MEAs is related to an improved interface between the catalyst and Nafion ionomer. Among potential explanations, this improvement may be caused by incorporation of the ionomer within the secondary pores of PtRu/C agglomerates, which generates a percolating network of ionomer between PtRu/C agglomerates in the catalyst layer. Furthermore, the decreased concentration of hydrophobic CF2 groups may help to enhance the hydrophilicity of the catalyst layer, thereby increasing the accessibility of methanol and resulting in better performance in the high current density region. (C) 2013 Elsevier B.V. All rights reserved. C1 [Joghee, Prabhuram; Pylypenko, Svitlana; Wood, Kevin; O'Hayre, Ryan] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. [Pylypenko, Svitlana; Bender, Guido; Dinh, Huyen N.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Corpuz, April] Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80303 USA. RP Joghee, P (reprint author), Colorado Sch Mines, Dept Met & Mat Engn, 1500 Illinois St, Golden, CO 80401 USA. EM pjoghee@mines.edu FU Army Research Office [W911NF-09-1-0528]; U.S. Department of Energy EERE, Fuel Cell Technologies Program [DE-AC36-08-GO28308]; National Renewable Energy Laboratory FX This work was supported by the Army Research Office under grant #W911NF-09-1-0528 and the U.S. Department of Energy EERE, Fuel Cell Technologies Program, under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. The authors also acknowledge surface analysis and fuel cell testing facilities provided at NREL. NR 53 TC 6 Z9 6 U1 2 U2 76 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JAN 1 PY 2014 VL 245 BP 37 EP 47 DI 10.1016/j.jpowsour.2013.06.105 PG 11 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 229AP UT WOS:000325234500006 ER PT J AU Papandrew, AB Zawodzinski, TA AF Papandrew, Alexander B. Zawodzinski, Thomas A., Jr. TI Nickel catalysts for hydrogen evolution from CsH2PO4 SO JOURNAL OF POWER SOURCES LA English DT Article DE Solid acids; Inorganic proton conductors; Hydrogen evolution; Non-precious catalysts ID ACID-SOLUTIONS; OXIDATION AB Unsupported nickel was evaluated as an electrocatalyst material in an electrochemical hydrogen pump using the superprotonic solid acid CsH2PO4 as a proton exchange membrane. In humidified hydrogen at 250 degrees C, Ni-based electrodes display a stable proton reduction current of 207 mA cm(-2) at a -0.2 V cell potential. Electrodes utilizing carbon-supported Pt catalysts evolved hydrogen at 558 mA cm(-2) under identical conditions. Hydrogen evolution and oxidation are reversible on Pt, but hydrogen oxidation activity is virtually absent on Ni. (C) 2013 Elsevier B.V. All rights reserved. C1 [Papandrew, Alexander B.; Zawodzinski, Thomas A., Jr.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Zawodzinski, Thomas A., Jr.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Papandrew, AB (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. EM apapandrew@utk.edu; tzawodzi@utk.edu FU Office of Naval Research [N000141210887] FX The authors gratefully acknowledge support from the Office of Naval Research (Award N000141210887). A.B.P Thanks Gabriel Goenaga and Samantha Hawks for electrochemical surface area measurements. NR 17 TC 7 Z9 7 U1 2 U2 73 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD JAN 1 PY 2014 VL 245 BP 171 EP 174 DI 10.1016/j.jpowsour.2013.06.141 PG 4 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 229AP UT WOS:000325234500021 ER PT J AU Chlistunoff, J AF Chlistunoff, Jerzy TI Oxygen permeability of cast ionomer films from chronoamperometry on microelectrodes SO JOURNAL OF POWER SOURCES LA English DT Article DE Fuel cells; Oxygen reduction; 6F-40; Diffusion coefficient; Shoup and Szabo equation ID PROTON-EXCHANGE MEMBRANES; PRESSURE-DEPENDENCE; ELECTRODE-KINETICS; REDUCTION REACTION; NAFION INTERFACE; MASS-TRANSPORT; O-2 REDUCTION; FUEL-CELL; PLATINUM; TEMPERATURE AB The paper presents a method for determination of diffusion coefficient and solubility of oxygen in cast polymer electrolyte from chronoamperometry of oxygen on polymer electrolyte coated platinum disk ultramicroelectrodes. The approach is based on numerical fitting of measured currents to the known but not previously used for polymer electrolytes equation derived by Shoup and Szabo. The method was applied to cast films of a novel polymer electrolyte 6F-40. As opposed to Nafion (R), cast 6F-40 films do not undergo interfacial restructuring, i.e., they retain their original morphology under selected temperature and humidity conditions, which allows for accurate determination of both parameters from measurements for a range of electrode radii and film thicknesses. It is demonstrated that the Shoup and Szabo equation satisfactorily describes measured current transients for shorter oxygen reduction times, i.e., when the diffusion field in the thin polymer film can be regarded as semiinfinite. The accuracy of the diffusion coefficient and solubility determinations was not measurably affected by the product water and the observed systematic changes of the fit quality in various time domains were attributed to approximate character of the fitting equation. (C) 2013 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Chlistunoff, J (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663,MS D429, Los Alamos, NM 87545 USA. EM jerzy@lanl.gov FU DOE Office of Energy Efficiency and Renewable Energy FX Thanks are due to Dr. Yu Seung Kim who kindly provided a sample of 6F-40 solution and to the DOE Office of Energy Efficiency and Renewable Energy for financial support. NR 23 TC 7 Z9 7 U1 2 U2 59 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JAN 1 PY 2014 VL 245 BP 203 EP 207 DI 10.1016/j.jpowsour.2013.06.128 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 229AP UT WOS:000325234500025 ER PT J AU Tucker, MC Cho, KT Weber, AZ AF Tucker, Michael C. Cho, Kyu Taek Weber, Adam Z. TI Optimization of the iron-ion/hydrogen redox flow cell with iron chloride catholyte salt SO JOURNAL OF POWER SOURCES LA English DT Article DE Redox flow cell; Redox flow battery; Reversible fuel cell; Iron chloride ID STORAGE APPLICATIONS; ENERGY-STORAGE; ELECTRODES; BATTERIES; KINETICS AB A redox flow cell utilizing the Fe2+/Fe3+ and H-2/H+ couples is investigated as an energy-storage device. A conventional polymer-electrolyte-fuel-cell anode and membrane design is employed, with a cathode containing a carbon porous electrode flooded with iron chloride in an aqueous acidic solution. Foam, paper, and fabric carbon electrodes are studied, and it is found that SGL Sigracet 10AA carbon paper provides the best performance. This carbon paper is then impregnated with a wide variety of carbon powders, and it is found that none improve performance significantly, with several reducing it. Membranes of varying thickness and composition are studied, and there is a trade-off between charge/discharge performance and self-discharge. It is found that the concentration of HCl supporting electrolyte has a dramatic impact on charging performance and OCV. Charge currents in excess of 1 A cm(-2) are achieved for 4 and 6 M HCl. The maximum discharge power density, 257 mW cm(-2), is achieved for 0.9 M iron chloride with 0.9 M HCl. (C) 2013 Elsevier B.V. All rights reserved. C1 [Tucker, Michael C.; Cho, Kyu Taek; Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Tucker, MC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mctucker@lbl.gov OI Weber, Adam/0000-0002-7749-1624 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors thank Drs. John Kerr, Phil Ross, Venkat Srinivasan, and Vincent Battaglia for fruitful discussions. This work was supported in part by the Assistant Secretary for Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, of the U.S. Department of Energy under contract number DE-AC02-05CH11231. NR 23 TC 12 Z9 12 U1 1 U2 74 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JAN 1 PY 2014 VL 245 BP 691 EP 697 DI 10.1016/j.jpowsour.2013.07.029 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 229AP UT WOS:000325234500087 ER PT J AU Syzdek, J Marcinek, M Kostecki, R AF Syzdek, Jaroslaw Marcinek, Marek Kostecki, Robert TI Electrochemical activity of carbon blacks in LiPF6-based organic electrolytes SO JOURNAL OF POWER SOURCES LA English DT Article DE Li-ion battery; Positive electrode; Carbon black; Degradation ID LITHIUM-ION BATTERIES; COMPOSITE CATHODES; GRAPHITE; INTERCALATION; SPECTROSCOPY; ETHYLENE; CELLS; PYROGRAPHITE; DICARBONATE; MICROSCOPY AB Electrochemical behavior of carbon black (CB) additives in 1 M LiPF6 EC/DEC (3:7 vol.) electrolyte in the operation potential range of positive electrodes in Li-ion cells was investigated. Various carbon blacks display noticeable electrochemical activity towards PF6- intercalation and electrolyte oxidation at potentials >4.0 V vs. Li/Li+. In situ X-ray diffraction, Raman spectroscopy, and ex situ scanning electron microscopy and Fourier Transform Infrared (FTIR) spectroscopy showed that repetitive intercalation/deintercalation of PF6- anions leads to structural alteration and degradation of carbon black nanoparticles. The mechanism of these interfacial processes on CB electrodes and their implications for electrochemical performance of high-voltage Li-ion electrodes during long-term cycling is evaluated. (C) 2013 Elsevier B.V. All rights reserved. C1 [Syzdek, Jaroslaw; Marcinek, Marek; Kostecki, Robert] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Marcinek, Marek] Warsaw Univ Technol, Fac Chem, PL-00664 Warsaw, Poland. RP Kostecki, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM r_kostecki@lbl.gov FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 43 TC 20 Z9 20 U1 8 U2 137 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JAN 1 PY 2014 VL 245 BP 739 EP 744 DI 10.1016/j.jpowsour.2013.07.033 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 229AP UT WOS:000325234500093 ER PT J AU Zhao, TL Li, L Chen, S Chen, RJ Zhang, XX Lu, J Wu, F Amine, K AF Zhao, Taolin Li, Li Chen, Shi Chen, Renjie Zhang, Xiaoxiao Lu, Jun Wu, Feng Amine, Khalil TI The effect of chromium substitution on improving electrochemical performance of low-cost Fe-Mn based Li-rich layered oxide as cathode material for lithium-ion batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium-ion battery; Cathode material; Iron-manganese oxide; Chromium substitution ID MANGANESE OXIDES; ELECTRODES; CAPACITY; LI2MNO3; LICOO2; CR AB Novel lithium-rich cathode materials, LiFe1-xCrxO2 center dot Li2MnO3 (x = 0, 0.1, 0.25, 0.5), have been successfully synthesized using a co-precipitation method followed by hydrothermal and calcination treatment. The effects of Cr substitution on the structure and electrochemical properties of these materials are investigated. These composite materials with layered structure are mainly composed of agglomerated spherical particles with uniform particle size distribution. The sample with x = 0.1 delivers higher initial discharge capacity and higher initial Coulombic efficiency, which is believed to be associated with the oxidation of Cr3+ suggested by the CV curve. This sample also exhibits better rate capability than samples with other "x" values due to its low charge transfer resistance. The best cycling stability and highest reversible discharge capacity (226 mAh g(-1) after 50 cycles) are obtained for the sample with x = 0.25. Excessive Cr substitution of Fe in the composite may suppress the oxygen release from Li2MnO3 on the first charging, which is helpful to stabilize the composite structure. This study not only provides a rational design approach for high-capacity cathode materials, but also demonstrates that the LiFe1-xCrxO2 center dot Li2MnO3, is very attractive as cathode materials for lithium-ion batteries, providing that the amount of Cr substitution can be controlled appropriately. (C) 2013 Elsevier B.V. All rights reserved. C1 [Zhao, Taolin; Li, Li; Chen, Shi; Chen, Renjie; Zhang, Xiaoxiao; Wu, Feng] Beijing Inst Technol, Sch Chem Engn & Environm, Beijing Key Lab Environm Sci & Engn, Beijing 100081, Peoples R China. [Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Li, L (reprint author), Beijing Inst Technol, Sch Chem Engn & Environm, Beijing Key Lab Environm Sci & Engn, Beijing 100081, Peoples R China. EM lily863@bit.edu.cn; amine@anl.gov FU International S&T Cooperation Program of China [2010DFB63370]; Chinese National 973 Program [2009CB220106]; Beijing Nova Program [Z121103002512029]; Beijing Excellent Talents Plan funding; New Century Educational Talents Plan of the Chinese Education Ministry [NCET-12-0050]; Argonne National Laboratory, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The experimental work of this study was supported by the International S&T Cooperation Program of China (2010DFB63370), the Chinese National 973 Program (2009CB220106), Beijing Nova Program (Z121103002512029), Beijing Excellent Talents Plan funding and the New Century Educational Talents Plan of the Chinese Education Ministry (NCET-12-0050). Argonne National Laboratory, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. NR 34 TC 17 Z9 18 U1 9 U2 247 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JAN 1 PY 2014 VL 245 BP 898 EP 907 DI 10.1016/j.jpowsour.2013.07.026 PG 10 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 229AP UT WOS:000325234500115 ER PT J AU Mitri, FG Fellah, ZEA AF Mitri, F. G. Fellah, Z. E. A. TI Mechanism of the quasi-zero axial acoustic radiation force experienced by elastic and viscoelastic spheres in the field of a quasi-Gaussian beam and particle tweezing SO ULTRASONICS LA English DT Article DE Radiation force; Quasi-Gaussian beam; Acoustic scattering; Elastic and viscoelastic sphere ID PLANE-PROGRESSIVE WAVES; ORDER BESSEL BEAM; SPHERICAL WAVE; RIGID SPHERE; COMPLEX RAYS; SCATTERING; FLUID; EXCITATION; CYLINDER; SHELLS AB The present analysis investigates the (axial) acoustic radiation force induced by a quasi-Gaussian beam centered on an elastic and a viscoelastic (polymer-type) sphere in a nonviscous fluid. The quasi-Gaussian beam is an exact solution of the source free Helmholtz wave equation and is characterized by an arbitrary waist w(0) and a diffraction convergence length known as the Rayleigh range z(R). Examples are found where the radiation force unexpectedly approaches closely to zero at some of the elastic sphere's resonance frequencies for kw(0) <= 1 (where this range is of particular interest in describing strongly focused or divergent beams), which may produce particle immobilization along the axial direction. Moreover, the (quasi) vanishing behavior of the radiation force is found to be correlated with conditions giving extinction of the backscattering by the quasi-Gaussian beam. Furthermore, the mechanism for the quasi-zero force is studied theoretically by analyzing the contributions of the kinetic, potential and momentum flux energy densities and their density functions. It is found that all the components vanish simultaneously at the selected ka values for the nulls. However, for a viscoelastic sphere, acoustic absorption degrades the quasi-zero radiation force. (C) 2013 Elsevier B.V. All rights reserved. C1 [Mitri, F. G.] Los Alamos Natl Lab, Acoust & Sensors Technol Team, Los Alamos, NM 87545 USA. [Fellah, Z. E. A.] CNRS UPR 7051, Lab Mecan & Acoust, F-13402 Marseille, France. RP Mitri, FG (reprint author), Los Alamos Natl Lab, Acoust & Sensors Technol Team, MPA-11,MS D429, Los Alamos, NM 87545 USA. EM mitri@ieee.org FU Director's fellowship, Los Alamos National Laboratory [LDRD-X9N9, 20100595PRD1] FX The financial support provided through a Director's fellowship (LDRD-X9N9, Project # 20100595PRD1) from Los Alamos National Laboratory is gratefully acknowledged. Disclosure: this unclassified publication, with the following Reference No. LA-UR 1323080, has been approved for unlimited public release under DUSA ENSCI. NR 45 TC 9 Z9 9 U1 1 U2 46 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0041-624X J9 ULTRASONICS JI Ultrasonics PD JAN PY 2014 VL 54 IS 1 BP 351 EP 357 DI 10.1016/j.ultras.2013.04.010 PG 7 WC Acoustics; Radiology, Nuclear Medicine & Medical Imaging SC Acoustics; Radiology, Nuclear Medicine & Medical Imaging GA 215XJ UT WOS:000324244100041 PM 23683798 ER PT J AU Mitri, FG AF Mitri, F. G. TI Acoustic radiation force of high-order Bessel beam standing wave tweezers on a rigid sphere (vol 49, pg 794, 2009) SO ULTRASONICS LA English DT Correction C1 Los Alamos Natl Lab, Acoust & Sensors Technol Team, Los Alamos, NM 87545 USA. RP Mitri, FG (reprint author), Los Alamos Natl Lab, Acoust & Sensors Technol Team, MPA-11,MS D429, Los Alamos, NM 87545 USA. EM mitri@lanl.gov NR 2 TC 3 Z9 3 U1 0 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0041-624X J9 ULTRASONICS JI Ultrasonics PD JAN PY 2014 VL 54 IS 1 BP 419 EP 420 DI 10.1016/j.ultras.2013.05.004 PG 2 WC Acoustics; Radiology, Nuclear Medicine & Medical Imaging SC Acoustics; Radiology, Nuclear Medicine & Medical Imaging GA 215XJ UT WOS:000324244100049 ER PT J AU Pirbhai, M Knepper, J Litaker, ET Tupa, D Gay, TJ AF Pirbhai, M. Knepper, J. Litaker, E. T. Tupa, D. Gay, T. J. TI Optically pumped spin-exchange polarized-electron source SO PHYSICAL REVIEW A LA English DT Article ID ALKALI-METAL VAPOR; CROSS-SECTIONS; RADIATION; MOLECULES; COLLISIONS; NITROGEN; IMPACT; GASES; ATOMS AB We describe the operation of a prototype polarized-electron source. Rubidium vapor, contained in a cell, is optically pumped in the presence of a buffer gas. Unpolarized electrons from a tungsten filament are injected into the cell and extracted after undergoing spin exchange with the Rb atoms. We compare the performance of the source when different buffer gases are used. We measure a decrease in electron polarization as their injection energy increases, but find an unexpected regime at higher injection energies yielding increased electron polarization accompanied by a 40-fold increase in current, suggesting the production of slow secondary electrons in the target cell. With ethylene, we have measured electron currents of 4 mu A simultaneously with electron polarizations of 24%. This work offers the promise of a simple, benchtop, "turnkey" source of polarized electrons. C1 [Pirbhai, M.; Knepper, J.; Litaker, E. T.; Gay, T. J.] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. [Tupa, D.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Pirbhai, M (reprint author), Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. OI Pirbhai, Munir/0000-0001-7483-7012; Tupa, Dale/0000-0002-6265-5016 FU NSF [PHY-0855629, PHY-1206067, PHY-0821385] FX We wish to thank L. Marquart, H. Batelaan, and especially P. D. Burrow for numerous helpful conversations. G. Richards and D. Ryan were involved in this effort in its early stages. This work has been supported by the NSF [Grants No. PHY-0855629, No. PHY-1206067, and No. PHY-0821385 (MRI)] and has been approved for unlimited release under LANL Release No. LA-UR-13-26405. NR 26 TC 1 Z9 1 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 EI 1094-1622 J9 PHYS REV A JI Phys. Rev. A PD DEC 31 PY 2013 VL 88 IS 6 AR 060701 DI 10.1103/PhysRevA.88.060701 PG 5 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA AB9KY UT WOS:000332113400002 ER PT J AU Bakr, M Souliou, SM Blanco-Canosa, S Zegkinoglou, I Gretarsson, H Strempfer, J Loew, T Lin, CT Liang, R Bonn, DA Hardy, WN Keimer, B Le Tacon, M AF Bakr, M. Souliou, S. M. Blanco-Canosa, S. Zegkinoglou, I. Gretarsson, H. Strempfer, J. Loew, T. Lin, C. T. Liang, R. Bonn, D. A. Hardy, W. N. Keimer, B. Le Tacon, M. TI Lattice dynamical signature of charge density wave formation in underdoped YBa2Cu3O6+x SO PHYSICAL REVIEW B LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTOR; COPPER-OXIDE SUPERCONDUCTORS; ELECTRON-PHONON INTERACTION; YBCO SINGLE-CRYSTALS; RAMAN-SCATTERING; CUPRATE SUPERCONDUCTORS; PHASE-TRANSITIONS; SPIN DYNAMICS; STRIPE ORDER; YBA2CU3O7-DELTA AB We report a detailed Raman scattering study of the lattice dynamics in detwinned single crystals of the underdoped high-temperature superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at room temperature the phonon spectra of these compounds are similar to that of optimally doped YBa2Cu3O6.99, additional Raman-active modes appear upon cooling below similar to 170-200Kin underdoped crystals. The temperature dependence of these new features indicates that they are associated with the incommensurate charge density wave state recently discovered using synchrotron x-ray scattering techniques on the same single crystals. Raman scattering thus has the potential to explore the evolution of this state under extreme conditions. C1 [Bakr, M.; Souliou, S. M.; Blanco-Canosa, S.; Zegkinoglou, I.; Gretarsson, H.; Loew, T.; Lin, C. T.; Keimer, B.; Le Tacon, M.] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany. [Bakr, M.] Jazan Univ, Dept Phys, Jazan 45142, Saudi Arabia. [Blanco-Canosa, S.] Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany. [Zegkinoglou, I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Strempfer, J.] Deutsch Elektronensynchrotron DESY, Hamburger Synchrotronstrahlungslabor HASYLAB, D-22605 Hamburg, Germany. [Liang, R.; Bonn, D. A.; Hardy, W. N.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. RP Bakr, M (reprint author), Max Planck Inst Festkorperforsch, Heisenbergstr 1, D-70569 Stuttgart, Germany. RI Blanco-Canosa, Santiago/A-2928-2015; Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011 OI Blanco-Canosa, Santiago/0000-0002-4437-5846; Le Tacon, Mathieu/0000-0002-5838-3724 FU International Max Planck Research School for Advanced Materials FX We acknowledge fruitful discussions with C. Bernhard, L. Boeri, M. Cardona, M. Calandra, T. P. Devereaux, D. Efremov, G. Khaliullin, Y. Li, D. Manske, I. Mazin, A. Schnyder, and R. Zeyher. M. B. thanks V. Hinkov, D. Haug, R. Merkle, M. Raichle, and B. Baum for their help in sample preparation, A. Schulz for technical help, and the International Max Planck Research School for Advanced Materials for financial support. NR 105 TC 14 Z9 14 U1 1 U2 41 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD DEC 31 PY 2013 VL 88 IS 21 AR 214517 DI 10.1103/PhysRevB.88.214517 PG 11 WC Physics, Condensed Matter SC Physics GA AC0DO UT WOS:000332165200002 ER PT J AU Biswas, PK Amato, A Baines, C Khasanov, R Luetkens, H Lei, HC Petrovic, C Morenzoni, E AF Biswas, P. K. Amato, A. Baines, C. Khasanov, R. Luetkens, H. Lei, Hechang Petrovic, C. Morenzoni, E. TI Low superfluid density and possible multigap superconductivity in the BiS2-based layered superconductor Bi4O4S3 SO PHYSICAL REVIEW B LA English DT Article ID MAGNETIC PENETRATION DEPTH; MU-SR; MGB2; TEMPERATURE AB The magnetic penetration depth lambda as a function of temperature in Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The superfluid density of Bi4O4S3 is found to be very low. The dependence of lambda (2) on temperature possibly suggests the existence of two s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and 0.09 (4) meV. The upturn in the temperature dependence of the upper critical field close to T-c further supports multigap superconductivity in Bi4O4S3. The presence of two superconducting energy gaps is consistent with theoretical and other experimental studies. However, a single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled out completely. The value of lambda(T) at T = 0 K is estimated to be lambda(0) = 861 (17) nm, one of the largest of all known layered superconductors, reflecting a very low superfluid density. C1 [Biswas, P. K.; Amato, A.; Baines, C.; Khasanov, R.; Luetkens, H.; Morenzoni, E.] Paul Scherrer Inst, Lab Muon Spin Spect, CH-5232 Villigen, Switzerland. [Lei, Hechang; Petrovic, C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Biswas, PK (reprint author), Paul Scherrer Inst, Lab Muon Spin Spect, CH-5232 Villigen, Switzerland. EM pabitra.biswas@psi.ch; elvezio.morenzoni@psi.ch RI Petrovic, Cedomir/A-8789-2009; Amato, Alex/H-7674-2013; LEI, Hechang/H-3278-2016; Luetkens, Hubertus/G-1831-2011; OI Petrovic, Cedomir/0000-0001-6063-1881; Amato, Alex/0000-0001-9963-7498; Khasanov, Rustem/0000-0002-4768-5524 FU Center for Emergent Superconductivity, an Energy Frontier Research Center; DOE Office for Basic Energy Science FX The mu SR experiments were performed at the Swiss Muon Source (S mu S), Paul Scherrer Institute (PSI, Switzerland). Work at Brookhaven is supported by the Center for Emergent Superconductivity, an Energy Frontier Research Center funded by the DOE Office for Basic Energy Science (H.L. and C.P.). P.K.B. would like to acknowledge M. Medarde and R. Sibille for their assistance in the transport measurements. NR 40 TC 13 Z9 13 U1 4 U2 34 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 31 PY 2013 VL 88 IS 22 AR 224515 DI 10.1103/PhysRevB.88.224515 PG 5 WC Physics, Condensed Matter SC Physics GA AC0DY UT WOS:000332166200005 ER PT J AU Park, K Nomura, Y Arita, R Llobet, A Louca, D AF Park, Keeseong Nomura, Yusuke Arita, Ryotaro Llobet, Anna Louca, Despina TI Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological insulators SO PHYSICAL REVIEW B LA English DT Article ID SINGLE DIRAC CONE; ELECTRON-GAS; SURFACE; BI2TE3; ALLOYS AB Using neutron diffraction and the pair density function analysis, the local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1, 2, and 3) topological insulator is investigated. The substitution of Te for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its preferred site is at the edges of the quintuple layer. This generates a local strain due to the atom size mismatch between Se and Te. The site preference is surprising given that the Bi to chalcogen bonds are strongest when the ions are at the edges than in the middle layer. The (Se/Te) atoms in the middle sublayer of the quintuple are coupled more softly to the Bi atoms than those of the edges and have lower Debye temperatures. This suggests that the atomic properties within the quintuple layer are different than those at the edges. Additionally, the results from band structure and density of state calculations are reported to show the dependence of doping and temperature. C1 [Park, Keeseong; Louca, Despina] Univ Virginia, Charlottesville, VA 22904 USA. [Nomura, Yusuke; Arita, Ryotaro] Univ Tokyo, Dept Appl Phys, Bunkyo Ku, Tokyo 1138656, Japan. [Llobet, Anna] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Park, K (reprint author), Daegu Gyeongbuk Inst Sci & Technol, Basic Sci Coll, Taegu 711873, South Korea. RI Arita, Ryotaro/D-5965-2012; Nomura, Yusuke/B-8504-2014; Llobet, Anna/B-1672-2010 OI Arita, Ryotaro/0000-0001-5725-072X; FU US Department of Energy [DE-FG02-01ER45927]; Los Alamos National Security LLC [DE-AC52-06NA25396] FX This work was supported by the US Department of Energy under Contract DE-FG02-01ER45927. This work benefited from the use of HIPD at the Lujan Center at Los Alamos Neutron Science Center. The Los Alamos National Laboratory is operated by Los Alamos National Security LLC under Contract DE-AC52-06NA25396. NR 37 TC 5 Z9 5 U1 5 U2 30 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 31 PY 2013 VL 88 IS 22 AR 224108 DI 10.1103/PhysRevB.88.224108 PG 7 WC Physics, Condensed Matter SC Physics GA AC0DY UT WOS:000332166200002 ER PT J AU Zha, WM Yang, C Huang, BC Ruan, LJ Yang, S Tang, ZB Xu, ZB AF Zha, Wangmei Yang, Chi Huang, Bingchu Ruan, Lijuan Yang, Shuai Tang, Zebo Xu, Zhangbu TI Systematic study of the experimental measurements on ratios of different states SO PHYSICAL REVIEW C LA English DT Article ID UPSILON-PRODUCTION; HEAVY FLAVOR; COLLISIONS; GAMMA; RESONANCES; SEARCH; MATTER; J/PSI; PAIRS; STAR AB The world data on yields and ratios of different states created in hadron collisions at s = 19-8000 GeV are examined in a systematic way. We derive that the ratios of (2S)/(1S) and (3S)/(1S) are 0.290 +/- 0.007(stat.) +/- 0.014(syst.) and 0. 131 +/- 0.005(stat.) +/- 0.003(syst.), respectively, for p + p collisions at root s = 200 GeV. A small energy dependence of these ratios is observed within the broad collision energies. In addition, the rapidity, transverse momentum, and transverse mass dependence of these ratios are also reported. C1 [Zha, Wangmei; Yang, Chi; Yang, Shuai; Tang, Zebo] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Zha, Wangmei; Yang, Chi; Huang, Bingchu; Ruan, Lijuan; Yang, Shuai; Xu, Zhangbu] Brookhaven Natl Lab, New York, NY USA. RP Zha, WM (reprint author), Univ Sci & Technol China, Hefei 230026, Peoples R China. EM wangmei@rcf.rhic.bnl.gov RI Huang, Bingchu/H-6343-2015 OI Huang, Bingchu/0000-0002-3253-3210 FU STAR Collaboration; RHIC Computing Facility at Brookhaven National Laboratory; U. S. Department of Energy Office of Science [DE-AC02-98CH10886]; National Natural Science Foundation of China [11005103, 11005104] FX We express our gratitude to the STAR Collaboration and the RHIC Computing Facility at Brookhaven National Laboratory for their support. This work was supported in part by the U. S. Department of Energy Office of Science under Contract No. DE-AC02-98CH10886; Wangmei Zha and Chi Yang are supported in part by the National Natural Science Foundation of China under Grant Nos. 11005103 and 11005104. NR 36 TC 1 Z9 1 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD DEC 31 PY 2013 VL 88 IS 6 AR 067901 DI 10.1103/PhysRevC.88.067901 PG 5 WC Physics, Nuclear SC Physics GA AB9WY UT WOS:000332147600002 ER PT J AU Sarovar, M Young, KC AF Sarovar, Mohan Young, Kevin C. TI Error suppression and error correction in adiabatic quantum computation: non-equilibrium dynamics SO NEW JOURNAL OF PHYSICS LA English DT Article ID THERMAL-STABILITY; MEMORY; SYSTEMS AB While adiabatic quantum computing (AQC) has some robustness to noise and decoherence, it is widely believed that encoding, error suppression and error correction will be required to scale AQC to large problem sizes. Previous works have established at least two different techniques for error suppression in AQC. In this paper we derive a model for describing the dynamics of encoded AQC and show that previous constructions for error suppression can be unified with this dynamical model. In addition, the model clarifies the mechanisms of error suppression and allows the identification of its weaknesses. In the second half of the paper, we utilize our description of non-equilibrium dynamics in encoded AQC to construct methods for error correction in AQC by cooling local degrees of freedom (qubits). While this is shown to be possible in principle, we also identify the key challenge to this approach: the requirement of high-weight Hamiltonians. Finally, we use our dynamical model to perform a simplified thermal stability analysis of concatenated-stabilizer-code encoded many-body systems for AQC or quantum memories. This work is a companion paper to 'Error suppression and error correction in adiabatic quantum computation: techniques and challenges (2013 Phys. Rev. X 3 041013)', which provides a quantum information perspective on the techniques and limitations of error suppression and correction in AQC. In this paper we couch the same results within a dynamical framework, which allows for a detailed analysis of the non-equilibrium dynamics of error suppression and correction in encoded AQC. C1 [Sarovar, Mohan; Young, Kevin C.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Sarovar, M (reprint author), Sandia Natl Labs, MS 9158,7011 East Ave, Livermore, CA 94550 USA. EM mnsarov@sandia.gov NR 37 TC 12 Z9 12 U1 2 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD DEC 31 PY 2013 VL 15 AR 125032 DI 10.1088/1367-2630/15/12/125032 PG 36 WC Physics, Multidisciplinary SC Physics GA 299ES UT WOS:000330379000001 ER PT J AU Duijvesz, D Burnum-Johnson, KE Gritsenko, MA Hoogland, AM Vredenbregt-van den Berg, MS Willemsen, R Luider, T Pasa-Tolic, L Jenster, G AF Duijvesz, Diederick Burnum-Johnson, Kristin E. Gritsenko, Marina A. Hoogland, A. Marije Vredenbregt-van den Berg, Mirella S. Willemsen, Rob Luider, Theo Pasa-Tolic, Ljiljana Jenster, Guido TI Proteomic Profiling of Exosomes Leads to the Identification of Novel Biomarkers for Prostate Cancer SO PLOS ONE LA English DT Article ID FATTY-ACID SYNTHASE; GENE-EXPRESSION; OVARIAN-CANCER; MODEL SYSTEM; CELL-LINES; XENOGRAFT; PROTEINS; DATABASE; ADENOCARCINOMA; THROUGHPUT AB Background: Current markers for prostate cancer, such as PSA lack specificity. Therefore, novel biomarkers are needed. Unfortunately, the complexity of body fluids often hampers biomarker discovery. An attractive alternative approach is the isolation of small vesicles, i.e. exosomes, similar to 100 nm, which contain proteins that are specific to the tissue from which they are derived and therefore can be considered as treasure chests for disease-specific biomarker discovery. Materials and Methods: Exosomes were isolated from 2 immortalized primary prostate epithelial cells (PNT2C2 and RWPE-1) and 2 PCa cell lines (PC346C and VCaP) by ultracentrifugation. After tryptic digestion, proteomic analyses utilized a nanoLC coupled with an LTQ-Orbitrap operated in tandem MS (MS/MS) mode. Accurate Mass and Time (AMT) tag approach was employed for peptide identification and quantitation. Candidate biomarkers were validated by Western blotting and Immunohistochemistry. Results: Proteomic characterization resulted in the identification of 248, 233, 169, and 216 proteins by at least 2 peptides in exosomes from PNT2C2, RWPE-1, PC346C, and VCaP, respectively. Statistical analyses revealed 52 proteins differently abundant between PCa and control cells, 9 of which were more abundant in PCa. Validation by Western blotting confirmed a higher abundance of FASN, XPO1 and PDCD6IP (ALIX) in PCa exosomes. Conclusions: Identification of exosomal proteins using high performance LC-FTMS resulted in the discovery of PDCD6IP, FASN, XPO1 and ENO1 as new candidate biomarkers for prostate cancer. C1 [Duijvesz, Diederick; Vredenbregt-van den Berg, Mirella S.; Jenster, Guido] Erasmus MC, Dept Urol, Rotterdam, Netherlands. [Burnum-Johnson, Kristin E.; Gritsenko, Marina A.] Pacific NW Natl Lab, Fundamental & Computat Sci Div, Richland, WA 99352 USA. [Hoogland, A. Marije] Erasmus MC, Dept Pathol, Rotterdam, Netherlands. [Willemsen, Rob] Erasmus MC, Dept Genet, Rotterdam, Netherlands. [Luider, Theo] Erasmus MC, Dept Neurol, Rotterdam, Netherlands. [Pasa-Tolic, Ljiljana] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Jenster, G (reprint author), Erasmus MC, Dept Urol, Rotterdam, Netherlands. EM g.jenster@erasmusmc.nl RI Burnum, Kristin/B-1308-2011 OI Burnum, Kristin/0000-0002-2722-4149 FU Department of Energy's Office of Biological and Environmental Research FX We would like to acknowledge Prof. Dr. N. Maitland from the University of York for kindly providing us with the PNT2C2 cell line. Proteomic analyses were performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 44 TC 42 Z9 42 U1 2 U2 28 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD DEC 31 PY 2013 VL 8 IS 12 AR e82589 DI 10.1371/journal.pone.0082589 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 284NF UT WOS:000329325200015 PM 24391718 ER PT J AU Leiding, J Woon, DE Dunning, TH AF Leiding, Jeff Woon, David E. Dunning, Thom H., Jr. TI Bonding in PF2Cl, PF3Cl, and PF4Cl: insight into isomerism and apicophilicity from ab initio calculations and the recoupled pair bonding model SO THEORETICAL CHEMISTRY ACCOUNTS LA English DT Article DE Muetterties' rule; Bent's rule; Apicophilicity; Pentavalent phosphorus; Phosphorus chlorofluorides; Hypervalency; Recoupled pair bond ID CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; D-ORBITAL PARTICIPATION; VB WAVE-FUNCTIONS; DIPOLE-MOMENT; ATOMS; PHOSPHORUS; ELEMENTS; 1ST-ROW; HYPERCONJUGATION AB Following previous work on PF (n) and SF (n) Cl compounds, we report high-level ab initio quantum chemical calculations on PF2Cl, PF3Cl, and PF4Cl. Coupled cluster (CCSD(T)) calculations were used to determine the structures and energetics of the various PF (n) Cl isomers, while generalized valence bond calculations were used to gain a deeper understanding of the factors influencing the structure and energetics of the isomers. Muetterties' rule, which predicts that more electronegative elements occupy the apical positions in pentavalent phosphorus compounds, is examined in the context of the recoupled pair bonding model, which provides invaluable insights into the bonding, structure, and reactivity of hypervalent compounds. While we found more electronegative fluorine is favored in the apical position in closed-shell PF4Cl, the opposite is true for PF3Cl and two triplet excited state isomers of PF2Cl, all of which are open-shell species. C1 [Leiding, Jeff] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Woon, David E.; Dunning, Thom H., Jr.] Univ Illinois, Dept Chem, CLSL, Urbana, IL 61801 USA. RP Leiding, J (reprint author), Los Alamos Natl Lab, POB 1663,MS B214, Los Alamos, NM 87545 USA. EM jal@lanl.gov; dewoon@illinois.edu; thdjr@illinois.edu FU Distinguished Chair for Research Excellence in Chemistry at the University of Illinois at Urbana-Champaign; National Science Foundation [TG-CHE100010] FX This work was supported by funding from the Distinguished Chair for Research Excellence in Chemistry at the University of Illinois at Urbana-Champaign. This research was supported in part by the National Science Foundation through TeraGrid resources by the National Center for Supercomputing Applications under Grant Number TG-CHE100010. This work was adapted from the first author's PhD dissertation, which is available at http://hdl.handle.net/2142/34409. NR 53 TC 2 Z9 2 U1 1 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1432-881X EI 1432-2234 J9 THEOR CHEM ACC JI Theor. Chem. Acc. PD DEC 31 PY 2013 VL 133 IS 2 DI 10.1007/s00214-013-1428-7 PG 9 WC Chemistry, Physical SC Chemistry GA 281RP UT WOS:000329119000001 ER PT J AU Bartelt, NC Nie, S Starodub, E Bernal-Villamil, I Gallego, S Vergara, L McCarty, KF de la Figuera, J AF Bartelt, Norman C. Nie, Shu Starodub, Elena Bernal-Villamil, Ivan Gallego, Silvia Vergara, Lucia McCarty, Kevin F. de la Figuera, Juan TI Order-disorder phase transition on the (100) surface of magnetite SO PHYSICAL REVIEW B LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; ENERGY-ELECTRON-DIFFRACTION; VERWEY TRANSITION; FE3O4(001); RECONSTRUCTION; FE3O4(100); GAS AB Using low-energy electron diffraction, we show that the room-temperature (root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly disorders at similar to 450 degrees C. Short-range order persists above the transition, suggesting that the transition is second order and Ising-like. We interpret the transition in terms of a model in which subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This model reproduces the structure of antiphase boundaries previously observed with scanning tunneling microscopy, as well as the continuous nature of the transition. To account for the observed transition temperature, the energy cost of each charge rearrangement is 82 meV. C1 [Bartelt, Norman C.; Nie, Shu; Starodub, Elena; McCarty, Kevin F.] Sandia Natl Labs, Livermore, CA 94550 USA. [Bernal-Villamil, Ivan; Gallego, Silvia] CSIC, Inst Ciencia Mat Madrid, E-28049 Madrid, Spain. [Vergara, Lucia; de la Figuera, Juan] CSIC, Inst Quim Fis Rocasolano, E-28006 Madrid, Spain. RP Bartelt, NC (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM bartelt@sandia.gov; juan.delafiguera@iqfr.csic.es RI de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012; OI de la Figuera, Juan/0000-0002-7014-4777; Gallego, Silvia/0000-0003-0915-3276 FU Office of Basic Energy Sciences, Division of Materials and Engineering Sciences, U. S. Department of Energy [DE-AC04-94AL85000]; government of Spain [MAT2009-14578-C03-01/03, MAT2012-38045-C04-01/04]; Spanish CSIC FX We thank Professor Gareth Parkinson for lending us a synthetic magnetite crystal and Dr. Mikel Sanz for providing the magnetite thin film. This research was supported by the Office of Basic Energy Sciences, Division of Materials and Engineering Sciences, U. S. Department of Energy under Contract No. DE-AC04-94AL85000 and by the government of Spain through Project No. MAT2009-14578-C03-01/03 and MAT2012-38045-C04-01/04. L. V. and I. B. thank the Spanish CSIC for support through a JAE-Doc contract. NR 37 TC 7 Z9 7 U1 0 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 30 PY 2013 VL 88 IS 23 AR 235436 DI 10.1103/PhysRevB.88.235436 PG 5 WC Physics, Condensed Matter SC Physics GA AC0CX UT WOS:000332163500007 ER PT J AU Marcano, N Algarabel, PA Fernandez, JR Magen, C Morellon, L Singh, NK Gschneidner, KA Pecharsky, VK Ibarra, MR AF Marcano, N. Algarabel, P. A. Rodriguez Fernandez, J. Magen, C. Morellon, L. Singh, Niraj K. Gschneidner, K. A., Jr. Pecharsky, V. K. Ibarra, M. R. TI Effects of pressure on the magnetic-structural and Griffiths-like transitions in Dy5Si3Ge SO PHYSICAL REVIEW B LA English DT Article ID PHASE; GD-5(SI1.8GE2.2); GD-5(SI2GE2); BEHAVIOR AB Magnetization studies have been performed on a polycrystalline sample of Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range. The anomalous behavior of the magnetic susceptibility indicates that a Griffiths-like phase exists at low magnetic fields and pressures up to 10 kbar. We present evidence that the high-temperature second-order ferromagnetic transition can be coupled with the low-temperature first-order crystallographic transformation into a single first-order magnetic-crystallographic transformation using a magnetic field and hydrostatic pressure as tuning parameters. The effect of pressure on the Griffiths-like phase is reported and analyzed in the framework of the complex competition between the interslab and intraslab magnetic interactions. C1 [Marcano, N.; Ibarra, M. R.] Ctr Univ Def, Zaragoza 50090, Spain. [Marcano, N.; Algarabel, P. A.] Univ Zaragoza, CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain. [Marcano, N.; Algarabel, P. A.; Magen, C.; Morellon, L.; Ibarra, M. R.] Univ Zaragoza, Dept Fis Mat Condensada, E-50009 Zaragoza, Spain. [Rodriguez Fernandez, J.] Univ Cantabria, Dept CITIMAC, E-39005 Santander, Spain. [Magen, C.; Morellon, L.; Ibarra, M. R.] Univ Zaragoza, Inst Nanociencia Aragon, Zaragoza 50018, Spain. [Magen, C.] Fdn ARAID, Zaragoza 50018, Spain. [Singh, Niraj K.; Gschneidner, K. A., Jr.; Pecharsky, V. K.] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. [Gschneidner, K. A., Jr.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Marcano, N (reprint author), Ctr Univ Def, Acad Gen Mil Crta Huesca S-N, Zaragoza 50090, Spain. RI Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010; Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014 OI Morellon, Luis/0000-0003-3724-508X; Marcano Aguado, Noelia/0000-0002-5331-9758; Algarabel, Pedro/0000-0002-4698-3378; Ibarra, Manuel Ricardo/0000-0003-0681-8260; FU Spanish Ministry of Science [MAT2011-27553-C02, MAT2011-27573-C04]; Spanish DGA [E26]; Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the Office of Science of the US Department of Energy; Iowa State University of Science and Technology for the US Department of Energy [DE-AC02-07CH11358] FX Work at the University of Zaragoza is supported by the Spanish Ministry of Science (MAT2011-27553-C02, MAT2011-27573-C04) and Spanish DGA (Grant No. E26). Work at the Ames Laboratory is supported by the Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the Office of Science of the US Department of Energy. Ames Laboratory is operated by Iowa State University of Science and Technology for the US Department of Energy under Contract No. DE-AC02-07CH11358. NR 30 TC 1 Z9 1 U1 1 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 30 PY 2013 VL 88 IS 21 AR 214429 DI 10.1103/PhysRevB.88.214429 PG 9 WC Physics, Condensed Matter SC Physics GA AC0CB UT WOS:000332161300004 ER PT J AU Wagner, MR Callsen, G Reparaz, JS Kirste, R Hoffmann, A Rodina, AV Schleife, A Bechstedt, F Phillips, MR AF Wagner, Markus R. Callsen, Gordon Reparaz, Juan S. Kirste, Ronny Hoffmann, Axel Rodina, Anna V. Schleife, Andre Bechstedt, Friedhelm Phillips, Matthew R. TI Effects of strain on the valence band structure and exciton-polariton energies in ZnO SO PHYSICAL REVIEW B LA English DT Article ID AUGMENTED-WAVE METHOD; AB-INITIO; 3-PHOTON SPECTROSCOPY; OSCILLATOR-STRENGTHS; HYDROSTATIC-PRESSURE; UNIAXIAL-STRESS; GREENS-FUNCTION; FINE-STRUCTURE; EDGE-EMISSION; BASIS-SET AB The uniaxial stress dependence of the band structure and the exciton-polariton transitions in wurtzite ZnO is thoroughly studied using modern first-principles calculations based on the HSE+ G(0)W(0) approach, k center dot p modeling using the deformation potential framework, and polarized photoluminescence measurements. The ordering of the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be robust even for high uniaxial and biaxial strains. Theoretical results for the uniaxial pressure coefficients and splitting rates of the A, B, and C valence bands and their optical transitions are obtained including the effects of the spin-orbit interaction. The excitonic deformation potentials are derived and the stress rates for hydrostatic pressure are determined based on the results for uniaxial and biaxial stress. In addition, the theory for the stress dependence of the exchange interaction and longitudinal-transversal splitting of the exciton polaritons is developed using the basic exciton functions of the quasicubic approximation and taking the interaction between all exciton states into account. It is shown that the consideration of these effects is crucial for an accurate description of the stress dependence of the optical spectra in ZnO. The theoretical results are compared to polarized photoluminescence measurements of different ZnO substrates as function of uniaxial pressure and experimental values reported in the literature demonstrating an excellent agreement with the computed pressure coefficients. C1 [Wagner, Markus R.; Callsen, Gordon; Reparaz, Juan S.; Kirste, Ronny; Hoffmann, Axel] Tech Univ Berlin, Inst Solid State Phys, D-10623 Berlin, Germany. [Wagner, Markus R.; Reparaz, Juan S.] ICN2 Inst Catala Nanociencia & Nanotecnol, Bellaterra 08193, Barcelona, Spain. [Kirste, Ronny] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [Rodina, Anna V.] AF Ioffe Phys Tech Inst, St Petersburg 194021, Russia. [Schleife, Andre] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. [Schleife, Andre; Bechstedt, Friedhelm] Univ Jena, Inst Festkorpertheorie & Opt, D-07743 Jena, Germany. [Schleife, Andre; Bechstedt, Friedhelm] Univ Technol Sydney, European Theoret Spect Facil, Sydney, NSW 2007, Australia. [Phillips, Matthew R.] Univ Technol Sydney, Dept Phys & Adv Mat, Sydney, NSW 2007, Australia. RP Wagner, MR (reprint author), Tech Univ Berlin, Inst Solid State Phys, D-10623 Berlin, Germany. EM markus.wagner@tu-berlin.de; a.schleife@llnl.gov RI Wagner, Markus/A-3582-2009; Reparaz, Juan Sebastian/E-8274-2011; OI Wagner, Markus/0000-0002-7367-5629; Phillips, matthew/0000-0003-1522-9281 FU European Community's Seventh Framework Program [211956]; Deutsche Forschungsgemeinschaft [Be1346/20-1]; Russian Foundation for Basic Research [13-02-00888-a]; Swiss National Science Foundation; DFG within SFB 787; UniCat; US Department of Energy at Lawrence Livermore National Laboratory [DE-AC52-07A27344] FX The research presented here received funding from the European Community's Seventh Framework Program (FP7/2007-2013) under grant agreement No. 211956 and from the Deutsche Forschungsgemeinschaft (Project No. Be1346/20-1). A.V.R. acknowledges support of the Russian Foundation for Basic Research (Grant No. 13-02-00888-a) and the support received from the Swiss National Science Foundation. A.S. thanks the Carl-Zeiss-Stiftung for support. We acknowledge grants of computer time from the HLRS Stuttgart and the LRZ Munich. Support from the DFG within SFB 787 and the cluster of excellence "UniCat" is acknowledged. Part of this work was performed under the auspices of the US Department of Energy at Lawrence Livermore National Laboratory under Contract DE-AC52-07A27344. NR 77 TC 14 Z9 14 U1 5 U2 63 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 30 PY 2013 VL 88 IS 23 AR 235210 DI 10.1103/PhysRevB.88.235210 PG 15 WC Physics, Condensed Matter SC Physics GA AC0CX UT WOS:000332163500004 ER PT J AU Zhang, WT Smallwood, CL Jozwiak, C Miller, TL Yoshida, Y Eisaki, H Lee, DH Lanzara, A AF Zhang, Wentao Smallwood, Christopher L. Jozwiak, Chris Miller, Tristan L. Yoshida, Yoshiyuki Eisaki, Hiroshi Lee, Dung-Hai Lanzara, Alessandra TI Signatures of superconductivity and pseudogap formation in nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved photoemission SO PHYSICAL REVIEW B LA English DT Article ID DOPING DEPENDENCE; PAIR FORMATION; BI2SR2CACU2O8+DELTA; TEMPERATURE; COMPETITION; BEHAVIOR; SPECTRA; BI AB We use time- and angle-resolved photoemission to measure the nodal nonequilibrium electronic states in various dopings of Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient signal of these ungapped states is strongly affected by the onset of the superconducting gap at T-c, superconducting pairing fluctuations at T-p, and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in the fluence-dependent transient signal, with the appearance of a critical fluence below T-p that corresponds to the energy required to break apart all Cooper pairs. These results challenge the notion of a nodal-antinodal dichotomy in cuprate superconductors by establishing a link between nodal quasiparticles and the cuprate phase diagram. C1 [Zhang, Wentao; Smallwood, Christopher L.; Miller, Tristan L.; Lanzara, Alessandra] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Smallwood, Christopher L.; Miller, Tristan L.; Lee, Dung-Hai; Lanzara, Alessandra] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Jozwiak, Chris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Yoshida, Yoshiyuki; Eisaki, Hiroshi] Natl Inst Adv Ind Sci & Technol, Elect & Photon Res Inst, Tsukuba, Ibaraki 3058568, Japan. RP Zhang, WT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM alanzara@lbl.gov RI ZHANG, Wentao/B-3626-2011; Smallwood, Christopher/D-4925-2011 OI Smallwood, Christopher/0000-0002-4103-8748 FU Berkeley Lab's program on Quantum Materials; US Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-05CH11231] FX We thank J. Orenstein, S. Kivelson, and P. Phillips for useful discussions, and J. S. Wen, J. Zhao, and R. J. Birgeneau for SQUID measurements. This work was supported by Berkeley Lab's program on Quantum Materials, funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231. NR 41 TC 14 Z9 14 U1 2 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD DEC 30 PY 2013 VL 88 IS 24 AR 245132 DI 10.1103/PhysRevB.88.245132 PG 6 WC Physics, Condensed Matter SC Physics GA AC0DJ UT WOS:000332164700007 ER PT J AU Wu, QL Ha, S Prakash, J Dees, DW Lu, WQ AF Wu, Qingliu Ha, Seonbaek Prakash, Jai Dees, Dennis W. Lu, Wenquan TI Investigations on high energy lithium-ion batteries with aqueous binder SO ELECTROCHIMICA ACTA LA English DT Article DE Aqueous binder; Lithium manganese rich composite; Lithium-ion battery ID WATER-SOLUBLE BINDER; COMPOSITE CATHODE; SULFUR CATHODE; ELECTRODES; ANODES; CAPACITY AB An aqueous binder, fluorine acrylic hybrid latex (TRD 202A), is utilized as the binder to fabricate a cathode electrode using a lithium manganese rich composite (LMR-NMC) as the active material. The derived Li/LMR-NMC half cells have advantages of more than 240 mAh/g specific capacity and low impedance of less than 50 Omega cm(2). Differential Scanning Calorimeter (DSC) results indicate that the electrode with aqueous binder shows improved thermal stability compared with polyvinylidene difluoride (PVDF). Furthermore, the cathode electrode with aqueous binder is tested against the graphite electrodes with another aqueous binder, Styrene-Butadiene Rubber (SBR). The evaluation results of graphite/LMR-NMC full cells show that full cells with aqueous binders in both anodes and cathodes inherit almost all advantages of Li/LMR-NMC half cells, except the long cycle life. (C) 2013 Published by Elsevier Ltd. C1 [Wu, Qingliu; Dees, Dennis W.; Lu, Wenquan] Argonne Natl Lab, Electrochem Energy Storage Chem Sci & Engn Div, Argonne, IL 60439 USA. [Ha, Seonbaek; Prakash, Jai] IIT, Ctr Electrochem Sci & Engn, Dept Chem & Biol Engn, Chicago, IL 60616 USA. RP Lu, WQ (reprint author), Argonne Natl Lab, Electrochem Energy Storage Chem Sci & Engn Div, 9700 South Cass Ave,Bldg 205, Argonne, IL 60439 USA. EM luw@anl.gov FU U. S. Department of Energy Office of Science Laboratory by UChicago Argonne, LLC [DE-AC02-06CH11357] FX Support from David Howell and Peter Faguy of the U.S. Department of Energy's Office of Vehicle Technologies Program is gratefully acknowledged. The Electrodes with PVDF binder were made at Cell Analysis, Modeling, and Prototyping (CAMP) Facility at ANL. The authors thank JSR Corp. for aqueous binders supply and valuable technical discussions. The authors also gratefully thank Dr. Dengyun Zhai for valuable assistance on SEM. The electron microscopy was accomplished at the Electron Microscopy Center for Materials Research at Argonne National Laboratory, a U. S. Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. NR 28 TC 7 Z9 8 U1 14 U2 125 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD DEC 30 PY 2013 VL 114 BP 1 EP 6 DI 10.1016/j.electacta.2013.09.068 PG 6 WC Electrochemistry SC Electrochemistry GA 300TV UT WOS:000330487800001 ER PT J AU Baryshev, SV Becker, NG Zinovev, AV Tripa, CE Veryovkin, IV AF Baryshev, S. V. Becker, N. G. Zinovev, A. V. Tripa, C. E. Veryovkin, I. V. TI Dual-beam versus single-beam depth profiling: Same sample in same instrument SO RAPID COMMUNICATIONS IN MASS SPECTROMETRY LA English DT Letter ID QUANTITATIVE SURFACE-ANALYSIS; MASS-SPECTROMETER; ION OPTICS; SIMS; RESOLUTION; SILICON C1 [Baryshev, S. V.; Becker, N. G.; Zinovev, A. V.; Tripa, C. E.; Veryovkin, I. V.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Becker, N. G.] IIT, Dept Phys, Chicago, IL 60616 USA. RP Baryshev, SV (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sergey.v.baryshev@gmail.com NR 15 TC 2 Z9 2 U1 2 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0951-4198 EI 1097-0231 J9 RAPID COMMUN MASS SP JI Rapid Commun. Mass Spectrom. PD DEC 30 PY 2013 VL 27 IS 24 BP 2828 EP 2832 DI 10.1002/rcm.6749 PG 5 WC Biochemical Research Methods; Chemistry, Analytical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA 295HQ UT WOS:000330107600014 PM 24214870 ER PT J AU Desrosiers, M DeWerd, L Deye, J Lindsay, P Murphy, MK Mitch, M Macchiarini, F Stojadinovic, S Stone, H AF Desrosiers, Marc DeWerd, Larry Deye, James Lindsay, Patricia Murphy, Mark K. Mitch, Michael Macchiarini, Francesca Stojadinovic, Strahinja Stone, Helen TI The Importance of Dosimetry Standardization in Radiobiology SO JOURNAL OF RESEARCH OF THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY LA English DT Article DE dosimetry; dosimetry protocols; dosimetry standards; radiobiology; radiobiology protocols; radiobiology standards ID RADIOTHERAPY; PROTOCOL; PHOTON; ENERGY AB Radiation dose is central to much of radiobiological research. Precision and accuracy of dose measurements and reporting of the measurement details should be sufficient to allow the work to be interpreted and repeated and to allow valid comparisons to be made, both in the same laboratory and by other laboratories. Despite this, a careful reading of published manuscripts suggests that measurement and reporting of radiation dosimetry and setup for radiobiology research is frequently inadequate, thus undermining the reliability and reproducibility of the findings. To address these problems and propose a course of action, the National Cancer Institute (NCI), the National Institute of Allergy and Infectious Diseases (NIAID), and the National Institute of Standards and Technology (NIST) brought together representatives of the radiobiology and radiation physics communities in a workshop in September, 2011. The workshop participants arrived at a number of specific recommendations as enumerated in this paper and they expressed the desirability of creating dosimetry standard operating procedures (SOPs) for cell culture and for small and large animal experiments. It was also felt that these SOPs would be most useful if they are made widely available through mechanism(s) such as the web, where they can provide guidance to both radiobiologists and radiation physicists, be cited in publications, and be updated as the field and needs evolve. Other broad areas covered were the need for continuing education through tutorials at national conferences, and for journals to establish standards for reporting dosimetry. This workshop did not address issues of dosimetry for studies involving radiation focused at the sub-cellular level, internally-administered radionuclides, biodosimetry based on biological markers of radiation exposure, or dose reconstruction for epidemiological studies. C1 [Desrosiers, Marc; Mitch, Michael] NIST, Gaithersburg, MD 20899 USA. [DeWerd, Larry] Univ Wisconsin, Sch Med & Publ Hlth, Madison, WI USA. [Deye, James; Stone, Helen] NCI, NIH, Bethesda, MD 20892 USA. [Lindsay, Patricia] Univ Toronto, Princess Margaret Hosp, Toronto, ON, Canada. [Murphy, Mark K.] Battelle Pacific Northwest Natl Lab, Richland, WA USA. [Macchiarini, Francesca] Natl Inst Allergy & Infect Dis, NIH, Bethesda, MD USA. [Stojadinovic, Strahinja] Univ Texas SW Med Ctr Dallas, Dallas, TX 75390 USA. RP Desrosiers, M (reprint author), NIST, Gaithersburg, MD 20899 USA. EM marc.desrosiers@nist.gov; ladewerd@facstaff.wisc.edu; deyej@mail.nih.gov; Patricia.Lindsay@rmp.uhn.on.ca; michael.mitch@nist.gov; michael.mitch@nist.gov; fmacchiarini@niaid.nih.gov; Strahinja.Stojadinovic@UTSouthwestern.edu; stoneh@mail.nih.gov NR 16 TC 7 Z9 7 U1 1 U2 7 PU US GOVERNMENT PRINTING OFFICE PI WASHINGTON PA SUPERINTENDENT DOCUMENTS,, WASHINGTON, DC 20402-9325 USA SN 1044-677X J9 J RES NATL INST STAN JI J. Res. Natl. Inst. Stand. Technol. PD DEC 30 PY 2013 VL 118 DI 10.6028/jres.118.021 PG 16 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 289TC UT WOS:000329704000001 PM 26401441 ER PT J AU Fisher, K Barron, SC Bonds, MA Knepper, R Livi, KJT Campbell, GH Browning, ND Weihs, TP AF Fisher, Kaitlynn Barron, S. C. Bonds, M. A. Knepper, R. Livi, K. J. T. Campbell, G. H. Browning, N. D. Weihs, T. P. TI Phase transformations, heat evolution, and atomic diffusion during slow heating of Al-rich Al/Zr multilayered foils SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID DIFFERENTIAL SCANNING CALORIMETRY; SOLID-STATE REACTION; TRANSMISSION ELECTRON-MICROSCOPY; THIN-FILMS; COMBUSTION SYNTHESIS; EXOTHERMIC REACTIONS; MEASURING ENTHALPIES; AMORPHOUS NIZR; ZR ALLOYS; AL/NI AB We describe the energy and sequence of phase transformations in multilayered Al/Zr foils with atomic ratios of 3 Al:1 Zr during low temperature (<350 degrees C) heat treatments in a differential scanning calorimeter. The initial phase formed is an Al-rich amorphous phase that appears to grow by Zr diffusion through the amorphous phase. The subsequent nucleation and growth of tetragonal Al3Zr along the Al/amorphous layer interface is mediated by Al diffusion through the crystalline intermetallic phase. Diffusion coefficients associated with these processes are higher than expected from reports of diffusivities measured at higher temperatures. The inferred heat of formation of the tetragonal Al3Zr phase is 1240 +/- 40 J/g (5362 kJ/mol atom). No anomalous variation in the energy or sequence of phase transformations is found with bilayer thickness for samples with bilayer thickness in the range of 17 nm to 90 nm despite anomalies in the bilayer dependence of self-propagating reaction velocities in the same foils. (C) 2013 AIP Publishing LLC. C1 [Fisher, Kaitlynn; Barron, S. C.; Knepper, R.; Weihs, T. P.] Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. [Bonds, M. A.; Browning, N. D.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Bonds, M. A.; Campbell, G. H.; Browning, N. D.] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. [Livi, K. J. T.] Johns Hopkins Univ, Integrated Imaging Ctr, High Resolut Analyt Electron Microbeam Facil, Baltimore, MD 21218 USA. RP Weihs, TP (reprint author), Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. EM weihs@jhu.edu RI Weihs, Timothy/A-3313-2010 OI Browning, Nigel/0000-0003-0491-251X; FU U. S. Office of Naval Research [N00014-07-1-0740]; US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; DOE by LLNL [DE-AC52-07NA27344]; U.S. DOE NNSA-SSAA [DE-FG52-06NA26213] FX S.C.B., R. K., and T. P. W. acknowledge the financial support of the U. S. Office of Naval Research (Grant No. N00014-07-1-0740) during material fabrication and calorimetry studies at JHU. Work of M. A. B., N.D.B., and G. H. C. at the Lawrence Livermore National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, and performed under the auspices of the DOE by LLNL under Contract DE-AC52-07NA27344. Work at UC-Davis was supported by the U.S. DOE NNSA-SSAA under Grant DE-FG52-06NA26213. NR 58 TC 2 Z9 2 U1 5 U2 41 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD DEC 28 PY 2013 VL 114 IS 24 AR 243509 DI 10.1063/1.4850915 PG 11 WC Physics, Applied SC Physics GA 282LO UT WOS:000329173200017 ER PT J AU Kovacs, A Ney, A Duchamp, M Ney, V Boothroyd, CB Galindo, PL Kaspar, TC Chambers, SA Dunin-Borkowski, RE AF Kovacs, A. Ney, A. Duchamp, M. Ney, V. Boothroyd, C. B. Galindo, P. L. Kaspar, T. C. Chambers, S. A. Dunin-Borkowski, R. E. TI Defects in paramagnetic Co-doped ZnO films studied by transmission electron microscopy SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID DILUTE MAGNETIC SEMICONDUCTORS; STRAIN FIELDS; OXIDES; SPECTROSCOPY; DISLOCATIONS; STATE; GAN AB We study planar defects in epitaxial Co:ZnO dilute magnetic semiconductor thin films deposited on c-plane sapphire (Al2O3), as well as the Co:ZnO/Al2O3 interface, using aberration-corrected transmission electron microscopy and electron energy-loss spectroscopy. Co: ZnO samples that were deposited using pulsed laser deposition and reactive magnetron sputtering are both found to contain extrinsic stacking faults, incoherent interface structures, and compositional variations within the first 3-4 Co: ZnO layers next to the Al2O3 substrate. The stacking fault density is in the range of 10(17) cm(-3). We also measure the local lattice distortions around the stacking faults. It is shown that despite the relatively high density of planar defects, lattice distortions, and small compositional variation, the Co: ZnO films retain paramagnetic properties. (C) 2013 AIP Publishing LLC. C1 [Kovacs, A.; Duchamp, M.; Boothroyd, C. B.; Dunin-Borkowski, R. E.] Forschungszentrum Julich, Ernst Ruska Ctr Microscopy & Spect Electrons, D-52425 Julich, Germany. [Kovacs, A.; Duchamp, M.; Boothroyd, C. B.; Dunin-Borkowski, R. E.] Forschungszentrum Julich, Peter Grunberg Inst, D-52425 Julich, Germany. [Ney, A.; Ney, V.] Johannes Kepler Univ Linz, Inst Halbleiter & Festkorperphys, A-4040 Linz, Austria. [Galindo, P. L.] Univ Cadiz, Dept Ingn Informat, Cadiz 11510, Spain. [Kaspar, T. C.; Chambers, S. A.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99354 USA. RP Kovacs, A (reprint author), Forschungszentrum Julich, Ernst Ruska Ctr Microscopy & Spect Electrons, D-52425 Julich, Germany. EM a.kovacs@fz-juelich.de RI Kovacs, Andras/K-3360-2013; Dunin-Borkowski, Rafal/G-5597-2012; GALINDO, PEDRO/L-6183-2014; Duchamp, Martial/C-5160-2011; Ney, Verena/N-9480-2016; OI Kovacs, Andras/0000-0001-8485-991X; Dunin-Borkowski, Rafal/0000-0001-8082-0647; GALINDO, PEDRO/0000-0003-0892-8113; Duchamp, Martial/0000-0003-2105-3059; Ney, Verena/0000-0001-9413-8649; Ney, Andreas/0000-0002-2388-6006 FU U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; U.S. DOE's Office of Biological and Environmental Research at the Pacific Northwest National Laboratory (PNNL); European Union [312483 - ESTEEM2] FX The authors would like to thank D. Meertens (Forschungszentrum Julich, PGI-5) for the preparation of FIB lamellas, and M. Luysberg, L. Houben (Forschungszentrum Julich, PGI-5), I. Maclaren (University of Glasgow), and M. S. Moreno (Bariloche, Argentina) for useful comments related to this study. T. C. K. and S. A. C. were supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Film growth by PLD was performed using EMSL, a national scientific user facility sponsored by the U.S. DOE's Office of Biological and Environmental Research, located at the Pacific Northwest National Laboratory (PNNL). M. D. acknowledges financial support from the European Union under a contract for an Integrated Infrastructure Initiative 312483 - ESTEEM2. NR 29 TC 3 Z9 3 U1 0 U2 42 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD DEC 28 PY 2013 VL 114 IS 24 AR 243503 DI 10.1063/1.4851015 PG 6 WC Physics, Applied SC Physics GA 282LO UT WOS:000329173200011 ER PT J AU Sefta, F Juslin, N Wirth, BD AF Sefta, Faiza Juslin, Niklas Wirth, Brian D. TI Helium bubble bursting in tungsten SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TRANSITION-METALS; LOW-ENERGY; IRRADIATION; PLASMA AB Molecular dynamics simulations have been used to systematically study the pressure evolution and bursting behavior of sub-surface helium bubbles and the resulting tungsten surface morphology. This study specifically investigates how bubble shape and size, temperature, tungsten surface orientation, and ligament thickness above the bubble influence bubble stability and surface evolution. The tungsten surface is roughened by a combination of adatom "islands," craters, and pinholes. The present study provides insight into the mechanisms and conditions leading to various tungsten topology changes, which we believe are the initial stages of surface evolution leading to the formation of nanoscale fuzz. (C) 2013 AIP Publishing LLC. C1 [Sefta, Faiza] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Juslin, Niklas] Univ Tennessee, Knoxville, TN 37996 USA. [Wirth, Brian D.] Univ Tennessee, Oak Ridge Natl Lab, Knoxville, TN 37996 USA. RP Wirth, BD (reprint author), Univ Tennessee, Oak Ridge Natl Lab, Knoxville, TN 37996 USA. EM bdwirth@utk.edu RI Wirth, Brian/O-4878-2015 OI Wirth, Brian/0000-0002-0395-0285 FU United States Department of Energy, office of Fusion Energy Sciences [DE-SC00-02060]; Scientific Discovery through Advanced Computing program on Plasma Surface Interactions; U.S. Department of Energy, office of Science, Advanced Scientific Computing Research and Fusion Energy Science; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors thank Dr. K. D. Hammond and Dr. J. Marian for useful comments on the manuscript, in addition to collaborative interactions with the PSI Plasma Science Center and the PSI SciDAC project. We are grateful to the United States Department of Energy, office of Fusion Energy Sciences for financial support of the PSI Science Center through Grant No. DE-SC00-02060, and partial support from the Scientific Discovery through Advanced Computing program on Plasma Surface Interactions funded by U.S. Department of Energy, office of Science, Advanced Scientific Computing Research and Fusion Energy Science. 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 24 TC 29 Z9 29 U1 5 U2 31 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD DEC 28 PY 2013 VL 114 IS 24 AR 243518 DI 10.1063/1.4860315 PG 9 WC Physics, Applied SC Physics GA 282LO UT WOS:000329173200026 ER PT J AU Bagus, PS Nelin, CJ Ilton, ES AF Bagus, Paul S. Nelin, Connie J. Ilton, Eugene S. TI Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID RAY PHOTOEMISSION SPECTRA; CORE-LEVEL SPECTROSCOPY; PHOTOELECTRON-SPECTROSCOPY; BACKGROUND SUBTRACTION; MOLECULAR NITROGEN; GENERAL BEHAVIOR; OXIDATION-STATES; ADSORPTION; SATELLITES; REDUCTION AB A rigorous study is presented of the physical processes related to X-Ray photoelectron spectroscopy, XPS, in the 4f level of U oxides, which, as well as being of physical interest in themselves, are representative of XPS in heavy metal oxides. In particular, we present compelling evidence for a new view of the screening of core-holes that extends prior understandings. Our analysis of the screening focuses on the covalent mixing of high lying U and O orbitals as opposed to the, more common, use of orbitals that are nominally pure U or pure O. It is shown that this covalent mixing is quite different for the initial and final, core-hole, configurations and that this difference is directly related to the XPS satellite intensity. Furthermore, we show that the high-lying U d orbitals as well as the U(5f) orbital may both contribute to the core-hole screening, in contrast with previous work that has only considered screening through the U(5f) shell. The role of modifying the U-O interaction by changing the U-O distance has been investigated and an unexpected correlation between U-O distance and XPS satellite intensity has been discovered. The role of flourite and octahedral crystal structures for U(IV) oxides has been examined and relationships established between XPS features and the covalent interactions in the different structures. The physical views of XPS satellites as arising from shake processes or as arising from ligand to metal charge transfers are contrasted; our analysis provides strong support that shake processes give a more fundamental physical understanding than charge transfer. Our theoretical studies are based on rigorous, strictly ab initio determinations of the electronic structure of embedded cluster models of U oxides with formal U(VI) and U(IV) oxidation states. Our results provide a foundation that makes it possible to establish quantitative relationships between features of the XPS spectra and materials properties. (C) 2013 AIP Publishing LLC. C1 [Bagus, Paul S.] Univ N Texas, Dept Chem, Denton, TX 76203 USA. [Nelin, Connie J.] Consulting & Serv, Austin, TX 78730 USA. [Ilton, Eugene S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bagus, PS (reprint author), Univ N Texas, Dept Chem, Denton, TX 76203 USA. RI Bagus, Paul/M-1273-2015 FU Geosciences Research Program in the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; [DE-FG02-04ER15508] FX This work was supported by the Geosciences Research Program in the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. The support for P.S.B. is through Grant No. DE-FG02-04ER15508. NR 51 TC 9 Z9 9 U1 5 U2 43 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD DEC 28 PY 2013 VL 139 IS 24 AR 244704 DI 10.1063/1.4846135 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 282RZ UT WOS:000329191800036 PM 24387385 ER PT J AU Li, WL Hu, HS Jian, T Lopez, GV Su, J Li, J Wang, LS AF Li, Wei-Li Hu, Han-Shi Jian, Tian Lopez, Gary V. Su, Jing Li, Jun Wang, Lai-Sheng TI Probing the electronic structures of low oxidation-state uranium fluoride molecules UFx- (x=2-4) SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID EFFECTIVE CORE POTENTIALS; DENSITY-FUNCTIONAL INVESTIGATIONS; PHOTOELECTRON-SPECTROSCOPY; VIBRATIONAL FREQUENCIES; ACTINIDE COMPOUNDS; ARGON MATRICES; GASEOUS UF5; GAS-PHASE; AB-INITIO; THERMOCHEMISTRY AB We report the experimental observation of gaseous UFx- (x = 2-4) anions, which are investigated using photoelectron spectroscopy and relativistic quantum chemistry. Vibrationally resolved photoelectron spectra are obtained for all three species and the electron affinities of UFx (x = 2-4) are measured to be 1.16(3), 1.09(3), and 1.58(3) eV, respectively. Significant multi-electron transitions are observed in the photoelectron spectra of U(5f(3)7s(2)) F-2(-), as a result of strong electron correlation effects of the two 7s electrons. The U-F symmetric stretching vibrational modes are resolved for the ground states of all UFx (x = 2-4) neutrals. Theoretical calculations are performed to qualitatively understand the photoelectron spectra. The entire UFx- and UFx (x = 1-6) series are considered theoretically to examine the trends of U-F bonding and the electron affinities as a function of fluorine coordination. The increased U-F bond lengths and decreased bond orders from UF2- to UF4- indicate that the U-F bonding becomes weaker as the oxidation state of U increases from I to III. (C) 2013 AIP Publishing LLC. C1 [Li, Wei-Li; Jian, Tian; Lopez, Gary V.; Wang, Lai-Sheng] Brown Univ, Dept Chem, Providence, RI 02912 USA. [Hu, Han-Shi; Su, Jing; Li, Jun] Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China. [Hu, Han-Shi; Su, Jing; Li, Jun] Tsinghua Univ, Minist Educ, Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China. [Hu, Han-Shi; Li, Jun] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Li, WL (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA. EM junli@tsinghua.edu.cn; lai-sheng_wang@brown.edu RI Li, Weili/C-1318-2014; Li, Jun/E-5334-2011 OI Li, Weili/0000-0003-1674-631X; Li, Jun/0000-0002-8456-3980 FU U.S. Department of Energy, Office of Basics Energy Sciences [DE-FG02-11ER16261]; NSFC of China [20933003, 91026003, 21201106]; US Department of Energy's Office of Biological and Environmental Research FX This work was supported by the U.S. Department of Energy, Office of Basics Energy Sciences under Grant No. DE-FG02-11ER16261 (W.L.L., T.J., G.V.L., and L.S.W.). The theoretical work was supported by NSFC (20933003, 91026003, 21201106) of China (H.S.H., J.S., and J.L.). The calculations were performed using the Tsinghua National Laboratory for Information Science and Technology. A portion of the calculations was performed using EMSL, a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory, USA. NR 74 TC 7 Z9 7 U1 1 U2 21 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD DEC 28 PY 2013 VL 139 IS 24 AR 244303 DI 10.1063/1.4851475 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 282RZ UT WOS:000329191800017 PM 24387366 ER PT J AU Spencer, EC Huang, BY Parker, SF Kolesnikov, AI Ross, NL Woodfield, BF AF Spencer, Elinor C. Huang, Baiyu Parker, Stewart F. Kolesnikov, Alexander I. Ross, Nancy L. Woodfield, Brian F. TI The thermodynamic properties of hydrated gamma-Al2O3 nanoparticles SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MESOPOROUS GAMMA-ALUMINA; SURFACE-ENERGY; WATER-ADSORPTION; CARBON-MONOXIDE; HEAT-CAPACITIES; PHASE-STABILITY; PORE-SIZE; OXIDATION; TEMPERATURE; ENERGETICS AB In this paper we report a combined calorimetric and inelastic neutron scattering (INS) study of hydrated gamma-Al2O3 (gamma-alumina) nanoparticles. These complementary techniques have enabled a comprehensive evaluation of the thermodynamic properties of this technological and industrially important metal oxide to be achieved. The isobaric heat capacity (C-p) data presented herein provide further critical insights into the much-debated chemical composition of gamma-alumina nanoparticles. Furthermore, the isochoric heat capacity (C-v) of the surface water, which is so essential to the stability of all metal-oxides at the nanoscale, has been extracted from the high-resolution INS data and differs significantly from that of ice-Ih due to the dominating influence of strong surface-water interactions. This study also encompassed the analysis of four gamma-alumina samples with differing pore diameters [4.5 (1), 13.8 (2), 17.9 (3), and 27.2 nm (4)], and the results obtained allow us to unambiguously conclude that the water content and pore size have no influence on the thermodynamic behaviour of hydrated gamma-alumina nanoparticles. (C) 2013 AIP Publishing LLC. C1 [Spencer, Elinor C.; Ross, Nancy L.] Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. [Huang, Baiyu; Woodfield, Brian F.] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. [Parker, Stewart F.] STFC Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. [Kolesnikov, Alexander I.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. RP Spencer, EC (reprint author), Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. RI Kolesnikov, Alexander/I-9015-2012; Huang, Baiyu/N-2739-2016 OI Kolesnikov, Alexander/0000-0003-1940-4649; Huang, Baiyu/0000-0001-9472-2765 FU U.S. Department of Energy, Office of Basic Energy Sciences (DOE-BES) [DE FG03 01ER15237]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX N.L.R and E.C.S acknowledge support from the U.S. Department of Energy, Office of Basic Energy Sciences (DOE-BES), Grant No. DE FG03 01ER15237. The STFC Rutherford Appleton Laboratory is thanked for access to neutron beam facilities. The INS experiment at the Oak Ridge National Laboratory's Spallation Neutron Source is supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 62 TC 6 Z9 6 U1 3 U2 27 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD DEC 28 PY 2013 VL 139 IS 24 AR 244705 DI 10.1063/1.4850636 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 282RZ UT WOS:000329191800037 PM 24387386 ER PT J AU Csanak, G Inal, MK Fontes, CJ Kilcrease, DP AF Csanak, G. Inal, M. K. Fontes, C. J. Kilcrease, D. P. TI The creation, destruction, and transfer of multipole moments in electron- and proton-impact ionization of atoms and ions SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID INNER-SHELL IONIZATION; CHARACTERISTIC X-RADIATION; LASER-EXCITED ATOMS; ANGULAR-DISTRIBUTION; AUGER ELECTRONS; COULOMB SCATTERING; CROSS-SECTIONS; METASTABLE STATE; GROUND-STATE; POLARIZATION AB Expanding on previous works that involved elastic and inelastic scattering of electrons by atoms and ions, we use the wave-packet propagation scheme of Dollard to define multipole moment creation, destruction and transfer cross sections for electron- and proton-impact ionization of atoms and ions. The electron-impact cross sections can then be used by defining appropriate rate coefficients for use in Fujimoto's population-alignment collisional-radiative model for cylindrically symmetric plasmas. Our result for the alignment creation cross section is in agreement with those formulae that were obtained earlier intuitively or by semi-classical collisional methods. The multipole cross sections obtained here can be used also for modelling the relaxation behaviour of laser-excited plasmas under cylindrical symmetry conditions. We have also derived the electron- and proton-impact ionization multipole cross sections in terms of Liouville-space quantities, which then enabled us by using group theoretical methods to obtain the azimuthal-angle dependence of the multipole cross sections and symmetry properties that are results of reflection across a plane over the collisional axis. C1 [Csanak, G.; Kilcrease, D. P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Inal, M. K.] A Belkaid Univ, Dept Phys, Tilimsen 13000, Algeria. [Fontes, C. J.] Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA. RP Csanak, G (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM cjf@lanl.gov OI Kilcrease, David/0000-0002-2319-5934 FU National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory; DGRSDT, Algerian Ministry of Higher Education and Research [PNR-08/43/36/2011/ATRST]; [DE-AC52-06NA25396] FX This work was carried out in part under the auspices of the National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory and supported by contract no DE-AC52-06NA25396. One of us (MKI) gratefully acknowledges support from DGRSDT, Algerian Ministry of Higher Education and Research (PNR-08/43/36/2011/ATRST). NR 68 TC 4 Z9 4 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 EI 1361-6455 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD DEC 28 PY 2013 VL 46 IS 24 AR 245202 DI 10.1088/0953-4075/46/24/245202 PG 12 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 269XA UT WOS:000328275700010 ER PT J AU Liu, Y Gottwald, T Havener, CC Mattolat, C Vane, CR Wendt, K AF Liu, Y. Gottwald, T. Havener, C. C. Mattolat, C. Vane, C. R. Wendt, K. TI Resonant three-photon ionization spectroscopy of atomic Fe SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID LASER ION-SOURCE; SOLAR FOURIER-TRANSFORM; HIGHLY-EXCITED LEVELS; PHOTOIONIZATION SPECTROSCOPY; MASS-SPECTROMETRY; GRATING SPECTRA; RYDBERG LEVELS; ENERGY-LEVELS; NEUTRAL IRON; GE AB Laser spectroscopic investigations on high-lying states around the ionization potential (IP) in the atomic spectrum of Fe have been carried out for the development of a practical three-step resonance ionization scheme accessible by Ti: sapphire lasers. A hot cavity laser ion source, typically used at on-line radioactive ion beam production facilities, was employed in this work. Ionization schemes employing high-lying Rydberg and autoionizing states populated by three-photon excitations were established. Five new Rydberg and autoionizing Rydberg series converging to the ground and to the first four excited states of Fe II are reported. Analyses of the Rydberg series yield the value 63 737.686 +/- 0.068 cm(-1) for the ionization potential of iron. C1 [Liu, Y.; Havener, C. C.; Vane, C. R.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Gottwald, T.; Mattolat, C.; Wendt, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55128 Mainz, Germany. RP Liu, Y (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM liuy@ornl.gov FU US Department of Energy, Office of Nuclear Physics [DE-AC05-00OR22725]; UT-Battelle, LLC; German Bundesministerium fur Bildung und Forschung [06MZ215] FX This work is supported by the US Department of Energy, Office of Nuclear Physics, under contract number DE-AC05-00OR22725 with UT-Battelle, LLC and the German Bundesministerium fur Bildung und Forschung under Grant 06MZ215. NR 40 TC 0 Z9 0 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 EI 1361-6455 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD DEC 28 PY 2013 VL 46 IS 24 AR 245003 DI 10.1088/0953-4075/46/24/245003 PG 9 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 269XA UT WOS:000328275700004 ER PT J AU Hufnagel, TC Vempati, UK Almer, JD AF Hufnagel, Todd C. Vempati, Uday K. Almer, Jonathan D. TI Crack-Tip Strain Field Mapping and the Toughness of Metallic Glasses SO PLOS ONE LA English DT Article ID FRACTURE MORPHOLOGY; BEHAVIOR; DUCTILE; DEFORMATION; BRITTLENESS; PLASTICITY; MECHANISM AB We have used high-energy x-ray scattering to map the strain fields around crack tips in fracture specimens of a bulk metallic glass under load at room temperature and below. From the measured strain fields we can calculate the components of the stress tensor as a function of position and determine the size and shape of the plastic process zone around the crack tip. Specimens tested at room temperature develop substantial plastic zones and achieve high stress intensities ((K) over bar (If) = 76MPam(1/2)) prior to fracture. Specimens tested at cryogenic temperatures fail at reduced but still substantial stress intensities ((K) over bar (If) = 39MPam(1/2)) and show only limited evidence of crack-tip plasticity. We propose that the difference in behavior is associated with changes in the flow stress and elastic constants, which influence the number density of shear bands in the plastic zone and thus the strain required to initiate fracture on an individual band. A secondary effect is a change in the triaxial state of stress around the crack tip due to the temperature dependence of Poisson's ratio. It is likely that this ability to map elastic strains on the microscale will be useful in other contexts, although interpreting shifts in the position of the scattering peaks in amorphous materials in terms of elastic strains must be done with caution. C1 [Hufnagel, Todd C.; Vempati, Uday K.] Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. [Almer, Jonathan D.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Hufnagel, TC (reprint author), Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. EM hufnagel@jhu.edu RI Hufnagel, Todd/A-3309-2010 OI Hufnagel, Todd/0000-0002-6373-9377 FU National Science Foundation [0705517, 1107838, 1066293]; hospitality of the Aspen Center for Physics; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH1135] FX Funding from the National Science Foundation under grants 0705517, 1107838, 1066293 and the hospitality of the Aspen Center for Physics. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH1135. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 37 TC 6 Z9 6 U1 1 U2 34 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD DEC 27 PY 2013 VL 8 IS 12 AR e83289 DI 10.1371/journal.pone.0083289 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 281RE UT WOS:000329117900031 PM 24386172 ER PT J AU Zhu, WQ Chen, GS Jiang, N Liu, JH Mou, MJ AF Zhu, Wenquan Chen, Guangsheng Jiang, Nan Liu, Jianhong Mou, Minjie TI Estimating Carbon Flux Phenology with Satellite-Derived Land Surface Phenology and Climate Drivers for Different Biomes: A Synthesis of AmeriFlux Observations SO PLOS ONE LA English DT Article ID GROWING-SEASON LENGTH; DECIDUOUS FOREST; SPRING PHENOLOGY; INTERANNUAL VARIABILITY; ECOSYSTEM PRODUCTIVITY; VEGETATION DYNAMICS; WATER-VAPOR; TIME-SERIES; SEQUESTRATION; PHOTOSYNTHESIS AB Carbon Flux Phenology (CFP) can affect the interannual variation in Net Ecosystem Exchange (NEE) of carbon between terrestrial ecosystems and the atmosphere. In this study, we proposed a methodology to estimate CFP metrics with satellite-derived Land Surface Phenology (LSP) metrics and climate drivers for 4 biomes (i.e., deciduous broadleaf forest, evergreen needleleaf forest, grasslands and croplands), using 159 site-years of NEE and climate data from 32 AmeriFlux sites and MODIS vegetation index time-series data. LSP metrics combined with optimal climate drivers can explain the variability in Start of Carbon Uptake (SCU) by more than 70% and End of Carbon Uptake (ECU) by more than 60%. The Root Mean Square Error (RMSE) of the estimations was within 8.5 days for both SCU and ECU. The estimation performance for this methodology was primarily dependent on the optimal combination of the LSP retrieval methods, the explanatory climate drivers, the biome types, and the specific CFP metric. This methodology has a potential for allowing extrapolation of CFP metrics for biomes with a distinct and detectable seasonal cycle over large areas, based on synoptic multi-temporal optical satellite data and climate data. C1 [Zhu, Wenquan] Beijing Normal Univ, State Key Lab Earth Surface Proc & Resource Ecol, Beijing 100875, Peoples R China. [Zhu, Wenquan; Jiang, Nan; Liu, Jianhong; Mou, Minjie] Beijing Normal Univ, Coll Resources Sci & Technol, Beijing 100875, Peoples R China. [Chen, Guangsheng] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Zhu, WQ (reprint author), Beijing Normal Univ, State Key Lab Earth Surface Proc & Resource Ecol, Beijing 100875, Peoples R China. EM zhuwq75@bnu.edu.cn FU National Natural Science Foundation of China [41371389]; State Key Laboratory of Earth Surface Processes and Resource Ecology [2013-ZY-14]; Fundamental Research Funds for the Central University FX This work was supported by the National Natural Science Foundation of China (Grant No. 41371389), the State Key Laboratory of Earth Surface Processes and Resource Ecology (Grant No. 2013-ZY-14), and the Fundamental Research Funds for the Central University. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 48 TC 1 Z9 2 U1 1 U2 36 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD DEC 27 PY 2013 VL 8 IS 12 AR e84990 DI 10.1371/journal.pone.0084990 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 281RE UT WOS:000329117900119 PM 24386441 ER PT J AU Adamczyk, L Adkins, JK Agakishiev, G Aggarwal, MM Ahammed, Z Alekseev, I Alford, J Anson, CD Aparin, A Arkhipkin, D Aschenauer, E Averichev, GS Balewski, J Banerjee, A Barnovska, Z Beavis, DR Bellwied, R Betancourt, MJ Betts, RR Bhasin, A Bhati, AK Bhattarai, P Bichsel, H Bielcik, J Bielcikova, J Bland, LC Bordyuzhin, IG Borowski, W Bouchet, J Brandin, AV Brovko, SG Bruna, E Bultmann, S Bunzarov, I Burton, TP Butterworth, J Caines, H Sanchez, MCD Cebra, D Cendejas, R Cervantes, MC Chaloupka, P Chang, Z Chattopadhyay, S Chen, HF Chen, JH Chen, JY Chen, L Cheng, J Cherney, M Chikanian, A Christie, W Chung, P Chwastowski, J Codrington, MJM Corliss, R Cramer, JG Crawford, HJ Cui, X Das, S Leyva, AD De Silva, LC Debbe, RR Dedovich, TG Deng, J de Souza, RD Dhamija, S di Ruzza, B Didenko, L Dilks, C Ding, F Dion, A Djawotho, P Dong, X Drachenberg, JL Draper, JE Du, CM Dunkelberger, LE Dunlop, JC Efimov, LG Elnimr, M Engelage, J Engle, KS Eppley, G Eun, L Evdokimov, O Fatemi, R Fazio, S Fedorisin, J Fersch, RG Filip, P Finch, E Fisyak, Y Flores, CE Gagliardi, CA Gangadharan, DR Garand, D Geurts, F Gibson, A Gliske, S Grebenyuk, OG Grosnick, D Guo, Y Gupta, A Gupta, S Guryn, W Haag, B Hajkova, O Hamed, A Han, LX Haque, R Harris, JW Hays-Wehle, JP Heppelmann, S Hirsch, A Hoffmann, GW Hofman, DJ Horvat, S Huang, B Huang, HZ Huck, P Humanic, TJ Igo, G Jacobs, WW Jena, C Judd, EG Kabana, S Kang, K Kauder, K Ke, HW Keane, D Kechechyan, A Kesich, A Kikola, DP Kiryluk, J Kisel, I Kisiel, A Koetke, DD Kollegger, T Konzer, J Koralt, I Korsch, W Kotchenda, L Kravtsov, P Krueger, K Kulakov, I Kumar, L Kycia, RA Lamont, MAC Landgraf, JM Landry, KD LaPointe, S Lauret, J Lebedev, A Lednicky, R Lee, JH Leight, W LeVine, MJ Li, C Li, W Li, X Li, X Li, Y Li, ZM Lima, LM Lisa, MA Liu, F Ljubicic, T Llope, WJ Longacre, RS Luo, X Ma, GL Ma, YG Don, DMMDM Mahapatra, DP Majka, R Margetis, S Markert, C Masui, H Matis, HS McDonald, D McShane, TS Mioduszewski, S Mitrovski, MK Mohammed, Y Mohanty, B Mondal, MM Munhoz, MG Mustafa, MK Naglis, M Nandi, BK Nasim, M Nayak, TK Nelson, JM Nogach, LV Novak, J Odyniec, G Ogawa, A Oh, K Ohlson, A Okorokov, V Oldag, EW Oliveira, RAN Olson, D Pachr, M Page, BS Pal, SK Pan, YX Pandit, Y Panebratsev, Y Pawlak, T Pawlik, B Pei, H Perkins, C Peryt, W Pile, P Planinic, M Pluta, J Plyku, D Poljak, N Porter, J Poskanzer, AM Powell, CB Pruneau, C Pruthi, NK Przybycien, M Pujahari, PR Putschke, J Qiu, H Ramachandran, S Raniwala, R Raniwala, S Ray, RL Riley, CK Ritter, HG Roberts, JB Rogachevskiy, OV Romero, JL Ross, JF Roy, A Ruan, L Rusnak, J Sahoo, NR Sahu, PK Sakrejda, I Salur, S Sandacz, A Sandweiss, J Sangaline, E Sarkar, A Schambach, J Scharenberg, RP Schmah, AM Schmidke, B Schmitz, N Schuster, TR Seger, J Seyboth, P Shah, N Shahaliev, E Shao, M Sharma, B Sharma, M Shen, WQ Shi, SS Shou, QY Sichtermann, EP Singaraju, RN Skoby, MJ Smirnov, D Smirnov, N Solanki, D Sorensen, P deSouza, UG Spinka, HM Srivastava, B Stanislaus, TDS Stevens, JR Stock, R Strikhanov, M Stringfellow, B Suaide, AAP Suarez, MC Sumbera, M Sun, XM Sun, Y Sun, Z Surrow, B Svirida, DN Symons, TJM de Toledo, AS Takahashi, J Tang, AH Tang, Z Tarini, LH Tarnowsky, T Thomas, JH Timmins, AR Tlusty, D Tokarev, M Trentalange, S Tribble, RE Tribedy, P Trzeciak, BA Tsai, OD Turnau, J Ullrich, T Underwood, DG Van Buren, G van Nieuwenhuizen, G Vanfossen, JA Varma, R Vasconcelos, GMS Vertesi, R Videbaek, F Viyogi, YP Vokal, S Voloshin, SA Vossen, A Wada, M Walker, M Wang, F Wang, G Wang, H Wang, JS Wang, Q Wang, XL Wang, Y Webb, G Webb, JC Westfall, GD Wieman, H Wissink, SW Witt, R Wu, YF Xiao, Z Xie, W Xin, K Xu, H Xu, N Xu, QH Xu, W Xu, Y Xu, Z Yan, W Yang, C Yang, Y Yang, Y Yepes, P Yi, L Yip, K Yoo, IK Zawisza, Y Zbroszczyk, H Zha, W Zhang, JB Zhang, S Zhang, XP Zhang, Y Zhang, ZP Zhao, F Zhao, J Zhong, C Zhu, X Zhu, YH Zoulkarneeva, Y Zyzak, M AF Adamczyk, L. Adkins, J. K. Agakishiev, G. Aggarwal, M. M. Ahammed, Z. Alekseev, I. Alford, J. Anson, C. D. Aparin, A. Arkhipkin, D. Aschenauer, E. Averichev, G. S. Balewski, J. Banerjee, A. Barnovska, Z. Beavis, D. R. Bellwied, R. Betancourt, M. J. Betts, R. R. Bhasin, A. Bhati, A. K. Bhattarai, P. Bichsel, H. Bielcik, J. Bielcikova, J. Bland, L. C. Bordyuzhin, I. G. Borowski, W. Bouchet, J. Brandin, A. V. Brovko, S. G. Bruna, E. Bueltmann, S. Bunzarov, I. Burton, T. P. Butterworth, J. Caines, H. Sanchez, M. Calderon de la Barca Cebra, D. Cendejas, R. Cervantes, M. C. Chaloupka, P. Chang, Z. Chattopadhyay, S. Chen, H. F. Chen, J. H. Chen, J. Y. Chen, L. Cheng, J. Cherney, M. Chikanian, A. Christie, W. Chung, P. Chwastowski, J. Codrington, M. J. M. Corliss, R. Cramer, J. G. Crawford, H. J. Cui, X. Das, S. Leyva, A. Davila De Silva, L. C. Debbe, R. R. Dedovich, T. G. Deng, J. Derradi de Souza, R. Dhamija, S. di Ruzza, B. Didenko, L. Dilks, C. Ding, F. Dion, A. Djawotho, P. Dong, X. Drachenberg, J. L. Draper, J. E. Du, C. M. Dunkelberger, L. E. Dunlop, J. C. Efimov, L. G. Elnimr, M. Engelage, J. Engle, K. S. Eppley, G. Eun, L. Evdokimov, O. Fatemi, R. Fazio, S. Fedorisin, J. Fersch, R. G. Filip, P. Finch, E. Fisyak, Y. Flores, C. E. Gagliardi, C. A. Gangadharan, D. R. Garand, D. Geurts, F. Gibson, A. Gliske, S. Grebenyuk, O. G. Grosnick, D. Guo, Y. Gupta, A. Gupta, S. Guryn, W. Haag, B. Hajkova, O. Hamed, A. Han, L-X. Haque, R. Harris, J. W. Hays-Wehle, J. P. Heppelmann, S. Hirsch, A. Hoffmann, G. W. Hofman, D. J. Horvat, S. Huang, B. Huang, H. Z. Huck, P. Humanic, T. J. Igo, G. Jacobs, W. W. Jena, C. Judd, E. G. Kabana, S. Kang, K. Kauder, K. Ke, H. W. Keane, D. Kechechyan, A. Kesich, A. Kikola, D. P. Kiryluk, J. Kisel, I. Kisiel, A. Koetke, D. D. Kollegger, T. Konzer, J. Koralt, I. Korsch, W. Kotchenda, L. Kravtsov, P. Krueger, K. Kulakov, I. Kumar, L. Kycia, R. A. Lamont, M. A. C. Landgraf, J. M. Landry, K. D. LaPointe, S. Lauret, J. Lebedev, A. Lednicky, R. Lee, J. H. Leight, W. LeVine, M. J. Li, C. Li, W. Li, X. Li, X. Li, Y. Li, Z. M. Lima, L. M. Lisa, M. A. Liu, F. Ljubicic, T. Llope, W. J. Longacre, R. S. Luo, X. Ma, G. L. Ma, Y. G. Don, D. M. M. D. Madagodagettige Mahapatra, D. P. Majka, R. Margetis, S. Markert, C. Masui, H. Matis, H. S. McDonald, D. McShane, T. S. Mioduszewski, S. Mitrovski, M. K. Mohammed, Y. Mohanty, B. Mondal, M. M. Munhoz, M. G. Mustafa, M. K. Naglis, M. Nandi, B. K. Nasim, Md. Nayak, T. K. Nelson, J. M. Nogach, L. V. Novak, J. Odyniec, G. Ogawa, A. Oh, K. Ohlson, A. Okorokov, V. Oldag, E. W. Oliveira, R. A. N. Olson, D. Pachr, M. Page, B. S. Pal, S. K. Pan, Y. X. Pandit, Y. Panebratsev, Y. Pawlak, T. Pawlik, B. Pei, H. Perkins, C. Peryt, W. Pile, P. Planinic, M. Pluta, J. Plyku, D. Poljak, N. Porter, J. Poskanzer, A. M. Powell, C. B. Pruneau, C. Pruthi, N. K. Przybycien, M. Pujahari, P. R. Putschke, J. Qiu, H. Ramachandran, S. Raniwala, R. Raniwala, S. Ray, R. L. Riley, C. K. Ritter, H. G. Roberts, J. B. Rogachevskiy, O. V. Romero, J. L. Ross, J. F. Roy, A. Ruan, L. Rusnak, J. Sahoo, N. R. Sahu, P. K. Sakrejda, I. Salur, S. Sandacz, A. Sandweiss, J. Sangaline, E. Sarkar, A. Schambach, J. Scharenberg, R. P. Schmah, A. M. Schmidke, B. Schmitz, N. Schuster, T. R. Seger, J. Seyboth, P. Shah, N. Shahaliev, E. Shao, M. Sharma, B. Sharma, M. Shen, W. Q. Shi, S. S. Shou, Q. Y. Sichtermann, E. P. Singaraju, R. N. Skoby, M. J. Smirnov, D. Smirnov, N. Solanki, D. Sorensen, P. deSouza, U. G. Spinka, H. M. Srivastava, B. Stanislaus, T. D. S. Stevens, J. R. Stock, R. Strikhanov, M. Stringfellow, B. Suaide, A. A. P. Suarez, M. C. Sumbera, M. Sun, X. M. Sun, Y. Sun, Z. Surrow, B. Svirida, D. N. Symons, T. J. M. Szanto de Toledo, A. Takahashi, J. Tang, A. H. Tang, Z. Tarini, L. H. Tarnowsky, T. Thomas, J. H. Timmins, A. R. Tlusty, D. Tokarev, M. Trentalange, S. Tribble, R. E. Tribedy, P. Trzeciak, B. A. Tsai, O. D. Turnau, J. Ullrich, T. Underwood, D. G. Van Buren, G. van Nieuwenhuizen, G. Vanfossen, J. A., Jr. Varma, R. Vasconcelos, G. M. S. Vertesi, R. Videbaek, F. Viyogi, Y. P. Vokal, S. Voloshin, S. A. Vossen, A. Wada, M. Walker, M. Wang, F. Wang, G. Wang, H. Wang, J. S. Wang, Q. Wang, X. L. Wang, Y. Webb, G. Webb, J. C. Westfall, G. D. Wieman, H. Wissink, S. W. Witt, R. Wu, Y. F. Xiao, Z. Xie, W. Xin, K. Xu, H. Xu, N. Xu, Q. H. Xu, W. Xu, Y. Xu, Z. Yan, W. Yang, C. Yang, Y. Yang, Y. Yepes, P. Yi, L. Yip, K. Yoo, I-K. Zawisza, Y. Zbroszczyk, H. Zha, W. Zhang, J. B. Zhang, S. Zhang, X. P. Zhang, Y. Zhang, Z. P. Zhao, F. Zhao, J. Zhong, C. Zhu, X. Zhu, Y. H. Zoulkarneeva, Y. Zyzak, M. CA STAR Collaboration TI Fluctuations of charge separation perpendicular to the event plane and local parity violation in root S-NN=200 GeV Au + Au collisions at the BNL Relativistic Heavy Ion Collider SO PHYSICAL REVIEW C LA English DT Article ID HOT QCD; CONSERVATION; COLLISIONS AB Previous experimental results based on data (similar to 15 x 10(6) events) collected by the STAR detector at the BNL Relativistic Heavy Ion Collider suggest event-by-event charge-separation fluctuations perpendicular to the event plane in noncentral heavy-ion collisions. Here we present the correlator previously used split into its two component parts to reveal correlations parallel and perpendicular to the event plane. The results are from a high-statistics 200-GeV Au + Au collisions data set (57 x 10(6) events) collected by the STAR experiment. We explicitly count units of charge separation from which we find clear evidence for more charge-separation fluctuations perpendicular than parallel to the event plane. We also employ a modified correlator to study the possible P-even background in same- and opposite-charge correlations, and find that the P-even background may largely be explained by momentum conservation and collective motion. C1 [Adamczyk, L.; Przybycien, M.] AGH Univ Sci & Technol, Krakow, Poland. [Gliske, S.; Krueger, K.; Spinka, H. M.; Underwood, D. G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Nelson, J. M.] Univ Birmingham, Birmingham, W Midlands, England. [Arkhipkin, D.; Aschenauer, E.; Beavis, D. R.; Bland, L. C.; Burton, T. P.; Christie, W.; Debbe, R. R.; di Ruzza, B.; Didenko, L.; Dion, A.; Dunlop, J. C.; Fazio, S.; Fisyak, Y.; Guryn, W.; Huang, B.; Lamont, M. A. C.; Landgraf, J. M.; Lauret, J.; Lebedev, A.; Lee, J. H.; LeVine, M. J.; Ljubicic, T.; Longacre, R. S.; Mitrovski, M. K.; Ogawa, A.; Pile, P.; Ruan, L.; Schmidke, B.; Smirnov, D.; Sorensen, P.; Tang, A. H.; Ullrich, T.; Van Buren, G.; Videbaek, F.; Wang, H.; Webb, J. C.; Xu, Z.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Crawford, H. J.; Engelage, J.; Judd, E. G.; Perkins, C.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Brovko, S. G.; Sanchez, M. Calderon de la Barca; Cebra, D.; Ding, F.; Draper, J. E.; Flores, C. E.; Haag, B.; Kesich, A.; Romero, J. L.; Sangaline, E.] Univ Calif Davis, Davis, CA 95616 USA. [Dunkelberger, L. E.; Huang, H. Z.; Igo, G.; Landry, K. D.; Pan, Y. X.; Shah, N.; Trentalange, S.; Tsai, O. D.; Wang, G.; Xu, W.; Zhao, F.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Derradi de Souza, R.; Takahashi, J.; Vasconcelos, G. M. S.] Univ Estadual Campinas, Sao Paulo, Brazil. [Chen, J. Y.; Chen, L.; Huck, P.; Ke, H. W.; Li, Z. M.; Liu, F.; Luo, X.; Pei, H.; Shi, S. S.; Wu, Y. F.; Yang, Y.; Zhang, J. B.] Cent China Normal Univ HZNU, Wuhan 430079, Peoples R China. [Betts, R. R.; Evdokimov, O.; Hofman, D. J.; Kauder, K.; Pandit, Y.; Suarez, M. C.] Univ Illinois, Chicago, IL 60607 USA. [Chwastowski, J.; Kycia, R. A.] Cracow Univ Technol, Krakow, Poland. [Cherney, M.; Don, D. M. M. D. Madagodagettige; McShane, T. S.; Ross, J. F.; Seger, J.] Creighton Univ, Omaha, NE 68178 USA. [Bielcik, J.; Chaloupka, P.; Hajkova, O.; Pachr, M.] Czech Tech Univ, FNSPE, Prague 11519, Czech Republic. [Barnovska, Z.; Bielcikova, J.; Chung, P.; Rusnak, J.; Sumbera, M.; Vertesi, R.] Nucl Phys Inst AS CR, Rez 25068, Czech Republic. [Kollegger, T.; Schuster, T. R.; Stock, R.] Goethe Univ Frankfurt, D-60054 Frankfurt, Germany. [Das, S.; Mahapatra, D. P.; Sahu, P. K.] Inst Phys, Bhubaneswar 751005, Orissa, India. [Nandi, B. K.; Pujahari, P. R.; Sarkar, A.; Varma, R.] Indian Inst Technol, Bombay 400076, Maharashtra, India. [Dhamija, S.; Jacobs, W. W.; Page, B. S.; Skoby, M. J.; Vossen, A.; Wissink, S. W.] Indiana Univ, Bloomington, IN 47408 USA. 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[Cheng, J.; Kang, K.; Li, Y.; Wang, Y.; Xiao, Z.; Yan, W.; Zhang, X. P.; Zhu, X.] Tsinghua Univ, Beijing 100084, Peoples R China. [Engle, K. S.; Witt, R.] US Naval Acad, Annapolis, MD 21402 USA. [Drachenberg, J. L.; Gibson, A.; Grosnick, D.; Koetke, D. D.; Stanislaus, T. D. S.] Valparaiso Univ, Valparaiso, IN 46383 USA. [Ahammed, Z.; Banerjee, A.; Chattopadhyay, S.; Haque, R.; Nasim, Md.; Nayak, T. K.; Pal, S. K.; Roy, A.; Sahoo, N. R.; Singaraju, R. N.; Tribedy, P.; Viyogi, Y. P.] Ctr Variable Energy Cyclotron, Kolkata 700064, India. [Kisiel, A.; Pawlak, T.; Peryt, W.; Pluta, J.; Sandacz, A.; Trzeciak, B. A.; Zbroszczyk, H.] Warsaw Univ Technol, Warsaw, Poland. [Bichsel, H.; Cramer, J. G.] Univ Washington, Seattle, WA 98195 USA. [Elnimr, M.; LaPointe, S.; Pruneau, C.; Putschke, J.; Sharma, M.; Tarini, L. H.; Voloshin, S. A.] Wayne State Univ, Detroit, MI 48201 USA. [Bruna, E.; Caines, H.; Chikanian, A.; Finch, E.; Harris, J. W.; Horvat, S.; Majka, R.; Ohlson, A.; Riley, C. K.; Sandweiss, J.; Smirnov, N.] Yale Univ, New Haven, CT 06520 USA. [Planinic, M.; Poljak, N.] Univ Zagreb, HR-10002 Zagreb, Croatia. RP Adamczyk, L (reprint author), AGH Univ Sci & Technol, Krakow, Poland. RI Chaloupka, Petr/E-5965-2012; Huang, Bingchu/H-6343-2015; Derradi de Souza, Rafael/M-4791-2013; Suaide, Alexandre/L-6239-2016; Xin, Kefeng/O-9195-2016; Yi, Li/Q-1705-2016; Svirida, Dmitry/R-4909-2016; Okorokov, Vitaly/C-4800-2017; Ma, Yu-Gang/M-8122-2013; Strikhanov, Mikhail/P-7393-2014; Xu, Wenqin/H-7553-2014; XIAO, Zhigang/C-3788-2015; Aparecido Negrao de Oliveira, Renato/G-9133-2015; Bruna, Elena/C-4939-2014; Kycia, Radoslaw/J-4397-2015; Lednicky, Richard/K-4164-2013; Fazio, Salvatore /G-5156-2010; Rusnak, Jan/G-8462-2014; Bielcikova, Jana/G-9342-2014; Takahashi, Jun/B-2946-2012; Alekseev, Igor/J-8070-2014; Sumbera, Michal/O-7497-2014 OI Huang, Bingchu/0000-0002-3253-3210; Derradi de Souza, Rafael/0000-0002-2084-7001; Suaide, Alexandre/0000-0003-2847-6556; Xin, Kefeng/0000-0003-4853-9219; Yi, Li/0000-0002-7512-2657; Okorokov, Vitaly/0000-0002-7162-5345; Ma, Yu-Gang/0000-0002-0233-9900; Bhasin, Anju/0000-0002-3687-8179; Ke, Hongwei/0000-0003-1463-7291; Strikhanov, Mikhail/0000-0003-2586-0405; Xu, Wenqin/0000-0002-5976-4991; Bruna, Elena/0000-0001-5427-1461; Kycia, Radoslaw/0000-0002-6390-4627; Takahashi, Jun/0000-0002-4091-1779; Alekseev, Igor/0000-0003-3358-9635; Sumbera, Michal/0000-0002-0639-7323 FU FAPESP CNPq of Brazil; Ministry of Education and Science of the Russian Federation; NNSFC, CAS, MoST, and MoE of China; GA and MSMT of the Czech Republic; FOM and NWO of the Netherlands; DAE, DST, and CSIR of India; Polish Ministry of Science and Higher Education; National Research Foundation [NRF-2012004024]; Ministry of Science, Education and Sports of the Republic of Croatia; RosAtom of Russia; Offices of NP and HEP within the US DOE Office of Science, the US NSF, the Sloan Foundation, CNRS/IN2P3 FX We thank the RHIC Operations Group and RCF at BNL, the NERSC Center at LBNL and the Open Science Grid consortium for providing resources and support. This work was supported in part by the Offices of NP and HEP within the US DOE Office of Science, the US NSF, the Sloan Foundation, CNRS/IN2P3; FAPESP CNPq of Brazil; Ministry of Education and Science of the Russian Federation; NNSFC, CAS, MoST, and MoE of China; GA and MSMT of the Czech Republic; FOM and NWO of the Netherlands; DAE, DST, and CSIR of India; Polish Ministry of Science and Higher Education; National Research Foundation (Grant No. NRF-2012004024), Ministry of Science, Education and Sports of the Republic of Croatia; and RosAtom of Russia. NR 28 TC 15 Z9 15 U1 1 U2 37 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD DEC 26 PY 2013 VL 88 IS 6 AR 064911 DI 10.1103/PhysRevC.88.064911 PG 10 WC Physics, Nuclear SC Physics GA AB9WT UT WOS:000332147100007 ER PT J AU Desjarlais, MP AF Desjarlais, Michael P. TI First-principles calculation of entropy for liquid metals SO PHYSICAL REVIEW E LA English DT Article ID 2-PHASE THERMODYNAMIC MODEL; MOLECULAR-DYNAMICS SIMULATIONS; AUGMENTED-WAVE METHOD; STATISTICAL-MECHANICS; ABSOLUTE ENTROPY; ENERGY; FLUID; AUTOCORRELATION; TRANSITIONS; MIXTURES AB We demonstrate the accurate calculation of entropies and free energies for a variety of liquid metals using an extension of the two-phase thermodynamic (2PT) model based on a decomposition of the velocity autocorrelation function into gas-like (hard sphere) and solid-like (harmonic) subsystems. The hard sphere model for the gas-like component is shown to give systematically high entropies for liquid metals as a direct result of the unphysical Lorentzian high-frequency tail. Using a memory function framework we derive a generally applicable velocity autocorrelation and frequency spectrum for the diffusive component which recovers the low-frequency (long-time) behavior of the hard sphere model while providing for realistic short-time coherence and high-frequency tails to the spectrum. This approach provides a significant increase in the accuracy of the calculated entropies for liquid metals and is compared to ambient pressure data for liquid sodium, aluminum, gallium, tin, and iron. The use of this method for the determination of melt boundaries is demonstrated with a calculation of the high-pressure bcc melt boundary for sodium. With the significantly improved accuracy available with the memory function treatment for softer interatomic potentials, the 2PT model for entropy calculations should find broader application in high energy density science, warm dense matter, planetary science, geophysics, and material science. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Desjarlais, MP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mpdesja@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The author gratefully thanks Luke Shulenburger, Martin French, and Thomas Mattsson for useful discussions. All simulations were performed on Sandia National Laboratories High Performance Computing Platforms. The sodium melt computations benefited substantially in efficiency from Paul Kent's k-point parallelization scheme for VASP. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 50 TC 15 Z9 15 U1 3 U2 44 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 EI 1550-2376 J9 PHYS REV E JI Phys. Rev. E PD DEC 26 PY 2013 VL 88 IS 6 AR 062145 DI 10.1103/PhysRevE.88.062145 PG 9 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA AB9XK UT WOS:000332148800005 PM 24483423 ER PT J AU Wang, Q Sun, Z Rotenberg, E Ronning, F Bauer, ED Lin, H Markiewicz, RS Lindroos, M Barbiellini, B Bansil, A Dessau, DS AF Wang, Q. Sun, Z. Rotenberg, E. Ronning, F. Bauer, E. D. Lin, H. Markiewicz, R. S. Lindroos, M. Barbiellini, B. Bansil, A. Dessau, D. S. TI Symmetry-broken electronic structure and uniaxial Fermi surface nesting of untwinned CaFe2As2 SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTOR; CA(FE1-XCOX)(2)AS-2; TRANSITION; ANISOTROPY; STATES AB We used angle-resolved photoemission spectroscopy to make direct measurements of the electronic structure of the untwinned uniaxial state of CaFe2As2, the parent compound of an iron-based superconductor. The very small photon beam size, combined with the relatively large single-domain area on the crystal surfaces, allowed us to obtain the intrinsic symmetry-broken dispersions and Fermi surface (FS) geometries along the orthogonal Fe-Fe bond directions without any mechanical or magnetic detwinning processes. Comparing the optimized local density approximation calculations, an orbital-dependent band shifting is introduced to obtain better agreement, which is consistent with the development of orbital ordering. More interestingly, unidirectional straight and flat FS segments are observed near the zone center, which indicates the existence of a unidirectional charge density wave order. Our results indicate strong electronic anisotropy in CaFe2As2 and put strong constraints on theories for the iron-pnictide system. C1 [Wang, Q.; Sun, Z.; Dessau, D. S.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Wang, Q.; Ronning, F.; Bauer, E. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Sun, Z.] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China. [Rotenberg, E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Lin, H.; Markiewicz, R. S.; Lindroos, M.; Barbiellini, B.; Bansil, A.] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. RP Wang, Q (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA. EM dessau@colorado.edu RI Rotenberg, Eli/B-3700-2009; Barbiellini, Bernardo/K-3619-2015; Lin, Hsin/F-9568-2012; OI Rotenberg, Eli/0000-0002-3979-8844; Barbiellini, Bernardo/0000-0002-3309-1362; Lin, Hsin/0000-0002-4688-2315; Ronning, Filip/0000-0002-2679-7957; Bauer, Eric/0000-0003-0017-1937 FU Division of Materials Science and Engineering, Basic Energy Sciences, US Department of Energy (DOE) [DE-FG02-03ER46066, AC03-76SF00098, DE-FG02-07ER46352]; Office of Science (DOE) [DE-AC02-05CH11231]; US DOE FX The authors thank David Singh, Igor Mazin, Milan Allan, and J. C. Davis for helpful discussions. This work was supported by the Division of Materials Science and Engineering, Basic Energy Sciences, US Department of Energy (DOE) Grants No. DE-FG02-03ER46066, No. AC03-76SF00098, and No. DE-FG02-07ER46352 and benefited from the allocation of supercomputer time at National Energy Research Scientific Computing and Northeastern University's Advanced Scientific Computation Center. ALS is supported by the Director, Office of Science (DOE) under Contract No. DE-AC02-05CH11231. The work at Los Alamos National Laboratory was performed under the auspices of the US DOE. NR 38 TC 3 Z9 3 U1 1 U2 27 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 26 PY 2013 VL 88 IS 23 AR 235125 DI 10.1103/PhysRevB.88.235125 PG 6 WC Physics, Condensed Matter SC Physics GA AB4JA UT WOS:000331754500001 ER PT J AU Mamo, KA Yee, HU AF Mamo, Kiminad A. Yee, Ho-Ung TI Spin polarized photons and dileptons from axially charged plasma SO PHYSICAL REVIEW D LA English DT Article ID HEAVY-ION COLLISIONS; ODD BUBBLES; QCD AB Axial charge in a QCD plasma is P- and CP-odd. We propose and study P-and CP-odd observables in photon and dilepton emissions from an axially charged QCD plasma, which may provide possible experimental evidences of axial charge fluctuation and triangle anomaly in the plasma created in heavy-ion collisions. Our observables measure spin alignments of the emitted photons and dileptons, and are shown to be related to the imaginary part of chiral magnetic conductivity at finite frequency-momentum, which ultimately arises from the underlying triangle anomaly of the QCD plasma with a finite axial charge density. We present an exemplar computation of these observables in a strongly coupled regime using AdS/CFT correspondence. C1 [Mamo, Kiminad A.; Yee, Ho-Ung] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Yee, Ho-Ung] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Mamo, KA (reprint author), Univ Illinois, Dept Phys, Chicago, IL 60607 USA. EM kabebe2@uic.edu; hyee@uic.edu NR 47 TC 4 Z9 4 U1 1 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD DEC 26 PY 2013 VL 88 IS 11 AR 114029 DI 10.1103/PhysRevD.88.114029 PG 14 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AB5NO UT WOS:000331835600002 ER PT J AU Haxton, TK Zhou, H Tamblyn, I Eom, D Hu, ZH Neaton, JB Heinz, TF Whitelam, S AF Haxton, Thomas K. Zhou, Hui Tamblyn, Isaac Eom, Daejin Hu, Zonghai Neaton, Jeffrey B. Heinz, Tony F. Whitelam, Stephen TI Competing Thermodynamic and Dynamic Factors Select Molecular Assemblies on a Gold Surface SO PHYSICAL REVIEW LETTERS LA English DT Article ID METAL-SURFACES; NETWORKS; CRYSTAL; LAYERS; PHASE AB Controlling the self-assembly of surface-adsorbed molecules into nanostructures requires understanding physical mechanisms that act across multiple length and time scales. By combining scanning tunneling microscopy with hierarchical ab initio and statistical mechanical modeling of 1,4-substituted benzenediamine (BDA) molecules adsorbed on a gold (111) surface, we demonstrate that apparently simple nanostructures are selected by a subtle competition of thermodynamics and dynamics. Of the collection of possible BDA nanostructures mechanically stabilized by hydrogen bonding, the interplay of intermolecular forces, surface modulation, and assembly dynamics select at low temperature a particular subset: low free energy oriented linear chains of monomers and high free energy branched chains. C1 [Haxton, Thomas K.; Tamblyn, Isaac; Neaton, Jeffrey B.; Whitelam, Stephen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Zhou, Hui; Eom, Daejin; Hu, Zonghai; Heinz, Tony F.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Zhou, Hui] Brion Technol, Santa Clara, CA 95054 USA. [Tamblyn, Isaac] Univ Ontario, Inst Technol, Dept Phys, Oshawa, ON L1H 7K4, Canada. [Eom, Daejin] KRISS, Taejon 305340, South Korea. [Hu, Zonghai] Peking Univ, Sch Phys, Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China. [Heinz, Tony F.] Columbia Univ, Dept Elect Engn, New York, NY 10027 USA. RP Haxton, TK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM tfh3@columbia.edu; swhitelam@lbl.gov RI Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; Heinz, Tony/K-7797-2015; OI Neaton, Jeffrey/0000-0001-7585-6135; Heinz, Tony/0000-0003-1365-9464; Tamblyn, Isaac/0000-0002-8146-6667 FU Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. DOE [DE-FG02-07ER15842]; NSERC; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was done as part of a user project at the Molecular Foundry, supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Work at Columbia was supported by U.S. DOE Contract No. DE-FG02-07ER15842. I. T. acknowledges support from NSERC. Simulations and DFT calculations 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. The authors thank Professor George Flynn for helpful discussions. NR 28 TC 8 Z9 8 U1 3 U2 36 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD DEC 26 PY 2013 VL 111 IS 26 AR 265701 DI 10.1103/PhysRevLett.111.265701 PG 5 WC Physics, Multidisciplinary SC Physics GA AB6XY UT WOS:000331934500012 PM 24483804 ER PT J AU Nossa, JF Islam, MF Canali, CM Pederson, MR AF Nossa, J. F. Islam, M. F. Canali, C. M. Pederson, M. R. TI Electric control of a {Fe-4} single-molecule magnet in a single-electron transistor SO PHYSICAL REVIEW B LA English DT Article ID ANISOTROPY; CLUSTERS; GOLD; APPROXIMATION; SPINTRONICS; SIMULATIONS; FORCES AB Using first-principles methods, we study theoretically the properties of an individual {Fe-4} single-molecule magnet (SMM) attached to metallic leads in a single-electron transistor geometry. We show that the conductive leads do not affect the spin ordering and magnetic anisotropy of the neutral SMM. On the other hand, the leads have a strong effect on the anisotropy of the charged states of the molecule, which are probed in Coulomb blockade transport. Furthermore, we demonstrate that an external electric potential, modeling a gate electrode, can be used to manipulate the magnetic properties of the system. For a charged molecule, by localizing the extra charge with the gate voltage closer to the magnetic core, the anisotropy magnitude and spin ordering converges to the values found for the isolated {Fe-4} SMM. We compare these findings with the results of recent quantum transport experiments in three-terminal devices. C1 [Nossa, J. F.; Islam, M. F.; Canali, C. M.] Linnaeus Univ, Dept Phys & Elect Engn, SE-39182 Kalmar, Sweden. [Nossa, J. F.] Lund Univ, Solid State Phys Nanometer Struct Consortium, SE-22100 Lund, Sweden. [Pederson, M. R.] US DOE, Off Basic Energy Sci, Washington, DC 20585 USA. RP Nossa, JF (reprint author), Linnaeus Univ, Dept Phys & Elect Engn, SE-39182 Kalmar, Sweden. OI Islam, Md/0000-0003-1847-0863 FU Faculty of Natural Science and Technology at Linnaeus University; Swedish Research Council [621-2007-5019, 621-2010-3761]; NordForsk research network [080134] FX This work was supported by the Faculty of Natural Science and Technology at Linnaeus University, the Swedish Research Council under Grants No. 621-2007-5019 and No. 621-2010-3761, and the NordForsk research network 080134 "Nanospintronics: theory and simulations." NR 42 TC 11 Z9 11 U1 3 U2 29 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 26 PY 2013 VL 88 IS 22 AR 224423 DI 10.1103/PhysRevB.88.224423 PG 16 WC Physics, Condensed Matter SC Physics GA AB4IP UT WOS:000331753300006 ER PT J AU Sentef, M Kemper, AF Moritz, B Freericks, JK Shen, ZX Devereaux, TP AF Sentef, Michael Kemper, Alexander F. Moritz, Brian Freericks, James K. Shen, Zhi-Xun Devereaux, Thomas P. TI Examining Electron-Boson Coupling Using Time-Resolved Spectroscopy SO PHYSICAL REVIEW X LA English DT Article ID CHARGE-DENSITY-WAVE; QUANTUM TRANSPORT; LINE-SHAPE; T-C; BI2SR2CACU2O8+DELTA; SUPERCONDUCTORS; PHOTOEMISSION; CUPRATE; DISPERSION; DISTRIBUTIONS AB Nonequilibrium pump-probe time-domain spectroscopies can become an important tool to disentangle degrees of freedom whose coupling leads to broad structures in the frequency domain. Here, using the time-resolved solution of a model photoexcited electron-phonon system, we show that the relaxational dynamics are directly governed by the equilibrium self-energy so that the phonon frequency sets a window for "slow" versus "fast" recovery. The overall temporal structure of this relaxation spectroscopy allows for a reliable and quantitative extraction of the electron-phonon coupling strength without requiring an effective temperature model or making strong assumptions about the underlying bare electronic band dispersion. C1 [Sentef, Michael; Moritz, Brian; Shen, Zhi-Xun; Devereaux, Thomas P.] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Kemper, Alexander F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Moritz, Brian] Univ N Dakota, Dept Phys & Astrophys, Grand Forks, ND 58202 USA. [Moritz, Brian] Univ Illinois, Dept Phys, De Kalb, IL 60115 USA. [Freericks, James K.] Georgetown Univ, Dept Phys, Washington, DC 20057 USA. [Shen, Zhi-Xun] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Shen, Zhi-Xun] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Devereaux, Thomas P.] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. RP Sentef, M (reprint author), SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. EM sentefmi@stanford.edu RI Sentef, Michael/L-5717-2013; Moritz, Brian/D-7505-2015; Kemper, Alexander/F-8243-2016; OI Sentef, Michael/0000-0002-7946-0282; Moritz, Brian/0000-0002-3747-8484; Kemper, Alexander/0000-0002-5426-5181; Freericks, James/0000-0002-6232-9165 FU Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (DMSE) [DE-AC02-76SF00515, DE-FG02-08ER46542, DE-SC0007091]; Department of Energy, Office of Science [DE- AC02-05CH11231]; McDevitt bequest at Georgetown FX This work was supported by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (DMSE) under Contracts No. DE-AC02-76SF00515 (Stanford/SIMES), No. DE-FG02-08ER46542 (Georgetown), and No. DE-SC0007091 (for the collaboration). Computational resources were provided by the National Energy Research Scientific Computing Center supported by the Department of Energy, Office of Science, under Contract No. DE- AC02-05CH11231. J.K.F. was also supported by the McDevitt bequest at Georgetown. NR 72 TC 41 Z9 41 U1 0 U2 35 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2160-3308 J9 PHYS REV X JI Phys. Rev. X PD DEC 26 PY 2013 VL 3 IS 4 AR 041033 DI 10.1103/PhysRevX.3.041033 PG 11 WC Physics, Multidisciplinary SC Physics GA 295PV UT WOS:000330128900001 ER PT J AU Benmayza, A Ramanathan, M Arthur, TS Matsui, M Mizuno, F Guo, JH Glans, PA Prakash, J AF Benmayza, Aadil Ramanathan, Mayandi Arthur, Timothy S. Matsui, Masaki Mizuno, Fuminori Guo, Jinghua Glans, Per-Anders Prakash, Jai TI Effect of Electrolytic Properties of a Magnesium Organohaloaluminate Electrolyte on Magnesium Deposition SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID POLYMER ELECTROLYTE; MG DEPOSITION; BATTERIES; ELECTROCHEMISTRY; SPECTROSCOPY; COMPLEXES; CHLORIDES; SYSTEMS AB Complex magnesium organohaloaluminate electrolytes were studied by electrochemical transport measurements and in-situ electrochemical/X-ray absorption spectroscopy. Cyclic voltammetry was employed to examine the reversibility of electrochemical magnesium deposition. To better understand the role of this electrolyte system, ionic transport properties such as transference number, ionic conductivity, and diffusion coefficient of Mg-ion species were measured at different concentrations. Transference number was determined by atomic absorption spectroscopy by quantifying the amount of potentiometric Mg deposition on Pt electrode. Despite exhibiting 100% Coulombic efficiency for Mg deposition and dissolution, the electrolyte showed low ionic conductivity and transference number at moderate and higher concentrations. To further investigate the observed transport properties, electrochemical deposition of magnesium from [Mg-2(mu-Cl)(3)center dot 6(OC4H8)](+) was monitored with in-situ/in-operando X-ray absorption spectroscopy of the Mg K-edge. Extended X-ray absorption fine structure (EXAFS) analysis revealed the presence of a nondimeric and interfacial Mg intermediate at potentials below Mg plating. From a combination of the electrochemical transport results and in-situ/in-operando X-ray absorption measurements, a mechanism for Mg deposition in organohaloaluminate electrolyte is proposed. C1 [Benmayza, Aadil; Ramanathan, Mayandi; Prakash, Jai] IIT, Dept Chem & Biol Engn, Ctr Electrochem Sci & Engn, Chicago, IL 60616 USA. [Arthur, Timothy S.; Matsui, Masaki; Mizuno, Fuminori] Toyota Res Inst North Amer, Ann Arbor, MI 48105 USA. [Guo, Jinghua; Glans, Per-Anders] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Arthur, TS (reprint author), Toyota Res Inst North Amer, 1555 Woodridge Ave, Ann Arbor, MI 48105 USA. EM tim.arthur@tema.toyota.com RI Matsui, Masaki/O-6645-2015; Glans, Per-Anders/G-8674-2016; Totsukawa, Nobuhisa/D-2028-2017; OI Matsui, Masaki/0000-0003-1499-7457; Ramanathan, Mayandi/0000-0002-8957-8989 FU Toyota Research Institute of North America (TRINA); Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by Toyota Research Institute of North America (TRINA). 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 38 TC 31 Z9 31 U1 7 U2 82 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD DEC 26 PY 2013 VL 117 IS 51 BP 26881 EP 26888 DI 10.1021/jp4077068 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 284PC UT WOS:000329331300003 ER PT J AU Howey, EB O'Donnell, V Ferreira, HCD Borca, MV Arzt, J AF Howey, Erin B. O'Donnell, Vivian Ferreira, Helena C. de Carvalho Borca, Manuel V. Arzt, Jonathan TI Pathogenesis of highly virulent African swine fever virus in domestic pigs exposed via intraoropharyngeal, intranasopharyngeal, and intramuscular inoculation, and by direct contact with infected pigs SO VIRUS RESEARCH LA English DT Article DE African swine fever; ASFV; Transmission; Challenge; Pathogenesis; Domestic pig ID WESTERN HEMISPHERE; BLOOD COMPONENTS; AIRBORNE VIRUS; TRANSMISSION; TISSUES; APOPTOSIS; CELL; REPLICATION; ASSOCIATION; LYMPHOCYTES AB To investigate the pathogenesis of African swine fever virus (ASFV), domestic pigs (n = 18) were challenged with a range (10(2)-10(6) 50% hemadsorbing doses (HAD(50))) of the highly virulent ASFV-Malawi strain by inoculation via the intraoropharyngeal (IOP), intranasopharyngeal (INP), or intramuscular (IM) routes. A subsequent contact challenge experiment was performed in which six IOP-inoculated donor pigs were allowed to have direct contact (DC) with six naive pigs for exposure times that varied from 24 to 72 h. All challenge routes resulted in clinical progression and postmortem lesions similar to those previously described in experimental and natural infection. The onset of clinical signs occurred between 1 and 7 days post inoculation (dpi) and included pyrexia with variable progression to obtundation, hematochezia, melena, moribundity and death with a duration of 4-11 days. Viremia was first detected between 4 and 5 dpi in all inoculation groups whereas ASFV shedding from the nasal cavity and tonsil was first detected at 3-9 dpi. IM and DC were the most consistent modes of infection, with 12/12 (100%) of pigs challenged by these routes becoming infected. Several clinical and virological parameters were significantly different between IM and DC groups indicating dissimilarity between these modes of infection. Amongst the simulated natural routes, INP inoculation resulted in the most consistent progression of disease across the widest range of doses whilst preserving simulation of natural exposure and therefore may provide a superior system for pathogenesis and vaccine efficacy investigation. Published by Elsevier B.V. C1 [Howey, Erin B.; O'Donnell, Vivian; Ferreira, Helena C. de Carvalho; Borca, Manuel V.; Arzt, Jonathan] USDA ARS, Foreign Anim Dis Res Unit, Plum Isl Anim Dis Ctr, Greenport, NY 11944 USA. [Howey, Erin B.; Ferreira, Helena C. de Carvalho] Oak Ridge Inst Sci & Educ, PIADC Res Participat Program, Oak Ridge, TN 37831 USA. [O'Donnell, Vivian] Univ Connecticut, Dept Pathobiol & Vet Sci, Storrs, CT 06269 USA. RP Arzt, J (reprint author), USDA ARS, Foreign Anim Dis Res Unit, Plum Isl Anim Dis Ctr, POB 848, Greenport, NY 11944 USA. EM Erin.Howey@ars.usda.gov; Vivian.ODonnell@ars.usda.gov; Helena.Ferreira@ars.usda.gov; Manuel.Borca@ars.usda.gov; Jonathan.Arzt@ars.usda.gov OI Borca, Manuel/0000-0002-0888-1178; Arzt, Jonathan/0000-0002-7517-7893 FU Agricultural Research Service-Current Research Information System [1940-32000-056-00D]; Science and Technology Directorate of the U.S. Department of Homeland Security [HSHQPM-12-X-00005]; Plum Island Animal Disease Research Participation Program FX This research was funded, in part, by Agricultural Research Service-Current Research Information System project No. 1940-32000-056-00D. Additional funds came from an interagency agreement with the Science and Technology Directorate of the U.S. Department of Homeland Security under Award Number HSHQPM-12-X-00005. Erin Howey's position is funded through the Plum Island Animal Disease Research Participation Program administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and the U.S. Department of Agriculture. NR 62 TC 10 Z9 11 U1 2 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1702 EI 1872-7492 J9 VIRUS RES JI Virus Res. PD DEC 26 PY 2013 VL 178 IS 2 BP 328 EP 339 DI 10.1016/j.virusres.2013.09.024 PG 12 WC Virology SC Virology GA 283SC UT WOS:000329266300017 PM 24076499 ER PT J AU Groenewold, GS Delmore, JE Benson, MT Tsuda, T Hagiwara, R AF Groenewold, Gary S. Delmore, James E. Benson, Michael T. Tsuda, Tetsuya Hagiwara, Rika TI Fluorohydrogenate Cluster Ions in the Gas Phase: Electrospray Ionization Mass Spectrometry of the [1-Ethyl-3-methylimidazolium(+)][F(HF)(2.3)(-)] Ionic Liquid SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID 1-ETHYL-3-METHYLIMIDAZOLIUM BIFLUORIDE; STRUCTURAL CHARACTERISTICS; PHYSICOCHEMICAL PROPERTIES; MOLTEN-SALTS; FLUORIDE; DENSITY; EMIMF(HF)(2.3); FLUOROANIONS; ANIONS; MODEL AB Electrospray ionization of the fluorohydrogenate ionic liquid [1-ethyl-3-methylimidazolium][F(HF)(2.3)] ionic liquid was conducted to understand the nature of the anionic species as they exist in the gas phase. Abundant fluorohydrogenate clusters were produced; however, the dominant anion in the clusters was [FHF-], and not the fluoride-bound HF dimers or trimers that are seen in solution. Density functional theory (DFT) calculations suggest that HF molecules are bound to the clusters by about 30 kcal/mol. The DFT-calculated structures of the [FHF-]-bearing clusters show that the favored interactions of the anions are with the methynic and acetylenic hydrogen atoms on the imidazolium cation, forming planar structures similar to those observed in the solid state. A second series of abundant negative ions was also formed that contained [SiF5-] together with the imidazolium cation and the fluorohydrogenate anions that originate from reaction of the spray solution with silicate surfaces. C1 [Groenewold, Gary S.; Delmore, James E.; Benson, Michael T.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Tsuda, Tetsuya] Osaka Univ, Dept Appl Chem, Grad Sch Engn, Osaka, Japan. [Hagiwara, Rika] Kyoto Univ, Dept Fundamental Energy Sci, Grad Sch Energy Sci, Kyoto, Japan. RP Groenewold, GS (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM gary.groenewold@inl.gov RI Tsuda, Tetsuya/F-7234-2014; Benson, Michael/B-8855-2017 OI Tsuda, Tetsuya/0000-0001-9462-8066; Benson, Michael/0000-0003-4927-614X FU U.S. Department of Energy (DOE) under the Idaho National Laboratory (INL) Laboratory-Directed Research and Development Program; DOE Idaho Operations Office [DE-AC07-99ID13727] FX This research was funded by the U.S. Department of Energy (DOE) under the Idaho National Laboratory (INL) Laboratory-Directed Research and Development Program. The INL is operated under DOE Idaho Operations Office contract DE-AC07-99ID13727. NR 34 TC 4 Z9 4 U1 5 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD DEC 26 PY 2013 VL 117 IS 51 BP 14191 EP 14199 DI 10.1021/jp407872c PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 284PG UT WOS:000329331700029 PM 24313327 ER PT J AU Goldman, N Tamblyn, I AF Goldman, Nir Tamblyn, Isaac TI Reply to "Comment on 'Prebiotic Chemistry Within a Simple Impacting Icy Mixture" SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Editorial Material ID AMINO-ACID SURVIVAL; EARLY EARTH; COMETARY; KINETICS; UNIQUE C1 [Goldman, Nir] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Tamblyn, Isaac] Univ Ontario, Inst Technol, Dept Phys, Oshawa, ON L1H 7K4, Canada. RP Goldman, N (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM ngoldman@llnl.gov OI Tamblyn, Isaac/0000-0002-8146-6667 NR 14 TC 0 Z9 0 U1 1 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD DEC 26 PY 2013 VL 117 IS 51 BP 14295 EP 14297 DI 10.1021/jp411584g PG 3 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 284PG UT WOS:000329331700041 PM 24279804 ER PT J AU Dong, H Ryu, IS Fleming, GR AF Dong, Hui Ryu, Ian Seungwan Fleming, Graham R. TI Pseudo-Rephasing and Pseudo-Free-Induction-Decay Mechanism in Two-Color Three-Pulse Photon Echo of a Binary System SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID PHOTOSYNTHETIC REACTION CENTERS; ENERGY-TRANSFER PATHWAYS; PEAK SHIFT SPECTROSCOPY; SOLVATION DYNAMICS; RHODOBACTER-SPHAEROIDES; COMPLEXES; BACTERIA; SIGNALS AB We investigate the two-color three-pulse photon echo peak shift in a (left right) binary system, where each component consists of a heterodimer. On the basis of the model, we find that the effect of the excitonic asymmetry between two components leads to an additional factor in the peak shift. A pseudo-rephasing and pseudo-free-induction-decay mechanism is proposed to explain the resultant negative peak shift, when the differences between the two left/right components have the opposite sign. In such a case, estimates of the electronic coupling strength via two- and one-color peak shift experiments lead to an underestimate of the coupling magnitude. C1 [Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Fleming, GR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM grfleming@lbl.gov FU Office of Science, Office of Basic Energy Sciences of the USA Department of Energy [DE-AC02-05CH11231]; Division of Chemical Sciences, Geo-sciences and Biosciences Division, Office of Basic Energy Sciences [DE-AC03-76SF000098]; NSF [NSF CHE-1012168]; DARPA [N66001-09-1-2026] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the USA Department of Energy under contract DE-AC02-05CH11231, the Division of Chemical Sciences, Geo-sciences and Biosciences Division, Office of Basic Energy Sciences through grant DE-AC03-76SF000098 (at LBNL and UC Berkeley), NSF under Contract No. NSF CHE-1012168, and DARPA under grant number N66001-09-1-2026. NR 28 TC 2 Z9 2 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD DEC 26 PY 2013 VL 117 IS 51 BP 16416 EP 16421 DI 10.1021/jp409352z PG 6 WC Chemistry, Physical SC Chemistry GA 284PH UT WOS:000329331800005 PM 24283795 ER PT J AU Devanathan, R Idupulapati, N Baer, MD Mundy, CJ Dupuis, M AF Devanathan, Ram Idupulapati, Nagesh Baer, Marcel D. Mundy, Christopher J. Dupuis, Michel TI Ab Initio Molecular Dynamics Simulation of Proton Hopping in a Model Polymer Membrane SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID FUEL-CELL MEMBRANES; PERFLUOROSULFONIC ACID MEMBRANE; ATOMISTIC SIMULATION; EXCHANGE MEMBRANES; ELECTROLYTE MEMBRANES; MESOSCALE SIMULATION; TRANSPORT-PROPERTIES; WATER PERCOLATION; HYDRATED NAFION; SOLVATION AB We report the results of ab initio molecular dynamics simulations of a model Nafion polymer membrane initially equilibrated using classical molecular dynamics simulations. We studied three hydration levels (lambda) of 3, 9, and 15 H2O/SO3- corresponding to dry, hydrated, and saturated fuel cell membrane, respectively. The barrier for proton transfer from the SO3--H3O+ contact ion pair to a solvent-separated ion pair decreased from 2.3 kcal/mol for lambda = 3 to 0.8 kcal/mol for lambda = 15. The barrier for proton transfer between two water molecules was in the range from 0.7 to 0.8 kcal/mol for the lambda values studied. The number of proton shuttling events between a pair of water molecules is an order of magnitude more than the number of proton hops across three distinct water molecules. The proton diffusion coefficient at lambda = 15 is about 0.9 x 10(-5) cm(2)/s, which is in good agreement with experiment and our previous quantum hopping molecular dynamics simulations. C1 [Devanathan, Ram; Idupulapati, Nagesh; Baer, Marcel D.; Mundy, Christopher J.; Dupuis, Michel] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Devanathan, R (reprint author), Pacific NW Natl Lab, Div Phys Sci, MS K2-01, Richland, WA 99352 USA. EM ram.devanathan@pnnl.gov RI Devanathan, Ram/C-7247-2008; Baer, Marcel/K-7664-2012 OI Devanathan, Ram/0000-0001-8125-4237; FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Linus Pauling Distinguished Postdoctoral Fellowship Program at Pacific Northwest National Laboratory (PNNL) FX This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. 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. M.D.B. is grateful for the support of the Linus Pauling Distinguished Postdoctoral Fellowship Program at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle. NR 53 TC 19 Z9 19 U1 3 U2 48 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD DEC 26 PY 2013 VL 117 IS 51 BP 16522 EP 16529 DI 10.1021/jp410229u PG 8 WC Chemistry, Physical SC Chemistry GA 284PH UT WOS:000329331800017 PM 24320080 ER PT J AU Parsons, HT Weinberg, CS Macdonald, LJ Adams, PD Petzold, CJ Strabala, TJ Wagner, A Heazlewood, JL AF Parsons, Harriet T. Weinberg, Cristina S. Macdonald, Lucy J. Adams, Paul D. Petzold, Christopher J. Strabala, Timothy J. Wagner, Armin Heazlewood, Joshua L. TI Golgi Enrichment and Proteomic Analysis of Developing Pinus radiata Xylem by Free-Flow Electrophoresis SO PLOS ONE LA English DT Article ID TRACHEID CELL-WALLS; COMPRESSION WOOD; CELLULOSE SYNTHASE; BIOSYNTHESIS; PROTEINS; EXPRESSION; DATABASE; POPLAR; LOCALIZATION; APPARATUS AB Our understanding of the contribution of Golgi proteins to cell wall and wood formation in any woody plant species is limited. Currently, little Golgi proteomics data exists for wood-forming tissues. In this study, we attempted to address this issue by generating and analyzing Golgi-enriched membrane preparations from developing xylem of compression wood from the conifer Pinus radiata. Developing xylem samples from 3-year-old pine trees were harvested for this purpose at a time of active growth and subjected to a combination of density centrifugation followed by free flow electrophoresis, a surface charge separation technique used in the enrichment of Golgi membranes. This combination of techniques was successful in achieving an approximately 200-fold increase in the activity of the Golgi marker galactan synthase and represents a significant improvement for proteomic analyses of the Golgi from conifers. A total of thirty known Golgi proteins were identified by mass spectrometry including glycosyltransferases from gene families involved in glucomannan and glucuronoxylan biosynthesis. The free flow electrophoresis fractions of enriched Golgi were highly abundant in structural proteins (actin and tubulin) indicating a role for the cytoskeleton during compression wood formation. The mass spectrometry proteomics data associated with this study have been deposited to the ProteomeXchange with identifier PXD000557. C1 [Weinberg, Cristina S.; Macdonald, Lucy J.; Strabala, Timothy J.; Wagner, Armin] Scion, Rotorua, New Zealand. [Parsons, Harriet T.; Adams, Paul D.; Petzold, Christopher J.; Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. [Parsons, Harriet T.; Adams, Paul D.; Petzold, Christopher J.; Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Heazlewood, JL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. EM jlheazlewood@lbl.gov RI Heazlewood, Joshua/A-2554-2008; Strabala, Timothy/B-4472-2008; Adams, Paul/A-1977-2013; Parsons, Harriet/J-9094-2016 OI Heazlewood, Joshua/0000-0002-2080-3826; Strabala, Timothy/0000-0002-0368-9400; Adams, Paul/0000-0001-9333-8219; Parsons, Harriet/0000-0003-1666-9123 FU AGMARDT Foundation; Royal Society of New Zealand; Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported in part by an AGMARDT Foundation postdoctoral fellowship to Cristina Weinberg and an International Mobility Fund Fellowship from the Royal Society of New Zealand. This work was conducted by the Joint BioEnergy Institute and is 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. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 42 TC 1 Z9 1 U1 2 U2 43 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD DEC 26 PY 2013 VL 8 IS 12 AR e84669 DI 10.1371/journal.pone.0084669 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 281QS UT WOS:000329116700114 PM 24416096 ER PT J AU Tari, LW Li, XM Trzoss, M Bensen, DC Chen, ZY Lam, T Zhang, JH Lee, SJ Hough, G Phillipson, D Akers-Rodriguez, S Cunningham, ML Kwan, BP Nelson, KJ Castellano, A Locke, JB Brown-Driver, V Murphy, TM Ong, VS Pillar, CM Shinabarger, DL Nix, J Lightstone, FC Wong, SE Nguyen, TB Shaw, KJ Finn, J AF Tari, Leslie W. Li, Xiaoming Trzoss, Michael Bensen, Daniel C. Chen, Zhiyong Thanh Lam Zhang, Junhu Lee, Suk Joong Hough, Grayson Phillipson, Doug Akers-Rodriguez, Suzanne Cunningham, Mark L. Kwan, Bryan P. Nelson, Kirk J. Castellano, Amanda Locke, Jeff B. Brown-Driver, Vickie Murphy, Timothy M. Ong, Voon S. Pillar, Chris M. Shinabarger, Dean L. Nix, Jay Lightstone, Felice C. Wong, Sergio E. Nguyen, Toan B. Shaw, Karen J. Finn, John TI Tricyclic GyrB/ParE (TriBE) Inhibitors: A New Class of Broad-Spectrum Dual-Targeting Antibacterial Agents SO PLOS ONE LA English DT Article ID TOPOISOMERASE-IV PARE; GYRASE B GYRB; DNA GYRASE; PYRROLOPYRIMIDINE INHIBITORS; AMINOBENZIMIDAZOLE CLASS; CRYSTAL-STRUCTURES; DISCOVERY; OPTIMIZATION; ANTIBIOTICS; VALIDATION AB Increasing resistance to every major class of antibiotics and a dearth of novel classes of antibacterial agents in development pipelines has created a dwindling reservoir of treatment options for serious bacterial infections. The bacterial type IIA topoisomerases, DNA gyrase and topoisomerase IV, are validated antibacterial drug targets with multiple prospective drug binding sites, including the catalytic site targeted by the fluoroquinolone antibiotics. However, growing resistance to fluoroquinolones, frequently mediated by mutations in the drug-binding site, is increasingly limiting the utility of this antibiotic class, prompting the search for other inhibitor classes that target different sites on the topoisomerase complexes. The highly conserved ATP-binding subunits of DNA gyrase (GyrB) and topoisomerase IV (ParE) have long been recognized as excellent candidates for the development of dual-targeting antibacterial agents with broad-spectrum potential. However, to date, no natural product or small molecule inhibitors targeting these sites have succeeded in the clinic, and no inhibitors of these enzymes have yet been reported with broad-spectrum antibacterial activity encompassing the majority of Gram-negative pathogens. Using structure-based drug design (SBDD), we have created a novel dual-targeting pyrimidoindole inhibitor series with exquisite potency against GyrB and ParE enzymes from a broad range of clinically important pathogens. Inhibitors from this series demonstrate potent, broad-spectrum antibacterial activity against Gram-positive and Gram-negative pathogens of clinical importance, including fluoroquinolone resistant and multidrug resistant strains. Lead compounds have been discovered with clinical potential; they are well tolerated in animals, and efficacious in Gram-negative infection models. C1 [Tari, Leslie W.; Li, Xiaoming; Trzoss, Michael; Bensen, Daniel C.; Chen, Zhiyong; Thanh Lam; Zhang, Junhu; Lee, Suk Joong; Hough, Grayson; Phillipson, Doug; Akers-Rodriguez, Suzanne; Cunningham, Mark L.; Kwan, Bryan P.; Nelson, Kirk J.; Castellano, Amanda; Locke, Jeff B.; Brown-Driver, Vickie; Ong, Voon S.; Shaw, Karen J.; Finn, John] Trius Therapeut, San Diego, CA USA. [Murphy, Timothy M.] ViviSource Labs, Waltham, MA USA. [Pillar, Chris M.; Shinabarger, Dean L.] Micromyx LLC, Kalamazoo, MI USA. [Nix, Jay] Beamline 4 2 2, Adv Light Source, Berkeley, CA USA. [Lightstone, Felice C.; Wong, Sergio E.; Nguyen, Toan B.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. RP Tari, LW (reprint author), Trius Therapeut, San Diego, CA USA. EM ltari@triusrx.com; jfinn@triusrx.com FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-JRNL-565619]; National Institute of Allergy and Infectious Diseases National Institutes of Health, Department of Health and Human Services [HHSN272200800042C] FX Part of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, LLNL-JRNL-565619. This project has been funded with Federal funds from the National Institute of Allergy and Infectious Diseases National Institutes of Health, Department of Health and Human Services, under Contract No. HHSN272200800042C. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 38 TC 24 Z9 25 U1 0 U2 17 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD DEC 26 PY 2013 VL 8 IS 12 AR e84409 DI 10.1371/journal.pone.0084409 PG 13 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 281QS UT WOS:000329116700105 PM 24386374 ER PT J AU Lance, MJ Unocic, KA Haynes, JA Pint, BA AF Lance, M. J. Unocic, K. A. Haynes, J. A. Pint, B. A. TI Effect of water vapor on thermally-grown alumina scales on Pt-modified and simple aluminide bond coatings SO SURFACE & COATINGS TECHNOLOGY LA English DT Article; Proceedings Paper CT 40th International Conference on Metallurgical Coatings and Thin Films (ICMCTF) CY APR 29-MAY 03, 2013 CL San Diego, CA SP Amer Vacuum Soc, Adv Surface Engn Div DE Photo-stimulated luminescence spectroscopy; PSLS; Oxidation; Bond coating; Alumina; TBC ID 1100 DEGREES-C; OXIDATION BEHAVIOR; OXIDE FORMATION; FORMING ALLOYS; STRESS; SUPERALLOY; ADHESION; AL2O3 AB Photo-stimulated luminescence spectroscopy (PSLS), 3D microscopy and focused ion beam cross-sections were used to study the effect of water vapor on the cyclic (1 h cycle time) oxidation behavior of simple and Pt-modified aluminide bond coatings on several superalloy substrates at 1125 degrees and 1150 degrees C. By tracking the same region over time, the change in surface roughness with thermal cycling could be attributed to large and small bond coating grains rising and sinking, respectively, with thermal cycling. Oxidation in air with 10% H2O showed a 0-37% increase in surface roughness compared to oxidation in dry air. Reducing the cycle temperature from 1150 degrees to 1125 degrees C, increased the thermal barrier coating lifetime by >4X but did not prevent bond coating rumpling. Compared to oxidation in dry air, PSLS identified more theta-Al2O3 formation on the Pt-modified aluminide bond coatings after 1 h at 1125 degrees or 1150 degrees C in air with 10% H2O but only minor differences in the residual stress after longer cyclic oxidation exposures. Stress histograms produced by PSLS mapping help to elucidate Al2O3 scale damage accumulation in each condition but did not clearly identify a mechanism for the effect of water vapor on coating performance. (C) 2013 Elsevier B.V. All rights reserved. C1 [Lance, M. J.; Unocic, K. A.; Haynes, J. A.; Pint, B. A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Lance, MJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM lancem@ornl.gov RI Pint, Bruce/A-8435-2008; Lance, Michael/I-8417-2016 OI Pint, Bruce/0000-0002-9165-3335; Lance, Michael/0000-0001-5167-5452 NR 24 TC 5 Z9 5 U1 2 U2 18 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0257-8972 J9 SURF COAT TECH JI Surf. Coat. Technol. PD DEC 25 PY 2013 VL 237 BP 2 EP 7 DI 10.1016/j.surfcoat.2013.06.041 PG 6 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA 300TX UT WOS:000330488000002 ER PT J AU Unocic, KA Pint, BA AF Unocic, Kinga A. Pint, Bruce A. TI Oxidation behavior of co-doped NiCrAl alloys in dry and wet air SO SURFACE & COATINGS TECHNOLOGY LA English DT Article; Proceedings Paper CT 40th International Conference on Metallurgical Coatings and Thin Films (ICMCTF) CY APR 29-MAY 03, 2013 CL San Diego, CA SP Amer Vacuum Soc, Adv Surface Engn Div DE NiCrAl; Reactive elements; alpha-Al2O3; Hf, Y, Ti and La segregation; Water vapor ID ALUMINA-FORMING ALLOYS; NICOCRALY ALLOYS; BOND COATS; COATINGS; SEGREGATION; PERFORMANCE; ADHERENCE; ADDITIONS; YTTRIUM; SYSTEMS AB Cast NiCrAl alloys with additions of Y, La, Hf and Ti were evaluated at 1100 degrees C in wet (10 and 50% H2O) and dry air (0% H2O) in order to optimize such dopants for superalloy bond coatings. The results suggest that the typical Y addition in most coatings could be replaced by La. Also, scale adhesion in cyclic testing was improved with the co-addition of Hf with La or Y. Ti was added to investigate its incorporation in coatings on superalloys containing significant Ti additions. Particularly with co-doped alloys, the addition of Ti had little effect on scale adhesion but did reduce the depth of internal oxidation. Water vapor increased spallation, especially for the least adherent alloys, such as Y,Ti-doped NiCrAl. For the co-doped compositions with Hf, water vapor had a limited effect on scale adhesion and on the alumina growth rate in isothermal exposures. In addition to specimen mass change, the extent of internal oxidation and the depletion of beta phase in the substrate were evaluated. Analytical transmission electron microscopy showed that Y, La and Hf co-segregated to the alumina scale grain boundaries and formed dopant-rich oxide precipitates in the scale. (C) 2013 Published by Elsevier B.V. C1 [Unocic, Kinga A.; Pint, Bruce A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Unocic, KA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM unocicka@ornl.gov RI Pint, Bruce/A-8435-2008 OI Pint, Bruce/0000-0002-9165-3335 NR 26 TC 15 Z9 15 U1 3 U2 20 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0257-8972 J9 SURF COAT TECH JI Surf. Coat. Technol. PD DEC 25 PY 2013 VL 237 BP 8 EP 15 DI 10.1016/j.surfcoat.2013.07.068 PG 8 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA 300TX UT WOS:000330488000003 ER PT J AU Haynes, JA Unocic, KA Lance, MJ Pint, BA AF Haynes, J. A. Unocic, K. A. Lance, M. J. Pint, B. A. TI Impact of superalloy composition, bond coat roughness and water vapor on TBC lifetime with HVOF NiCoCrAlYHfSi bond coatings SO SURFACE & COATINGS TECHNOLOGY LA English DT Article; Proceedings Paper CT 40th International Conference on Metallurgical Coatings and Thin Films (ICMCTF) CY APR 29-MAY 03, 2013 CL San Diego, CA SP Amer Vacuum Soc, Adv Surface Engn Div DE Bond coating; Oxidation; TBC; HVOF; Roughness; Lifetime ID THERMAL BARRIER COATINGS; ALUMINA-FORMING ALLOYS; OXIDATION BEHAVIOR; FAILURE MECHANISMS; RESISTANCE; SYSTEMS; SCALES; AL AB The performance of thermal barrier coating (TBC) specimens with superalloy 1483 and X4 substrates and high velocity oxy fuel (HVOF)-NiCoCrAlYHfSi bond coatings was evaluated in dry and wet air in 1 h furnace cycles at 1100 degrees C. Compared to a prior study of NiCoCrAlYHfSi bond coatings, the HVOF bond coatings were rougher R-a = 8 mu m, closer to commercial HVOF coatings. For TBC coatings on the X4 substrates cycled in air with 10% water vapor, increasing the roughness from R-a = 5 to 8 mu m had little effect on the average TBC lifetime. The presence of 10% water vapor reduced the average TBC lifetime for 1483 by 13%, however, in both wet and dry conditions, the lifetimes for this substrate were 30-50% below those observed for X4 substrates. This may be attributed to the lower Al content and higher Ti content in 1483. Roughness and residual stress in the alumina scale were measured on specimens without a ceramic top coating, but no effects were observed due to the change in substrate or the addition of water vapor. (C) 2013 Elsevier B.V. All rights reserved. C1 [Haynes, J. A.; Unocic, K. A.; Lance, M. J.; Pint, B. A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Haynes, JA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. EM haynesa@ornl.gov RI Pint, Bruce/A-8435-2008; Lance, Michael/I-8417-2016 OI Pint, Bruce/0000-0002-9165-3335; Lance, Michael/0000-0001-5167-5452 NR 26 TC 6 Z9 6 U1 0 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0257-8972 J9 SURF COAT TECH JI Surf. Coat. Technol. PD DEC 25 PY 2013 VL 237 BP 65 EP 70 DI 10.1016/j.surfcoat.2013.09.062 PG 6 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA 300TX UT WOS:000330488000010 ER PT J AU Biener, MM Biener, J Wang, YMM Shin, SJ Tran, IC Willey, TM Perez, FN Poco, JF Gammon, SA Fournier, KB van Buuren, AW Satcher, JH Hamza, AV AF Biener, Monika M. Biener, Juergen Wang, Yinmin M. Shin, Swanee J. Tran, Ich C. Willey, Trevor M. Perez, Frederic N. Poco, Jon F. Gammon, Stuart A. Fournier, Kevin B. van Buuren, Anthony W. Satcher, Joe H., Jr. Hamza, Alex V. TI Atomic Layer Deposition-Derived Ultra-Low-Density Composite Bulk Materials with Deterministic Density and Composition SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE ultra-low-density foam; aerogels; atomic layer deposition; core-shell composite material; titanium dioxide; zinc oxide; lasers; X-ray source ID ADVANCED PHOTON SOURCE; X-RAY-SCATTERING; NANOPOROUS SILICA; AEROGELS; PERFORMANCE; MONOLITHS; H2O; ZNO AB A universal approach for on-demand development of monolithic metal oxide composite bulk materials with air-like densities (<5 mg/cm(3)) is reported. The materials are fabricated by atomic layer deposition of titania (TiO2) or zinc oxide (ZnO) using the nanoscale architecture of 1 mg/cm(3) SiO2 aerogels formed by self-organization as a blueprint. This approach provides deterministic control over density and composition without affecting the nanoscale architecture of the composite material that is otherwise very difficult to achieve. We found that these materials provide laser-to-X-ray conversion efficiencies of up to 5.3%, which is the highest conversion efficiency yet obtained from any foam-based target, thus opening the door to a new generation of highly efficient laser-induced nanosecond scale multi-keV X-ray sources. C1 [Biener, Monika M.; Biener, Juergen; Wang, Yinmin M.; Shin, Swanee J.; Tran, Ich C.; Willey, Trevor M.; Perez, Frederic N.; Poco, Jon F.; Gammon, Stuart A.; Fournier, Kevin B.; van Buuren, Anthony W.; Satcher, Joe H., Jr.; Hamza, Alex V.] Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. RP Biener, MM (reprint author), Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, 7000 East Ave, Livermore, CA 94550 USA. EM biener3@llnl.gov RI Tran, Ich/C-9869-2014; Willey, Trevor/A-8778-2011; Wang, Yinmin (Morris)/F-2249-2010 OI Willey, Trevor/0000-0002-9667-8830; Wang, Yinmin (Morris)/0000-0002-7161-2034 FU U.S. Department of Energy by LLNL [DE-AC52-07NA27344]; LDRD Program at LLNL [13-LWD-031]; NSF; DOE [NSF/CHE-0822838]; DOE BES [DE-AC02-06CH11357] FX Work at Lawrence Livermore National Laboratory (LLNL) was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344. Project 13-LWD-031 was funded by the LDRD Program at LLNL. ChemMatCARS is supported by NSF and DOE under grant NSF/CHE-0822838. APS is supported by the DOE BES, under contract DE-AC02-06CH11357. NR 38 TC 4 Z9 4 U1 3 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD DEC 25 PY 2013 VL 5 IS 24 BP 13129 EP 13134 DI 10.1021/am4041543 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 281YR UT WOS:000329137400049 PM 24283629 ER PT J AU Oakes, L Westover, A Mahjouri-Samani, M Chatterjee, S Puretzky, AA Rouleau, C Geohegan, DB Pint, CL AF Oakes, Landon Westover, Andrew Mahjouri-Samani, Masoud Chatterjee, Shahana Puretzky, Alexander A. Rouleau, Christopher Geohegan, David B. Pint, Cary L. TI Uniform, Homogenous Coatings of Carbon Nanohorns on Arbitrary Substrates from Common Solvents SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE carbon nanohorns; electrophoretic deposition; gas sensing coatings; three-dimensional foams ID ELECTROPHORETIC DEPOSITION; NANOTUBE FILMS; GRAPHENE; INFILTRATION; GAS; ELECTRODEPOSITION; SUSPENSIONS; CERAMICS; KINETICS; BEHAVIOR AB We demonstrate a facile technique to electrophoretically deposit homogenous assemblies of single-walled carbon nanohorns (CNHs) from common solvents such as acetone and water onto nearly any substrate including insulators, dielectrics, and three-dimensional metal foams, in many cases without the aid of surfactants. This enables the generation of pristine film-coatings formed on time scales as short as a few seconds and on three-dimensional templates that enable the formation of freestanding polymer-CNH supported materials. As electrophoretic deposition is usually only practical on conductive electrodes, we emphasize our observation of efficient deposition on nearly any material, including nonconductive substrates. The one-step versatility of deposition on these materials provides the capability to directly assemble CNH materials onto functional surfaces for a broad range of applications. In this manner, we utilized as-deposited CNH films as conductometric gas sensors exhibiting better sensitivity in comparison to equivalent single-walled carbon nanotube sensors. This gives a route toward scalable and inexpensive solution-based processing routes to manufacture functional nanocarbon materials for catalysis, energy, and sensing applications, among others. C1 [Oakes, Landon; Westover, Andrew; Chatterjee, Shahana; Pint, Cary L.] Vanderbilt Univ, Dept Mech Engn, Nashville, TN 37235 USA. [Oakes, Landon; Westover, Andrew; Pint, Cary L.] Vanderbilt Univ, Interdisciplinary Mat Sci Program, Nashville, TN 37235 USA. [Mahjouri-Samani, Masoud; Puretzky, Alexander A.; Rouleau, Christopher; Geohegan, David B.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA. [Mahjouri-Samani, Masoud; Puretzky, Alexander A.; Rouleau, Christopher; Geohegan, David B.] Oak Ridge Natl Lab, Div Mat Sci, Oak Ridge, TN USA. RP Pint, CL (reprint author), Vanderbilt Univ, Dept Mech Engn, Nashville, TN 37235 USA. EM cary.l.pint@vanderbilt.edu RI Mahjouri-Samani, Masoud/Q-2239-2015; Rouleau, Christopher/Q-2737-2015; Pint, Cary/I-6785-2013; Puretzky, Alexander/B-5567-2016; Geohegan, David/D-3599-2013; OI Mahjouri-Samani, Masoud/0000-0002-6080-7450; Rouleau, Christopher/0000-0002-5488-3537; Puretzky, Alexander/0000-0002-9996-4429; Geohegan, David/0000-0003-0273-3139; Westover, Andrew/0000-0002-5738-1233 FU Vanderbilt start-up funding; Oak Ridge Associated Universities Powe Award; Materials Sciences and Engineering (MSE) Division, Office of Basic Energy Sciences, U.S. Department of Energy; Oak Ridge National Laboratory by the Scientific User Facilities (SUF) Division, U.S. Department of Energy FX This work was supported by Vanderbilt start-up funding and an Oak Ridge Associated Universities Powe Award. CNH synthesis science was sponsored by the Materials Sciences and Engineering (MSE) Division, Office of Basic Energy Sciences, U.S. Department of Energy. Characterization science including Raman spectroscopy, SEM, and TEM part of this research was conducted at the Center for Nanophase Materials Sciences user facility, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities (SUF) Division, U.S. Department of Energy. NR 56 TC 10 Z9 10 U1 3 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD DEC 25 PY 2013 VL 5 IS 24 BP 13153 EP 13160 DI 10.1021/am404118z PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 281YR UT WOS:000329137400053 PM 24294993 ER PT J AU de la Hoz, JMM Leung, K Balbuena, PB AF de la Hoz, Julibeth M. Martinez Leung, Kevin Balbuena, Perla B. TI Reduction Mechanisms of Ethylene Carbonate on Si Anodes of Lithium-Ion Batteries: Effects of Degree of Lithiation and Nature of Exposed Surface SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE solid electrolyte interphase reaction; ab initio molecular dynamics; solvent reduction; Li-ion batteries ID INITIO MOLECULAR-DYNAMICS; DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; HIGH-PRESSURE SYNTHESIS; AUGMENTED-WAVE METHOD; LI-ION; ELECTROCHEMICAL PERFORMANCE; ELECTRONIC-STRUCTURE; VINYLENE CARBONATE; BASIS-SET AB Ab initio molecular dynamics simulations are used to identify mechanisms of reduction of ethylene carbonate on Si surfaces at various degrees of lithiation, where the low-coordinated surface Si atoms are saturated with 0, OH, or H functional groups. The lowest Si content surfaces are represented by quasi-amorphous LiSi4 and LiSi2; intermediate lithiation is given by LiSi crystalline facets, and the highest Li content is studied through Li13Si4 surfaces. It is found that ethylene carbonate (EC) reduction mechanisms depend significantly on the degree of lithiation of the surface. On LiSi surfaces EC is reduced according to two different two-electron mechanisms (one simultaneous and one sequential), which are independent of specific surface functionalization or nature of exposed facets. On the less lithiated surfaces, the simultaneous two-electron reduction is found more frequently. In that mechanism, the EC reduction is initiated by the formation of a C-Si bond that allows adsorption of the intact molecule to the surface and is followed by electron transfer and ring-opening. Strongly lithiated Li13Si4 surfaces are found to be highly reactive. Reduction of adsorbed EC molecules occurs via a four-electron mechanism yielding as reduction products CO2- and O(C2H4)O2-. Direct transfer of two electrons to EC molecules in liquid phase is also possible, resulting in the presence of O(C2H4)OCO2- anions in the liquid phase. C1 [de la Hoz, Julibeth M. Martinez; Balbuena, Perla B.] Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA. [de la Hoz, Julibeth M. Martinez; Balbuena, Perla B.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. [Leung, Kevin] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Balbuena, PB (reprint author), Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA. EM balbuena@tamu.edu 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 [7060634]; U.S. Department of Energy National Nuclear Security Administration [DE-AC04-94AL85000] FX J.M.M. and P.B.B. were supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy, under Contract No. DE-AC02-05CH11231, Subcontract No. 7060634, under the Batteries for Advanced Transportation Technologies (BATT) Program. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy National Nuclear Security Administration under Contract DE-AC04-94AL85000. Computational resources from Texas A&M Supercomputing Center, Brazos Supercomputing Cluster at Texas A&M University, and from Texas Advanced Computing Center at UT Austin are gratefully acknowledged. NR 44 TC 21 Z9 21 U1 7 U2 54 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD DEC 25 PY 2013 VL 5 IS 24 BP 13457 EP 13465 DI 10.1021/am404365r PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 281YR UT WOS:000329137400089 ER PT J AU Cao, BF Veith, GM Neuefeind, JC Adzic, RR Khalifah, PG AF Cao, Bingfei Veith, Gabriel M. Neuefeind, Joerg C. Adzic, Radoslav R. Khalifah, Peter G. TI Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal Electrocatalysts for the Hydrogen Evolution Reaction SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MAGNETIC CHARACTERIZATION; NICKEL; NANOSHEETS; SURFACES; CELLS; MOS2 AB A two-step solid-state reaction for preparing cobalt molybdenum nitride with a nanoscale morphology has been used to produce a highly active and stable electrocatalyst for the hydrogen evolution reaction (HER) under acidic conditions that achieves an iR-corrected current density of 10 mA cm(-2) at -0.20 V vs RHE at low catalyst loadings of 0.24 mg/cm(2) in rotating disk experiments under a H-2 atmosphere. Neutron powder diffraction and pair distribution function (PDF) studies have been used to overcome the insensitivity of X-ray diffraction data to different transition-metal nitride structural polytypes and show that this cobalt molybdenum nitride crystallizes in space group P6(3)/mmc with lattice parameters of a = 2.85176(2) angstrom and c = 10.9862(3) angstrom and a formula of Co0.6Mo1.4N2. This space group results from the four-layered stacking sequence of a mixed close-packed structure with alternating layers of transition metals in octahedral and trigonal prismatic coordination and is a structure type for which HER activity has not previously been reported. Based on the accurate bond distances obtained from time-of-flight neutron diffraction data, it is determined that the octahedral sites contain a mixture of divalent Co and trivalent Mo, while the trigonal prismatic sites contain Mo in a higher oxidation state. X-ray photoelectron spectroscopy (XPS) studies confirm that at the sample surface nitrogen is present and N-H moieties are abundant. C1 [Cao, Bingfei; Khalifah, Peter G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Cao, Bingfei; Adzic, Radoslav R.; Khalifah, Peter G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11793 USA. [Veith, Gabriel M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Neuefeind, Joerg C.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. RP Khalifah, PG (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM kpete@bnl.gov RI Neuefeind, Joerg/D-9990-2015 OI Neuefeind, Joerg/0000-0002-0563-1544 FU U.S. Department of Energy [DEAC02-98CH10886]; BNL LDRD [10-0012]; American Chemical Society; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was carried out at BNL under Contract No. DEAC02-98CH10886 with the U.S. Department of Energy, both in the Chemistry Department and in the Center for Functional Nanomaterials user facility. Primary funding was provided by BNL LDRD 10-0012 (P.G.K., R.R.A.). Acknowledgment is made to the Donors of the American Chemical Society Petroleum Research Fund for partial support of this research (P.G.K.). Research conducted at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. 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. The research was partially supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division (G.M.V.). We thank Y. Zhang and J. Wang (BNL) for assistance with caron paper measurements and insightful discussions. NR 24 TC 219 Z9 220 U1 67 U2 476 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD DEC 25 PY 2013 VL 135 IS 51 BP 19186 EP 19192 DI 10.1021/ja4081056 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 281YQ UT WOS:000329137300030 PM 24175858 ER PT J AU Gellman, AJ Huang, Y Feng, X Pushkarev, VV Holsclaw, B Mhatre, BS AF Gellman, Andrew J. Huang, Ye Feng, Xu Pushkarev, Vladimir V. Holsclaw, Brian Mhatre, Bharat S. TI Superenantioselective Chiral Surface Explosions SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ENANTIOSPECIFIC DESORPTION; CRYSTALLINE SURFACES; METAL-SURFACES; ADSORPTION; CHEMISTRY; CU(643); CU(531)(R-AND-S); CU(643)(R-AND-S); DECOMPOSITION AB Chiral inorganic materials predated life on Earth, and their enantiospecific surface chemistry may have played a role in the origins of biomolecular homochirality. However, enantiospecific differences in the interaction energies of chiral molecules with chiral surfaces are small and typically lead to modest enantioselectivities in adsorption, catalysis, and chemistry on chiral surfaces. To yield high enantioselectivities, small energy differences must be amplified by reaction mechanisms such as autocatalytic surface explosions which have nonlinear kinetics. Herein, we report the first observations of superenantiospecificity resulting from an autocatalytic surface explosion reaction of a chiral molecule on a naturally chiral surface. R,R- and S,S-tartaric acid decompose via a vacancy-mediated surface explosion mechanism on Cu single crystal surfaces. When coupled with surface chirality, this leads to decomposition rates that exhibit extraordinarily high enantiospecificity. On the enantiomorphs of naturally chiral Cu(643)(R&S), Cu(17,5,1)(R&S), Cu(531)(R&S) and Cu(651)(R&S) single crystal surfaces, R,R- and S,S-tartaric acid exhibit enantiospecific decomposition rates that differ by as much as 2 orders of magnitude, despite the fact that the effective rates constants for decomposition differ by less than a factor of 2. C1 [Gellman, Andrew J.; Huang, Ye; Feng, Xu; Pushkarev, Vladimir V.; Holsclaw, Brian; Mhatre, Bharat S.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Gellman, Andrew J.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Gellman, AJ (reprint author), Carnegie Mellon Univ, Dept Chem Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM gellman@cmu.edu RI Gellman, Andrew/M-2487-2014; Feng, Xu/D-5375-2016; OI Gellman, Andrew/0000-0001-6618-7427; Feng, Xu/0000-0003-1945-1605; Holsclaw, Brian/0000-0002-7501-8411 FU US Department of Energy [DE-FG02-12ER16330] FX This work has been supported by the US Department of Energy through Grant No. DE-FG02-12ER16330. A.J.G. acknowledges the hospitality of the Fritz-Haber Institute during the preparation of this manuscript. NR 34 TC 19 Z9 19 U1 4 U2 71 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD DEC 25 PY 2013 VL 135 IS 51 BP 19208 EP 19214 DI 10.1021/ja408659v PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 281YQ UT WOS:000329137300032 PM 24261645 ER PT J AU Chen, MS Lee, OP Niskala, JR Yiu, AT Tassone, CJ Schmidt, K Beaujuge, PM Onishi, SS Toney, MF Zettl, A Frechet, JMJ AF Chen, Mark S. Lee, Olivia P. Niskala, Jeremy R. Yiu, Alan T. Tassone, Christopher J. Schmidt, Kristin Beaujuge, Pierre M. Onishi, Seita S. Toney, Michael F. Zettl, Alex Frechet, Jean M. J. TI Enhanced Solid-State Order and Field-Effect Hole Mobility through Control of Nanoscale Polymer Aggregation SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID THIN-FILM TRANSISTORS; DONOR-ACCEPTOR POLYMER; BAND-GAP POLYMERS; CONJUGATED POLYMER; CHARGE-TRANSPORT; ORGANIC SEMICONDUCTORS; INTEGRATED-CIRCUITS; SOLAR-CELLS; SIDE-CHAINS; ALPHA-OLIGOFURANS AB Efficient charge carrier transport in organic field-effect transistors (OFETs) often requires thin films that display long-range order and close pi-pi packing that is oriented in-plane with the substrate. Although some polymers have achieved high field-effect mobility with such solid-state properties, there are currently few general strategies for controlling the orientation of pi-stacking within polymer films. In order to probe structural effects on polymer-packing alignment, furan-containing diketopyrrolopyrrole (DPP) polymers with similar optoelectronic properties were synthesized with either linear hexadecyl or branched 2-butyloctyl side chains. Differences in polymer solubility were observed and attributed to variation in side-chain shape and polymer backbone curvature. Averaged field-effect hole mobilities of the polymers range from 0.19 to 1.82 cm(2)/V.s, where PDPP3F-C16 is the least soluble polymer and provides the highest maximum mobility of 2.25 cm(2)/V.s. Analysis of the films by AFM and GIXD reveal that less soluble polymers with linear side chains exhibit larger crystalline domains, pack considerably more closely, and align with a greater preference for in-plane pi-pi packing. Characterization of the polymer solutions prior to spin-coating shows a correlation between early onset nanoscale aggregation and the formation of films with highly oriented in-plane 7r-stacking. This effect is further observed when nonsolvent is added to PDPP3F-BO solutions to induce aggregation, which results in films with increased nanostructural order, in-plane pi-pi orientation, and field-effect hole mobilities. Since nearly all pi-conjugated materials may be coaxed to aggregate, this strategy for enhancing solid-state properties and OFET performance has applicability to a wide variety of organic electronic materials. C1 [Chen, Mark S.; Lee, Olivia P.; Niskala, Jeremy R.; Onishi, Seita S.; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yiu, Alan T.; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Onishi, Seita S.; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Chen, Mark S.; Lee, Olivia P.; Niskala, Jeremy R.; Yiu, Alan T.; Onishi, Seita S.; Zettl, Alex; Frechet, Jean M. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Onishi, Seita S.; Zettl, Alex] Univ Calif Berkeley, Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA. [Tassone, Christopher J.; Schmidt, Kristin; Toney, Michael F.] Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Beaujuge, Pierre M.; Frechet, Jean M. J.] King Abdullah Univ Sci & Technol, Thuwal 239556900, Saudi Arabia. RP Chen, MS (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mschen@berkeley.edu; jean.frechet@kaust.edu.sa RI Zettl, Alex/O-4925-2016; OI Zettl, Alex/0000-0001-6330-136X; Frechet, Jean /0000-0001-6419-0163 FU Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; Center for Advanced Molecular Photovoltaics (CAMP) [KUS-C1-015-21]; King Abdullah University of Science and Technology (KAUST); Frechet "various gifts" fund; Camille and Henry Dreyfus Postdoctoral Program in Environmental Chemistry FX This work was supported in part by the Director, Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231, within the SP2-bonded Materials Program, which provided for device fabrication and electrical characterization, the Center for Advanced Molecular Photovoltaics (CAMP) under award no. KUS-C1-015-21, supported by King Abdullah University of Science and Technology (KAUST), and the Frechet "various gifts" fund for the support of research in new materials. Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource user facility, operated on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. M.S.C. thanks the Camille and Henry Dreyfus Postdoctoral Program in Environmental Chemistry for a fellowship. NR 85 TC 69 Z9 69 U1 9 U2 120 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD DEC 25 PY 2013 VL 135 IS 51 BP 19229 EP 19236 DI 10.1021/ja4088665 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 281YQ UT WOS:000329137300035 PM 24295228 ER PT J AU Liu, F Wang, C Baral, JK Zhang, L Watkins, JJ Briseno, AL Russell, TP AF Liu, Feng Wang, Cheng Baral, Jayanta K. Zhang, Lei Watkins, James J. Briseno, Alejandro L. Russell, Thomas P. TI Relating Chemical Structure to Device Performance via Morphology Control in Diketopyrrolopyrrole-Based Low Band Gap Polymers SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID THIN-FILM TRANSISTORS; FIELD-EFFECT TRANSISTORS; ORGANIC SOLAR-CELLS; HIGH-MOBILITY; CONJUGATED POLYMERS; EFFICIENCY; SEMICONDUCTORS; POLYTHIOPHENES; PHOTOVOLTAICS; COPOLYMERS AB We investigated the structure-morphology-performance relationship of diketopyrrolopyrrole (DPP)-based low band gap polymers with different donor cores in organic field effect transistors (OFETs) and organic photovoltaics (OPVs). The change in the chemical structure led to strong physical property differences, such as crystalline behavior, blend morphology, and device performance. In addition, the choice of solvents and additives enabled one to fine tune the properties of these materials in the condensed state. For instance, when thin films were processed from solvent mixtures, both in the pure polymer and in a blend, we observed an enhanced edge-on orientation and the formation of thinner and longer polymer fibrils. In the BHJ blends, processing from a solvent mixture reduced the size scale of the Phase separation and promoted the formation of a fibrillar network morphology, having a polymer-PCBM mixture filling the interfibrillar regions. The characteristic length scale of the fibrillar network dictated the specific inner surface area, which directly correlated to the performance in the OPV devices. When the BHJ mixture was processed from a single solvent, a large-scale phase separated morphology was observed that was stratified, normal to the film surface. A strong scattering anisotropy was observed in the resonant soft X-ray scattering of the blends that provided insight into the packing of the polymer chains within the fibrils. The morphology and performance trend in OPVs paralleled the performance in an OFET, suggesting that similar processing conditions should be considered in OFET fabrication. C1 [Liu, Feng; Baral, Jayanta K.; Zhang, Lei; Watkins, James J.; Briseno, Alejandro L.; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Wang, Cheng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Briseno, AL (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. EM abriseno@mail.pse.umass.edu; tom.p.russell@gmail.com RI Wang, Cheng/A-9815-2014; Liu, Feng/J-4361-2014 OI Liu, Feng/0000-0002-5572-8512 FU Department of Energy [DOE DE-SC0001087]; DOE, Office of Science, and Office of Basic Energy Sciences FX This work was supported by the Department of Energy supported Energy Frontier Research Center at the University of Massachusetts (DOE DE-SC0001087). L.Z. and A.L.B. thank the National Science Foundation for partial support in synthesizing some monomers for this work. Portions of this research were carried out at the Advanced Light Source, Berkeley National Laboratory, which was supported by the DOE, Office of Science, and Office of Basic Energy Sciences. We thank J. Tumbleston, H. Ade at NCSU for STXM measurement and A. Hexemer, E. Schaible, and A. Young at LBNL for assisting in the experiments. NR 43 TC 57 Z9 57 U1 9 U2 169 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD DEC 25 PY 2013 VL 135 IS 51 BP 19248 EP 19259 DI 10.1021/ja408923y PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 281YQ UT WOS:000329137300037 PM 24295031 ER PT J AU Dai, YY Yang, L Nie, JL Fan, KM Peng, SM Long, XG Zhou, XS Bing, WZ Zu, XT Gao, F AF Dai, Yunya Yang, Li Nie, Jinlan Fan, Kaimin Peng, Shuming Long, Xinggui Zhou, Xiaosong Bing, Wenzeng Zu, Xiaotao Gao, Fei TI Mechanical and electronic properties of A(1-x)B(x)H(y) (A and B = Ti, Zr, Hf) hydride alloys: A first-principles study SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Metal hydrides; Ab initio calculation; Mechanical properties; Electronic properties; Hydride alloys ID AUGMENTED-WAVE METHOD; X-RAY-DIFFRACTION; AB-INITIO; TITANIUM; ZIRCONIUM; HAFNIUM; DIHYDRIDES; DISTORTION; STABILITY AB Using ab initio calculations, we investigated the mechanical and electronic properties of Ti1-xHfxHy, Ti1-xZrxHy and Zr1-xHfxTHy (x = 0, 0.25, 0.5, 0.75, 1; y = 1.5, 1.75, 2). The calculated results in binary hydrides show that the beta-phase MH1.5[1 0 0] (M = Ti, Zr, Hf) are more stable than other possible structures. At the Fermi level, the density of states for metal d state increases with increasing the H concentration in MHy (y ranged from 1.5 to 2), which leads to the instability of their fcc structures and induces the tetragonal distortion. Ti0.75Hf0.25H1.5 and Zr0.25Hf0.75H1.5 exhibit the highest mechanical stability, while Ti0.25Zr0.75H1.5 has the lowest mechanical stability among the corresponding ternary systems considered. Moreover, the systems studied in the present work are all anisotropic and show a ductile behavior. The tetragonal distortion in Ti1-xHfxH1.5, Ti1-xZrxH1.5 and Zr1-xHfxH1.5 is not observed, retaining their fcc structures. The electronic structure of A(1-x)B(x)H(y) (A and B = Ti, Hf, Zr) exhibits metallic character. (C) 2013 Elsevier B. V. All rights reserved. C1 [Dai, Yunya; Yang, Li; Nie, Jinlan; Zu, Xiaotao] Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China. [Fan, Kaimin] Sichuan Univ Arts & Sci, Dept Phys & Engn Technol, Dazhou 635000, Peoples R China. [Peng, Shuming; Long, Xinggui; Zhou, Xiaosong; Bing, Wenzeng] China Acad Engn Phys, Inst Nucl Phys & Chem, Mianyang 621900, Peoples R China. [Gao, Fei] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Yang, L (reprint author), Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China. EM yanglildk@uestc.edu.cn; fei.gao@pnnl.gov FU Fundamental Research Funds for the Central Universities; National Natural Science Foundation of China-NSAF [10976007]; National Natural Science Foundation of China [51201026]; Science and Technology Foundation of China Academy of Engineering Physics [2010A0301011]; US Department of Energy, Office of Fusion Energy Science [DE-AC06-76RLO 1830] FX Y.Y. Dai, L. Yang and X.T. Zu are grateful for the support by the Fundamental Research Funds for the Central Universities and the National Natural Science Foundation of China-NSAF (Grant No: 10976007). J.L. Nie is grateful for the support by the National Natural Science Foundation of China (Project No. 51201026). S.M. Peng, X.G. Long and X.S. Zhou are grateful for the Science and Technology Foundation of China Academy of Engineering Physics (Grant No: 2010A0301011). F. Gao is grateful for the support by the US Department of Energy, Office of Fusion Energy Science, under Contract DE-AC06-76RLO 1830. NR 34 TC 3 Z9 3 U1 1 U2 47 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD DEC 25 PY 2013 VL 581 BP 404 EP 412 DI 10.1016/j.jallcom.2013.07.117 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 223QS UT WOS:000324823000068 ER PT J AU Soderlind, P Landa, A Yang, LH Teweldeberhan, AM AF Soederlind, Per Landa, Alex Yang, Lin H. Teweldeberhan, Amanuel M. TI First-principles phase stability in the Ti-V alloy system SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Transition metals; Phase stability; Alloys; Phonons; Density-functional theory ID CRYSTAL-STRUCTURE; NB AB Phase stability in the transition metals are mostly dictated by the bonding of the d electrons and is believed to be fairly well understood from either a canonical-band picture or a tight-binding model. These models are related and capture the fact that as one proceeds through the nonmagnetic d-transition series one encounters the hexagonal close-packed (hcp), body-centered cubic (bcc), hcp, and face-centered cubic (fcc) phases. This structural sequence depends on the gradual filling of the d band (roughly one electron per atomic number increase) that is altered when magnetism is present simply due to the spin polarization of the d band. However, recent more careful experimental and theoretical studies have shown that the aforementioned appealing models do not entirely explain the bonding and phase stability in the transition metals. First, there is a destabilization of the bcc phase due to pressure in the Group Vb metals (V, Nb, and Ta) and second, a temperature-induced stabilization of the bcc phase in the Group IVb (Ti, Zr, and Hf) metals even though at low temperatures it is strongly unstable. Here we address the latter phenomenon and study the influence of alloying titanium with its next neighbor vanadium by applying the recently developed self-consistent ab initio lattice dynamics (SCAILD) approach that has heretofore never been utilized for an alloy system. (C) 2013 Elsevier B.V. All rights reserved. C1 [Soederlind, Per; Landa, Alex; Yang, Lin H.; Teweldeberhan, Amanuel M.] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. RP Landa, A (reprint author), Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA. EM landa1@llnl.gov FU U.S. DOE by LLNL [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [11-ER-033] FX We thank O. Eriksson, P. Souvatzis, B. Johansson, and B. Grabowski for enriching discussions. Computing support for this work came from the LLNL Computing Grand Challenge program. This work performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344 and funded by the Laboratory Directed Research and Development Program at LLNL under project tracking code 11-ER-033. NR 19 TC 4 Z9 4 U1 6 U2 58 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD DEC 25 PY 2013 VL 581 BP 856 EP 859 DI 10.1016/j.jallcom.2013.07.138 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 223QS UT WOS:000324823000143 ER PT J AU Yanguas-Gil, A Libera, JA Elam, JW AF Yanguas-Gil, Angel Libera, Joseph A. Elam, Jeffrey W. TI Modulation of the Growth Per Cycle in Atomic Layer Deposition Using Reversible Surface Functionalization SO CHEMISTRY OF MATERIALS LA English DT Article DE atomic layer deposition; trimethylaluminum; surface reactivity; surface site density; adsorption; surface functionalization; self-limited ligand-exchange ID OXIDE THIN-FILMS; TITANIUM-DIOXIDE; ALUMINA; SPECTROSCOPY; CHEMISTRY; MECHANISM; TRIMETHYLALUMINUM; ETHANOL; OXYGEN; INHIBITION AB A methodology to modulate precursor-surface reactivity and tailor the growth per cycle in Atomic Layer Deposition (ALD) is described. Our approach relies on in situ surface functionalization to control the density of reactive sites on the growing surface using the sequential dosing of a surface inhibitor, the ALD precursor, and the coreactant. Here we apply this methodology to ALD processes based on alkyl, cyclopentadienyl, halide, alkylamido, alkoxide, and beta-diketonate precursors, and a wide-range of inhibitors, including alkyl alcohols, ketones, carboxylic acids, and beta-diketones, in all cases resulting in a modulation of the growth per cycle because of the presence of functional groups on the surface. Mechanistic studies carried out using in situ quartz crystal microbalance and in situ surface-and gas phase-infrared absorption spectroscopy show that the underlying mechanism can be more complex than the surface site-blocking previously invoked to explain growth inhibition during chemical vapor deposition. For trimethylaluminum, our results are consistent with the presence of self-limited ligand-exchange between the precursor and adsorbed alkoxy moieties, leading to the formation of volatile alkyl alkoxy aluminum compounds as reaction byproducts, all while maintaining the self-limiting nature of the inhibition process. C1 [Yanguas-Gil, Angel; Libera, Joseph A.; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Elam, JW (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jelam@anl.gov RI Yanguas-Gil, Angel/G-9630-2011 OI Yanguas-Gil, Angel/0000-0001-8207-3825 FU U.S. DOE, EERE-Industrial Technologies Program [FWP-4902A]; Institute for Atom-efficient Chemical Transformations (TACT), an Energy Frontier Research Center; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Science FX This work was sponsored by the U.S. DOE, EERE-Industrial Technologies Program under FWP-4902A. J.W.E. was supported as part of the Institute for Atom-efficient Chemical Transformations (TACT), an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Science. NR 41 TC 6 Z9 6 U1 4 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD DEC 24 PY 2013 VL 25 IS 24 BP 4849 EP 4860 DI 10.1021/cm4029098 PG 12 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 281YV UT WOS:000329137800003 ER PT J AU Veith, GM Lupini, AR Baggetto, L Browning, JF Keum, JK Villa, A Prati, L Papandrew, AB Goenaga, GA Mullins, DR Bullock, SE Dudney, NJ AF Veith, Gabriel M. Lupini, Andrew R. Baggetto, Loic Browning, James F. Keum, Jong K. Villa, Alberto Prati, Laura Papandrew, Alexander B. Goenaga, Gabriel A. Mullins, David R. Bullock, Steven E. Dudney, Nancy J. TI Evidence for the Formation of Nitrogen-Rich Platinum and Palladium Nitride Nanoparticles SO CHEMISTRY OF MATERIALS LA English DT Article DE precious metal nitride; reactive sputtering; metal-nitride; nitrogen-rich; gas-phase formation; size-dependent composition ID TRANSITION-METAL NITRIDES; ROTATING-DISK ELECTRODE; CATALYTIC-ACTIVITY; FUEL-CELLS; GOLD NANOPARTICLES; VISIBLE-LIGHT; THIN-FILM; REDUCTION; DEPOSITION; MOLYBDENUM AB We report evidence for the formation of nitrogen-rich precious metal nanoparticles (Pt, Pd) prepared by reactive sputtering of the pure metal in a N-2 plasma. The composition of the nanoparticles varies as a function of particle size and growth conditions. For the smallest particles the nitrogen content appears to be as high as 6.7 N atoms for each Pd atom or 5.9 N atoms for each Pt atom whereas bulk films have nominal compositions of Pt7.3N and Pd2.5N. The unusually large N content in the nanoparticles is balanced with H. The nanoparticles are metastable in air and moisture, slowly decomposing over several years. The catalytic properties of these N-rich nanoparticles were accessed by rotating disk electrode electrochemical studies, the liquid phase oxidation of benzyl alcohol, and gas phase CO oxidation, and support the experimental evidence for the materials composition. C1 [Veith, Gabriel M.; Lupini, Andrew R.; Baggetto, Loic; Dudney, Nancy J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Browning, James F.; Keum, Jong K.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Mullins, David R.] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. [Villa, Alberto; Prati, Laura] Univ Milan, Dipartimento Chim, I-20133 Milan, Italy. [Papandrew, Alexander B.; Goenaga, Gabriel A.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Bullock, Steven E.] Lockheed Martin, Marietta, GA 30063 USA. RP Veith, GM (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM veithgm@ornl.gov RI Villa, Alberto/H-7355-2013; Browning, James/C-9841-2016; Dudney, Nancy/I-6361-2016; Keum, Jong/N-4412-2015; Prati, Laura/Q-3970-2016; Baggetto, Loic/D-5542-2017 OI Villa, Alberto/0000-0001-8656-6256; Browning, James/0000-0001-8379-259X; Dudney, Nancy/0000-0001-7729-6178; Keum, Jong/0000-0002-5529-1373; Prati, Laura/0000-0002-8227-9505; Baggetto, Loic/0000-0002-9029-2363 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; U.S. Department of Energy; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725]; Oak Ridge National Laboratory; U.S. Department of Energy, Office of Science, Office of Basic Energy Science [DE-AC02-98CH10886]; Synchrotron Catalysis Consortium [DE-FG02-05ER15688]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; National Science Foundation through TN-SCORE [NSF EPS-1004083]; University of Tennessee's Governor's Chair Fund FX The majority of this work (G.M.V., L.B.) was supported 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. Electron microscopy at Oak Ridge National Laboratory (A.RL.) supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. D.R.M. (XAS) was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. EXAFS experiments were conducted at the National Synchrotron Light Source, Brookhaven National Laboratory, supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-98CH10886 with additional support through the Synchrotron Catalysis Consortium under grant DE-FG02-05ER15688. Neutron Reflectometry measurements were carried out on the Liquids Reflectometer at the Spallation Neutron Source which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (J.B., J.K.). Partial support for this work (A.B.P., G.G.) was provided by the National Science Foundation through TN-SCORE (NSF EPS-1004083) and by the University of Tennessee's Governor's Chair Fund. L.P. and A.V. acknowledge Fondazione Cariplo for supporting the liquid phase catalyst studies. The authors thank Franz Adlmann for, his assistance plotting the offspecular neutron data (S4). NR 72 TC 3 Z9 3 U1 4 U2 46 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD DEC 24 PY 2013 VL 25 IS 24 BP 4936 EP 4945 DI 10.1021/cm403224m PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 281YV UT WOS:000329137800013 ER PT J AU Ozcam, AE Petzetakis, N Silverman, S Jha, AK Balsara, NP AF Ozcam, A. Evren Petzetakis, Nikos Silverman, Skler Jha, Ashish K. Balsara, Nitash P. TI Relationship between Segregation Strength and Permeability of Ethanol/Water Mixtures through Block Copolymer Membranes SO MACROMOLECULES LA English DT Article ID PERVAPORATION SEPARATION; MOLECULAR-WEIGHT; TRANSPORT; APPROXIMATION; CONDUCTIVITY; FERMENTATION; PERFORMANCE; RECOVERY; PHASE; ION AB A series of poly(styrene-b-dimethylsiloxane-bstyrene) (SDS) triblock copolymers with molecular weights ranging from 55 to 150 kg/mol and polydimethylsiloxane (PDMS) volume fractions ranging from 0.59 to 0.83 were used to fabricate membranes for ethanol/water separation by pervaporation. The rigid polystyrene (PS) microphase provides the membrane with structural integrity, while the rubbery PDMS microphase provides nanoscale channels for ethanol transport. We use a simple model to study the effect of morphology and PDMS volume fraction on permeabilitites of ethanol and water through the block copolymer membranes. We defined normalized permeabilities of ethanol and water to account for differences in morphology and PDMS volume fraction. We found that the normalized ethanol permeability in SDS copolymers was independent of the total polymer molecular weight. This is qualitatively different from what 1.2 Nanostructured membrane Segregation strength 1000 was previously reported for poly(styrene-b-butadiene-b-styrene) (SBS) membranes, where the normalized ethanol permeability was found to be a sensitive function of total molecular weight [1. Membr. Sci. 2011, 373, 1121 We demonstrate that this is due to differences in the Flory Huggins interaction parameter (x) for the two systems. When xN is less than 100 (N is the number of segments per chain), the two microphases are weakly segregated, and the presence of glassy PS segments in the transporting microphase impedes ethanol transport. When xN exceeds 100, the two microphases are strongly segregated and the glassy PS segments do not mix with the transporting phase. We compare these results with normalized ionic conductivity data previously reported for mixtures of a lithium salt and polystyrene-b-poly(ethylene oxide) (SE0). Evidence suggests that the product xi\I governs the transport of widely different species such as ethanol and lithium salts through block copolymer membranes. Surprisingly, the normalized permeability of water is independent of total molecular weight for both SDS and SBS block copolymers. C1 [Ozcam, A. Evren; Petzetakis, Nikos; Jha, Ashish K.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Silverman, Skler] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, 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, 201 Gilman Hall, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-0SCH11231]; Energy Biosciences Institute (EBI), University of California at Berkeley FX This research was supported by the Energy Biosciences Institute (EBI), University of California at Berkeley. We thank Drs. Amit Gokhale and Steve Pietsch for their feedback in fermentation compositions. We thank Alex Teran for his help with the conductivity data. The SAXS measurements were performed at the Advanced Light Source at LBNL, supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract DE-AC02-0SCH11231. NR 35 TC 14 Z9 14 U1 3 U2 58 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 EI 1520-5835 J9 MACROMOLECULES JI Macromolecules PD DEC 24 PY 2013 VL 46 IS 24 BP 9652 EP 9658 DI 10.1021/ma401957s PG 7 WC Polymer Science SC Polymer Science GA 281YX UT WOS:000329138000019 ER PT J AU Joos, L Swisher, JA Smit, B AF Joos, Lennart Swisher, Joseph A. Smit, Berend TI Molecular Simulation Study of the Competitive Adsorption of H2O and CO2 in Zeolite 13X SO LANGMUIR LA English DT Article ID CARBON-DIOXIDE CAPTURE; PRESSURE-SWING ADSORPTION; DYNAMICS SIMULATION; WATER-ADSORPTION; FAUJASITE; NAY; TECHNOLOGIES; EQUILIBRIUM; HYDRATION; SYSTEMS AB The presence of H2O in postcombustion gas streams is an important technical issue for deploying CO2-selective adsorbents. Because of its permanent dipole, H2O can interact strongly with materials where the selectivity for CO2 is a consequence of its quadrupole interacting with charges in the material. We performed molecular simulations to model the adsorption of pure H2O and CO2 as well as H2O/CO2 mixtures in 13X, a popular zeolite for CO2 capture processes that is commercially available. The simulations show that H2O reduces the capacity of these materials for adsorbing CO2 by an order of magnitude and that at the partial pressures of H2O relevant for postcombustion capture, 13X will be essentially saturated with H2O C1 [Joos, Lennart; Swisher, Joseph A.; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Joos, Lennart] Univ Ghent, Ctr Mol Modeling, B-9052 Ghent, Belgium. [Swisher, Joseph A.; Smit, Berend] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Smit, B (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM berend-smit@berkeley.edu RI Smit, Berend/B-7580-2009; EFRC, CGS/I-6680-2012; Stangl, Kristin/D-1502-2015 OI Smit, Berend/0000-0003-4653-8562; FU Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001015]; Foundation of Scientific Research-Flanders (FWO); Commission for Educational Exchange; Ghent University Special Research Fund FX This work was supported as part of the Center for Gas Separations Relevant to Clean Energy Technologies, 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-SC0001015.; L.J. is a Ph.D. fellow funded by the Foundation of Scientific Research-Flanders (FWO) and is a 2013-2014 grantee of the Commission for Educational Exchange between the United States and Belgium, which administers the Fulbright Belgium and Fulbright Schuman programs. This publication has been made possible by a mobility grant of the Ghent University Special Research Fund. Figure 1 was made with VMD software support. VMD is developed with NIH support by the Theoretical and Computational Biophysics group at the Beckman Institute, University of Illinois at Urbana-Champaign. NR 37 TC 18 Z9 18 U1 9 U2 74 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD DEC 24 PY 2013 VL 29 IS 51 BP 15936 EP 15942 DI 10.1021/la403824g PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 281YN UT WOS:000329137000025 PM 24313865 ER PT J AU Li, M Morales, HH Katsaras, J Kucerka, N Yang, YK Macdonad, PM Nieh, MP AF Li, Ming Morales, Hannah H. Katsaras, John Kucerka, Norbert Yang, Yongkun Macdonad, Peter M. Nieh, Mu-Ping TI Morphological Characterization of DMPC/CHAPSO Bicellar Mixtures: A Combined SANS and NMR Study SO LANGMUIR LA English DT Article ID ALIGNED PHOSPHOLIPID-BILAYERS; NUCLEAR MAGNETIC-RESONANCE; MEMBRANE-PROTEINS; MODEL MEMBRANES; CURVATURE ELASTICITY; DIPOLAR COUPLINGS; SOLID-STATE; DIFFUSION; MICELLES; PHASE AB Spontaneously forming structures of a system composed of dimyristoyl phosphatidylcholine (DMPC) and 3-[(3-cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate (CHAPSO) were studied by small-angle neutron scattering (SANS), P-31 NMR, and stimulated echo (STE) pulsed field gradient (PFG) NMR diffusion measurements. Charged lipid dimyristoyl phosphatidylglycerol (DMPG) was used to induce different surface charge densities. The structures adopted were investigated as a function of temperature and lipid concentration for samples with a constant molar ratio of long-chain to short-chain lipids (= 3). In the absence of DMPG, zwitterionic bicellar mixtures exhibited a phase transition from discoidal bicelles, or ribbons, to multilamellar vesicles either upon dilution or with increased temperature. CHAPSO-containing mixtures showed a higher thermal stability in morphology than DHPC-containing mixtures at the corresponding lipid concentrations. In the presence of DMPG, discoidal bicelles (or ribbons) were also found at low temperature and lower lipid concentration mixtures. At high temperature, perforated lamellae were observed in high-concentration mixtures (>= 7.5 wt %) whereas uniform unilamellar vesicles and bicelles formed in low-concentration mixtures (<= 2.5 wt %), respectively, when the mixtures were moderately and highly charged. From the results, spontaneous structural diagrams of the zwitterionic and charged systems were constructed. C1 [Li, Ming; Yang, Yongkun; Nieh, Mu-Ping] Univ Connecticut, Inst Mat Sci, Polymer Program, Storrs, CT 06269 USA. [Morales, Hannah H.; Macdonad, Peter M.] Univ Toronto, Dept Chem & Phys Sci, Mississauga, ON L5L 1C6, Canada. [Katsaras, John] Oak Ridge Natl Lab, Neutron Sci Directorate, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Katsaras, John] Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA. [Katsaras, John] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Katsaras, John] Brock Univ, Dept Phys, St Catharines, ON L2S 3A1, Canada. [Kucerka, Norbert] CNR, Canadian Neutron Beam Ctr, Chalk River, ON K0J 1J0, Canada. [Nieh, Mu-Ping] Univ Connecticut, Dept Chem & Biomol Engn, Storrs, CT 06269 USA. [Nieh, Mu-Ping] Univ Connecticut, Dept Biomed Engn, Storrs, CT 06269 USA. RP Macdonad, PM (reprint author), Univ Toronto, Dept Chem & Phys Sci, Mississauga, ON L5L 1C6, Canada. EM pm.macdonald@utoronto.ca; mu-ping.nieh@ims.uconn.edu OI Nieh, Mu-Ping/0000-0003-4462-8716; Katsaras, John/0000-0002-8937-4177 FU UConn faculty large research grant; NSF grant [CMMI 1131587]; Natural Science and Engineering Research Council (NSERC) of Canada; Canadian Challenge Fund for Innovation (CFI); Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; U.S. Department of Energy (DOE) [DE-AC05-00OR2275]; DOE Office of Biological and Environmental Research for the BioSANS instrument at the ORNL Center for Structural Molecular Biology; Scientific User Facilities Division of the DOE Office of Basic Energy Sciences FX M.-P.N. and M.L. acknowledge funding support from a UConn faculty large research grant and an NSF grant (CMMI 1131587) as well as technical support from the Canadian Neutron Beam Centre NRU (Chalk River, Ontario, Canada) and the Center for Structural Molecular Biology (CSMB) at ORNL for the use of their neutron spectrometers. P.M.M. gratefully acknowledges the support of the Natural Science and Engineering Research Council (NSERC) of Canada and the Canadian Challenge Fund for Innovation (CFI) for financial support of this research. J.K. acknowledges support from the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy (DOE) under contract no. DE-AC05-00OR2275. This work also acknowledges additional support from the DOE Office of Biological and Environmental Research for the BioSANS instrument at the ORNL Center for Structural Molecular Biology and from the Scientific User Facilities Division of the DOE Office of Basic Energy Sciences for use of the High Flux Isotope Reactor (HFIR). NR 60 TC 9 Z9 9 U1 6 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD DEC 24 PY 2013 VL 29 IS 51 BP 15943 EP 15957 DI 10.1021/la402799b PG 15 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 281YN UT WOS:000329137000026 PM 24059815 ER PT J AU Boslough, M AF Boslough, Mark TI Greenland Pt anomaly may point to noncataclysmic Cape York meteorite entry SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Letter C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Boslough, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mbeb@unm.edu NR 5 TC 3 Z9 3 U1 0 U2 1 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD DEC 24 PY 2013 VL 110 IS 52 BP E5035 EP E5035 DI 10.1073/pnas.1320328111 PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 277ZW UT WOS:000328858800001 PM 24347646 ER PT J AU Rodionova, IA Li, XQ Thiel, V Stolyar, S Stanton, K Fredrickson, JK Bryant, DA Osterman, AL Best, AA Rodionov, DA AF Rodionova, Irina A. Li, Xiaoqing Thiel, Vera Stolyar, Sergey Stanton, Krista Fredrickson, James K. Bryant, Donald A. Osterman, Andrei L. Best, Aaron A. Rodionov, Dmitry A. TI Comparative genomics and functional analysis of rhamnose catabolic pathways and regulons in bacteria SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE L-rhamnose catabolism; metabolic reconstruction; regulon; comparative genomics; Chloroflexus ID TRANSCRIPTIONAL REGULATORY NETWORK; LEGUMINOSARUM BV TRIFOLII; SPRING MICROBIAL MATS; ESCHERICHIA-COLI; SALMONELLA-TYPHIMURIUM; THERMOTOGA-MARITIMA; RHIZOBIUM-LEGUMINOSARUM; BACILLUS-SUBTILIS; L-FUCOSE; L-RHAMNULOSE-1-PHOSPHATE ALDOLASE AB L-rhamnose (Rha) is a deoxy-hexose sugar commonly found in nature. L-Rha catabolic pathways were previously characterized in various bacteria including Escherichia coli. Nevertheless, homology searches failed to recognize all the genes for the complete L Rha utilization pathways in diverse microbial species involved in biomass decomposition. Moreover, the regulatory mechanisms of L-Rha catabolism have remained unclear in most species. A comparative genomics approach was used to reconstruct the L-Rha catabolic pathways and transcriptional regulons in the phyla Actinobacteria, Bacteroidetes, Chloroflexi, Firmicutes, Proteobacteria, and Thermotogae. The reconstructed pathways include multiple novel enzymes and transporters involved in the utilization of L-Rha and L-Rha-containing polymers. Large-scale regulon inference using bioinformatics revealed remarkable variations in transcriptional regulators for L-Rha utilization genes among bacteria. A novel bifunctional enzyme, L-rhamnulose-phosphate aldolase (RhaE) fused to L-lactaldehyde dehydrogenase (RhaW), which is not homologous to previously characterized L-Rha catabolic enzymes, was identified in diverse bacteria including Chloroflexi, Bacilli, and Alphaproteobacteria. By using in vitro biochemical assays we validated both enzymatic activities of the purified recombinant RhaEW proteins from Chloroflexus aurantiacus and Bacillus subtilis. Another novel enzyme of the L-Rha catabolism, L-lactaldehyde reductase (RhaZ), was identified in Gammaproteobacteria and experimentally validated by in vitro enzymatic assays using the recombinant protein from Salmonella typhimurium. C. aurantiacus induced transcription of the predicted L-Rha utilization genes when L-Rha was present in the growth medium and consumed L-Rha from the medium. This study provided comprehensive insights to L-Rha catabolism and its regulation in diverse Bacteria. C1 [Rodionova, Irina A.; Li, Xiaoqing; Osterman, Andrei L.; Rodionov, Dmitry A.] Sanford Burnham Med Res Inst, La Jolla, CA 92037 USA. [Thiel, Vera; Bryant, Donald A.] Penn State Univ, Dept Biochem & Mol Biol, University Pk, PA 16802 USA. [Stolyar, Sergey; Fredrickson, James K.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Stanton, Krista; Best, Aaron A.] Hope Coll, Dept Biol, Holland, MI 49423 USA. [Bryant, Donald A.] Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59717 USA. [Rodionov, Dmitry A.] Russian Acad Sci, AA Kharkevich Inst Informat Transmiss Problems, Moscow, Russia. RP Best, AA (reprint author), Hope Coll, Dept Biol, 35 E 12th St, Holland, MI 49423 USA. EM best@hope.edu; rodionov@burnham.org OI Rodionov, Dmitry/0000-0002-0939-390X FU Genomic Science Program (GSP), Office of Biological and Environmental Research (OBER), U.S. Department of Energy (DOE); Russian Foundation for Basic Research [12-04-33003]; Towsley Foundation (Midland, MI) through the Towsley Research Scholar program at Hope College FX We would like to thank P. Novichkov (LBNL, Berkeley, CA) for help with visualization of regulons in the RegPrecise database, Dave Kennedy (PNNL, Richland, WA) for help with HPLC analysis, David Scott (SBMRI, La Jola, CA) for help with GC-MS analysis, and E. Dervyn (INRA, France) for B. subtilis knockout strains. This research was 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 Pacific Northwest National Laboratory (PNNL) Foundational Scientific Focus Area. Additional funding was provided by the Russian Foundation for Basic Research (12-04-33003) and the Towsley Foundation (Midland, MI) through the Towsley Research Scholar program at Hope College. NR 71 TC 3 Z9 3 U1 2 U2 22 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD DEC 23 PY 2013 VL 4 AR 407 DI 10.3389/fmicb.2013.00407 PG 14 WC Microbiology SC Microbiology GA AB1MR UT WOS:000331556800001 PM 24391637 ER PT J AU Benz, A Montano, I Klem, JF Brener, I AF Benz, Alexander Montano, Ines Klem, John F. Brener, Igal TI Tunable metamaterials based on voltage controlled strong coupling SO APPLIED PHYSICS LETTERS LA English DT Article ID QUANTUM-WELL STRUCTURES; ELECTRICAL CONTROL; TUNABILITY; TRANSITION; FIELD AB We present the design, fabrication, and realization of an electrically tunable metamaterial operating in the mid-infrared spectral range. Our devices combine intersubband transitions in semiconductor quantum-wells with planar metamaterials and operate in the strong light-matter coupling regime. The resonance frequency of the intersubband transition can be controlled by an external bias relative to the fixed metamaterial resonance. This allows us to switch dynamically from an uncoupled to a strongly coupled system and thereby to shift the eigenfrequency of the upper polariton branch by 2.5 THz (corresponding to 8% of the center frequency or one full linewidth) with a bias of 5V. (C) 2013 AIP Publishing LLC. C1 [Benz, Alexander; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, Albuquerque, NM 87185 USA. [Benz, Alexander; Montano, Ines; Klem, John F.; Brener, Igal] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Benz, A (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, POB 5800, Albuquerque, NM 87185 USA. EM anbenz@sandia.gov FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Portions of this work were supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. 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 No. DE-AC04-94AL85000. NR 26 TC 16 Z9 16 U1 0 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD DEC 23 PY 2013 VL 103 IS 26 AR 263116 DI 10.1063/1.4859636 PG 5 WC Physics, Applied SC Physics GA 293NB UT WOS:000329977400069 ER PT J AU Freeman, E Stone, G Shukla, N Paik, H Moyer, JA Cai, ZH Wen, HD Engel-Herbert, R Schlom, DG Gopalan, V Datta, S AF Freeman, Eugene Stone, Greg Shukla, Nikhil Paik, Hanjong Moyer, Jarrett A. Cai, Zhonghou Wen, Haidan Engel-Herbert, Roman Schlom, Darrell G. Gopalan, Venkatraman Datta, Suman TI Nanoscale structural evolution of electrically driven insulator to metal transition in vanadium dioxide SO APPLIED PHYSICS LETTERS LA English DT Article ID VO2 AB The structural evolution of tensile strained vanadium dioxide thin films was examined across the electrically driven insulator-to-metal transition by nanoscale hard X-ray diffraction. A metallic filament with rutile (R) structure was found to be the dominant conduction pathway for an electrically driven transition, while the majority of the channel area remained in the monoclinic M1 phase. The filament dimensions were estimated using simultaneous electrical probing and nanoscale X-ray diffraction. Analysis revealed that the width of the conducting channel can be tuned externally using resistive loads in series, enabling the M1/R phase ratio in the phase coexistence regime to be tuned. (C) 2013 AIP Publishing LLC. C1 [Freeman, Eugene; Shukla, Nikhil; Datta, Suman] Penn State Univ, Dept Elect Engn, University Pk, PA 16802 USA. [Stone, Greg; Engel-Herbert, Roman; Gopalan, Venkatraman] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Paik, Hanjong; Schlom, Darrell G.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. [Moyer, Jarrett A.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Moyer, Jarrett A.] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Cai, Zhonghou; Wen, Haidan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Schlom, Darrell G.] Kavli Inst Cornell Nanoscale Sci, Ithaca, NY 14853 USA. RP Freeman, E (reprint author), Penn State Univ, Dept Elect Engn, University Pk, PA 16802 USA. EM exf181@psu.edu FU U.S Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Office of Naval Research [N00014-11-1-0665]; National Science Foundation [DMR-0820404] FX The authors would like to thank Professor Srinivas Tadigadapa of Penn State Electrical Engineering for use of his wire bonder and Peter Schiffer at the University of Illinois for help with the transport measurements. We also wish to acknowledge useful discussions with Martin Holt of Argonne National Laboratory. Work at Argonne was supported by the U.S Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. We acknowledge the financial support of the Office of Naval Research through Award N00014-11-1-0665 and the National Science Foundation through Award DMR-0820404. NR 21 TC 11 Z9 11 U1 3 U2 69 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD DEC 23 PY 2013 VL 103 IS 26 AR 263109 DI 10.1063/1.4858468 PG 4 WC Physics, Applied SC Physics GA 293NB UT WOS:000329977400062 ER PT J AU Hwang, Y Nguyen, BM Dayeh, SA AF Hwang, Yoontae Nguyen, Binh-Minh Dayeh, Shadi A. TI Atomic layer deposition of platinum with enhanced nucleation and coalescence by trimethylaluminum pre-pulsing SO APPLIED PHYSICS LETTERS LA English DT Article ID GROWTH; FILMS; WATER; ALD AB Conformal coating of metal layers on three-dimensional structures is essential for advanced electronic devices such as storage elements, transistors, and sensors. The quality of atomic layer deposited platinum on oxide surfaces was enhanced by adding pre-deposition pulses of trimethylaluminum (TMA) for improved wetting. With an optimal number of TMA pre-pulses, a 6 nm thick Pt film was perfectly coalesced in contrast to only Pt island formation without TMA pre-pulses. A Pt gate all around Ge/Si nanowire field effect transistor was realized highlighting the potential of this approach for efficient deposition of Pt on 3D nanoelectronic devices. (C) 2013 AIP Publishing LLC. C1 [Hwang, Yoontae; Nguyen, Binh-Minh; Dayeh, Shadi A.] Univ Calif San Diego, Dept Elect & Comp Engn, San Diego, CA 92093 USA. [Nguyen, Binh-Minh] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Dayeh, SA (reprint author), Univ Calif San Diego, Dept Elect & Comp Engn, San Diego, CA 92093 USA. EM sdayeh@ece.ucsd.edu FU Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory [20110264ER, 20120747PRD1, 20100601PRD2]; University of California San Diego; National Science Foundation, Division of Materials Research, DMR [0902277] FX This work was performed, in part, at the Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy, Office of Science User Facility. Portions of this work were supported by a Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory (Project No. 20110264ER, 20120747PRD1, and 20100601PRD2), faculty start-up funds at the University of California San Diego, and partial support from the National Science Foundation, Division of Materials Research, DMR (Award No. 0902277). We are grateful to the assistance and discussions with John Nogan and Doug Pete at CINT throughout the duration of this project. NR 27 TC 4 Z9 4 U1 4 U2 29 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD DEC 23 PY 2013 VL 103 IS 26 AR 263115 DI 10.1063/1.4858964 PG 5 WC Physics, Applied SC Physics GA 293NB UT WOS:000329977400068 ER PT J AU Kopaczek, J Kudrawiec, R Linhart, WM Rajpalke, MK Yu, KM Jones, TS Ashwin, MJ Misiewicz, J Veal, TD AF Kopaczek, J. Kudrawiec, R. Linhart, W. M. Rajpalke, M. K. Yu, K. M. Jones, T. S. Ashwin, M. J. Misiewicz, J. Veal, T. D. TI Temperature dependence of the band gap of GaSb1-xBix alloys with 0 < x <= 0.042 determined by photoreflectance SO APPLIED PHYSICS LETTERS LA English DT Article ID GAAS1-XBIX; SEMICONDUCTORS; EPITAXY AB GaSb1-xBix layers with 0 < x <= 0.042 have been studied by photoreflectance in 15-290 K temperature range. We found that due to the incorporation of Bi atoms into the GaSb host, the E-0 band gap-related transition redshifts (similar to 30 meV per 1% Bi) and significantly broadens. The shift of the E-0 transition in the temperature range 10-270K has been found to be similar to 70 meV, very similar to the energy shift in GaSb over the same temperature range. We analyzed the energy and broadening of the E-0 transition using the Varshni and Bose-Einstein formulas and found that the Varshni and Bose-Einstein parameters of GaSb1-xBix are similar to those of GaSb. Moreover we concluded that the inhomogeneities in GaSb1-xBix alloys is less important than in dilute bismide arsenides since Bi atoms are more similar to Sb atoms (in electronegativities and ionic sizes). (C) 2013 AIP Publishing LLC. C1 [Kopaczek, J.; Kudrawiec, R.; Misiewicz, J.] Wroclaw Univ Technol, Inst Phys, PL-50370 Wroclaw, Poland. [Kudrawiec, R.; Yu, K. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Linhart, W. M.; Rajpalke, M. K.; Veal, T. D.] Univ Liverpool, Stephenson Inst Renewable Energy, Sch Phys Sci, Liverpool L69 7ZF, Merseyside, England. [Linhart, W. M.; Rajpalke, M. K.; Veal, T. D.] Univ Liverpool, Dept Phys, Sch Phys Sci, Liverpool L69 7ZF, Merseyside, England. [Jones, T. S.; Ashwin, M. J.] Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England. RP Kopaczek, J (reprint author), Wroclaw Univ Technol, Inst Phys, Wybrzeze Wyspianskiego 27, PL-50370 Wroclaw, Poland. EM robert.kudrawiec@pwr.wroc.pl RI Linhart, Wojciech/B-1712-2014; Veal, Tim/A-3872-2010; OI Veal, Tim/0000-0002-0610-5626; Yu, Kin Man/0000-0003-1350-9642 FU NCN [2012/07/E/ST3/01742]; University of Liverpool; Engineering and Physical Sciences Research Council [EP/G004447/2, EP/H021388/1]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; MNiSzW FX The authors acknowledge financial support from the NCN (Grant No. 2012/07/E/ST3/01742), the University of Liverpool, and the Engineering and Physical Sciences Research Council under Grant Nos. EP/G004447/2 and EP/H021388/1. The ion beam analysis work performed at LBNL was support by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. In addition, R. K. acknowledges for the support within the grant "Mobilnosc Plus" from the MNiSzW and J. K. acknowledges for support within the "Diamond grant" from the MNiSzW. NR 26 TC 17 Z9 18 U1 1 U2 29 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD DEC 23 PY 2013 VL 103 IS 26 AR 261907 DI 10.1063/1.4858967 PG 4 WC Physics, Applied SC Physics GA 293NB UT WOS:000329977400025 ER PT J AU Tilger, CF Olles, JD Hirsa, AH AF Tilger, Christopher F. Olles, Joseph D. Hirsa, Amir H. TI Phase behavior of oscillating double droplets SO APPLIED PHYSICS LETTERS LA English DT Article ID LIQUID LENS; CAPILLARITY AB Double droplet systems are comprised of two coupled spherical interfaces. These systems are effective harmonic oscillators, due to their low dissipation and fast response; features enabled by their pinned contact lines. Here, millimeter scale coupled droplets of water are actuated with a sinusoidal driving pressure. The phase and transient behavior of the driven double droplet system is characterized. With the exact position of the double droplets determined, implementation of devices such as tunable lenses, thermal switches, and liquid adhesion mechanisms can be realized. (C) 2013 AIP Publishing LLC. C1 [Tilger, Christopher F.; Hirsa, Amir H.] Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA. [Olles, Joseph D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hirsa, AH (reprint author), Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA. EM hirsaa@rpi.edu NR 13 TC 2 Z9 2 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD DEC 23 PY 2013 VL 103 IS 26 AR 264105 DI 10.1063/1.4858487 PG 4 WC Physics, Applied SC Physics GA 293NB UT WOS:000329977400097 ER PT J AU Jung, D Albright, BJ Yin, L Gautier, DC Shah, R Palaniyappan, S Letzring, S Dromey, B Wu, HC Shimada, T Johnson, RP Roth, M Fernandez, JC Habs, D Hegelich, BM AF Jung, D. Albright, B. J. Yin, L. Gautier, D. C. Shah, R. Palaniyappan, S. Letzring, S. Dromey, B. Wu, H-C Shimada, T. Johnson, R. P. Roth, M. Fernandez, J. C. Habs, D. Hegelich, B. M. TI Beam profiles of proton and carbon ions in the relativistic transparency regime SO NEW JOURNAL OF PHYSICS LA English DT Article ID LASER-PULSES; ACCELERATION; ELECTRON; DYNAMICS; PLASMAS; DRIVEN; SOLIDS AB Ion acceleration from relativistic laser solid interactions has been of particular interest over the last decade. While beam profiles have been studied for target normal sheath acceleration (TNSA), such profiles have yet to be described for other mechanisms. Here, experimental data is presented, investigating ion beam profiles from acceleration governed by relativistic transparent laser plasma interaction. The beam shape of carbon C6+ ions and protons has been measured simultaneously with a wide angle spectrometer. It was found that ion beams deviate from the typical Gaussian-like shape found with TNSA and that the profile is governed by electron dynamics in the volumetric laser-plasma interaction with a relativistically transparent plasma; due to the ponderomotive force electrons are depleted from the center of the laser axis and form lobes affecting the ion beam structure. The results are in good agreement with high resolution three-dimensional-VPIC simulations and can be used as a new tool to experimentally distinguish between different acceleration mechanisms. C1 [Jung, D.; Albright, B. J.; Yin, L.; Gautier, D. C.; Shah, R.; Palaniyappan, S.; Letzring, S.; Wu, H-C; Shimada, T.; Johnson, R. P.; Fernandez, J. C.; Hegelich, B. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Jung, D.; Dromey, B.] Queens Univ Belfast, Belfast BT7 1NN, Antrim, North Ireland. [Roth, M.] Tech Univ Darmstadt, D-64289 Darmstadt, Germany. [Habs, D.] Univ Munich, Dept Phys, D-85748 Garching, Germany. RP Jung, D (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM d.jung@qub.ac.uk RI palaniyappan, sasikumar/A-7791-2015; Fernandez, Juan/H-3268-2011; OI Fernandez, Juan/0000-0002-1438-1815; Albright, Brian/0000-0002-7789-6525; Yin, Lin/0000-0002-8978-5320 FU DOE OFES; LANL LDRD program; Deutsche Forschungsgemeinschaft (DFG); Cluster of Excellence ( MAP) FX We are grateful for the support of the Trident laser team. The VPIC simulations were run on the LANL Roadrunner supercomputer. Work was supported by: DOE OFES, the LANL LDRD program, Deutsche Forschungsgemeinschaft (DFG) Transregio SFB TR18, Cluster of Excellence ( MAP). Work performed under the auspices of the US Department of Energy by the Los Alamos National Security, LLC, Los Alamos National Laboratory. NR 41 TC 21 Z9 21 U1 3 U2 43 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD DEC 23 PY 2013 VL 15 AR 123035 DI 10.1088/1367-2630/15/12/123035 PG 13 WC Physics, Multidisciplinary SC Physics GA 299BT UT WOS:000330370400001 ER PT J AU Young, KL Personick, ML Engel, M Damasceno, PF Barnaby, SN Bleher, R Li, T Glotzer, SC Lee, B Mirkin, CA AF Young, Kaylie L. Personick, Michelle L. Engel, Michael Damasceno, Pablo F. Barnaby, Stacey N. Bleher, Reiner Li, Tao Glotzer, Sharon C. Lee, Byeongdu Mirkin, Chad A. TI A Directional Entropic Force Approach to Assemble Anisotropic Nanoparticles into Superlattices SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE depletion forces; entropy; nanomaterials; nanoparticles; surfactants ID BUILDING-BLOCKS; GOLD NANOPARTICLES; COMPLEX STRUCTURES; NANOSCALE FORCES; SHAPE; ATTRACTION; PARTICLES; EVOLUTION; NANORODS; VIRUS C1 [Young, Kaylie L.; Personick, Michelle L.; Barnaby, Stacey N.; Mirkin, Chad A.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Young, Kaylie L.; Personick, Michelle L.; Barnaby, Stacey N.; Mirkin, Chad A.] Northwestern Univ, Int Inst Nanotechnol, Evanston, IL 60208 USA. [Bleher, Reiner; Mirkin, Chad A.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Li, Tao; Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Engel, Michael; Damasceno, Pablo F.; Glotzer, Sharon C.] Univ Michigan, Dept Mat Sci & Engn, Appl Phys Program, Dept Chem Engn, Ann Arbor, MI 48109 USA. RP Glotzer, SC (reprint author), Univ Michigan, Dept Mat Sci & Engn, Appl Phys Program, Dept Chem Engn, North Campus Res Complex,2800 Plymouth Rd, Ann Arbor, MI 48109 USA. EM sglotzer@umich.edu; blee@anl.gov; chadnano@northwestern.edu RI Engel, Michael/G-1778-2010; Mirkin, Chad/E-3911-2010; li, tao/K-8911-2012; OI Engel, Michael/0000-0002-7031-3825; li, tao/0000-0001-5454-1468; Lee, Byeongdu/0000-0003-2514-8805 FU Department of Energy Office (DOE) through the Northwestern University Non-Equilibrium Energy Research Center [DE-SC0000989]; NSF; U.S. Army Research Office [W911NF-10-1-0518]; U.S. Department of Defense ASD (RE) [N00244-09-1-0062]; Office of Basic Energy Sciences, US DOE [DE-AC02-06CH11357] FX C.A.M. and S.C.G. acknowledge the Department of Energy Office (DOE Award DE-SC0000989) for support through the Northwestern University Non-Equilibrium Energy Research Center. K.L.Y., M. L. P., and S.N.B. acknowledge support from the NSF through the Graduate Research Fellowship Program. K.L.Y. also acknowledges the NDSEG Fellowship. P. F. D, M. E., and S. C. G. acknowledge support from the U.S. Army Research Office under Grant Award No. W911NF-10-1-0518 and the U.S. Department of Defense ASD (R&E) under Award No. N00244-09-1-0062. Use of the Advanced Photon Source was supported by the Office of Basic Energy Sciences, US DOE under Contract DE-AC02-06CH11357. Electron microscopy was carried out in the Electron Probe Instrumentation Center facility of the Northwestern University Atomic and Nanoscale Characterization Experimental Center. NR 49 TC 36 Z9 36 U1 9 U2 103 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD DEC 23 PY 2013 VL 52 IS 52 BP 13980 EP 13984 DI 10.1002/anie.201306009 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 273JM UT WOS:000328531100014 PM 24353226 ER PT J AU Kobayashi, T Mao, K Paluch, P Nowak-Krol, A Sniechowska, J Nishiyama, Y Gryko, DT Potrzebowski, MJ Pruski, M AF Kobayashi, Takeshi Mao, Kanmi Paluch, Piotr Nowak-Krol, Agnieszka Sniechowska, Justyna Nishiyama, Yusuke Gryko, Daniel T. Potrzebowski, Marek J. Pruski, Marek TI Study of Intermolecular Interactions in the Corrole Matrix by Solid-State NMR under 100 kHz MAS and Theoretical Calculations SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE corroles; host-guest interactions; solid-state NMR spectroscopy; theoretical calculations; ultrafast MAS ID PROTON-PROTON PROXIMITIES; HYDROGEN-BONDS; SPECTROSCOPY; RESOLUTION; PYRROLE C1 [Kobayashi, Takeshi; Mao, Kanmi; Pruski, Marek] US DOE, Ames Lab, Ames, IA 50011 USA. [Kobayashi, Takeshi; Mao, Kanmi; Pruski, Marek] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Nowak-Krol, Agnieszka; Gryko, Daniel T.] Polish Acad Sci, Inst Organ Chem, PL-01224 Warsaw, Poland. [Nishiyama, Yusuke] JEOL Resonance Inc, Tokyo 1968558, Japan. [Paluch, Piotr; Sniechowska, Justyna; Potrzebowski, Marek J.] Polish Acad Sci, Ctr Mol & Macromol Studies, PL-90363 Lodz, Poland. RP Potrzebowski, MJ (reprint author), Polish Acad Sci, Ctr Mol & Macromol Studies, Sienkiewicza 112, PL-90363 Lodz, Poland. EM marekpot@cbm.lodz.pl; mpruski@iastate.edu RI Gryko, Daniel/A-7998-2008 OI Gryko, Daniel/0000-0002-2146-1282 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-07CH11358]; Polish National Center for Science [UMO-2011/03/N/ST4/01721]; Foundation for Polish Science FX This work was supported at Ames Laboratory by the U.S. Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-07CH11358, Grant of Polish National Center for Science, Contract No UMO-2011/03/N/ST4/01721 and The Foundation for Polish Science (A.N.-K. Ventures Program). We gratefully thank Dr. H.-H. Limbach, Dr. J.P. Yesinowski, and Dr. M. W. Schmidt for helpful discussions, and S. M. Althaus for assistance with solid-state NMR experiments. NR 36 TC 36 Z9 36 U1 2 U2 52 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD DEC 23 PY 2013 VL 52 IS 52 BP 14108 EP 14111 DI 10.1002/anie.201305475 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 273JM UT WOS:000328531100040 PM 24227750 ER PT J AU Yeninas, S Pandey, A Ogloblichev, V Mikhalev, K Johnston, DC Furukawa, Y AF Yeninas, S. Pandey, Abhishek Ogloblichev, V. Mikhalev, K. Johnston, D. C. Furukawa, Y. TI Metal-insulator transition in antiferromagnetic Ba1-xKxMn2As2 (0 <= x <= 0.4) single crystals studied by Mn-55 and As-75 NMR SO PHYSICAL REVIEW B LA English DT Article ID NUCLEAR-MAGNETIC-RESONANCE; SPIN-LATTICE RELAXATION; LA1-XSRXTIO3 AB The magnetic structure and metal-insulator transition in antiferromagnetic (AFM) BaMn2As2 and Ba1-xKxMn2As2 single crystals have been investigated by Mn-55 and As-75 nuclear magnetic resonance (NMR) measurements. In the parent AFM insulator BaMn2As2 with a Neel temperature T-N = 625 K, we observed a Mn-55 zero-field NMR (ZFNMR) spectrum and confirmed the G-type AFM structure from the field dependence of the Mn-55 spectra and As-75 NMR spectra below T-N. In hole-doped crystals with x > 0.01, similar Mn-55 ZFNMR spectra were observed and the AFM state was revealed to be robust up to x = 0.4 with the ordered moment nearly independent of x. The nuclear spin-lattice relaxation rates (1/T-1) for both nuclei in the doped samples follow the Korringa relation T1T = const, indicating a metallic state. This confirms the coexistence of AFM ordered localized Mn spins and conduction carriers from a microscopic point of view. From the x dependence of (T1T)(-1/2) for both nuclei, we conclude that this transition is caused by vanishing of the hole concentration as the transition is approached from the metallic side. C1 [Yeninas, S.; Pandey, Abhishek; Johnston, D. C.; Furukawa, Y.] US DOE, Ames Lab, Ames, IA 50011 USA. [Yeninas, S.; Pandey, Abhishek; Johnston, D. C.; Furukawa, Y.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Ogloblichev, V.; Mikhalev, K.] Russian Acad Sci, Ural Div, Inst Met Phys, Ekaterinburg 620990, Russia. RP Yeninas, S (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. RI Ogloblichev, Vasily/K-3399-2013; Pandey, Abhishek /M-5679-2015; Mikhalev, Konstantin/K-3069-2013 OI Ogloblichev, Vasily/0000-0003-0520-7521; Pandey, Abhishek /0000-0003-2839-1720; Mikhalev, Konstantin/0000-0001-5726-4427 FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; US Department of Energy by Iowa State University [DE-AC02-07CH11358] FX This research was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 20 TC 6 Z9 6 U1 5 U2 30 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 23 PY 2013 VL 88 IS 24 AR 241111 DI 10.1103/PhysRevB.88.241111 PG 5 WC Physics, Condensed Matter SC Physics GA 278KD UT WOS:000328888300001 ER PT J AU Izsak, R Horvath, A Kiss, A Seres, Z Galonsky, A Bertulani, CA Fulop, Z Baumann, T Bazin, D Ieki, K Bordeanu, C Carlin, N Csanad, M Deak, F DeYoung, P Frank, N Fukuchi, T Gade, A Galaviz, D Hoffman, CR Peters, WA Schelin, H Thoennessen, M Veres, GI AF Izsak, R. Horvath, A. Kiss, A. Seres, Z. Galonsky, A. Bertulani, C. A. Fueloep, Zs. Baumann, T. Bazin, D. Ieki, K. Bordeanu, C. Carlin, N. Csanad, M. Deak, F. DeYoung, P. Frank, N. Fukuchi, T. Gade, A. Galaviz, D. Hoffman, C. R. Peters, W. A. Schelin, H. Thoennessen, M. Veres, G. I. TI Determining the Li-7(n,gamma) cross section via Coulomb dissociation of Li-8 SO PHYSICAL REVIEW C LA English DT Article ID NEUTRON-CAPTURE; BREAKUP REACTIONS; MODEL; DETECTOR; NUCLEI; LI-7(N; ARRAY; HALO; MONA; TOOL AB The applicability of Coulomb dissociation reactions to determine the cross section for the inverse neutron capture reaction was explored using the reaction Li-8(gamma,n)Li-7. A 69.5 MeV/nucleon Li-8 beam was incident on a Pb target, and the outgoing neutron and Li-7 nucleus were measured in coincidence. The deduced (n,gamma) excitation function is consistent with data for the direct capture reaction Li-7(n,gamma) Li-8 and with low-energy effective field theory calculations. C1 [Izsak, R.; Horvath, A.; Kiss, A.; Csanad, M.; Deak, F.; Veres, G. I.] Eotvos Lorand Univ, Dept Atom Phys, H-1117 Budapest, Hungary. [Seres, Z.] Wigner Res Ctr Phys, Inst Particle & Nucl Phys, H-1525 Budapest, Hungary. [Galonsky, A.; Baumann, T.; Bazin, D.; Frank, N.; Gade, A.; Galaviz, D.; Peters, W. A.; Thoennessen, M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Bertulani, C. A.] Texas A&M Univ, Dept Phys & Astron, Commerce, TX 75429 USA. [Fueloep, Zs.] ATOMKI Inst Nucl Res, H-4001 Debrecen, Hungary. [Ieki, K.; Fukuchi, T.] Rikkyo Univ, Dept Phys, Toshima Ku, Tokyo 171, Japan. [Bordeanu, C.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Carlin, N.] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil. [DeYoung, P.] Hope Coll, Dept Phys & Engn, Holland, MI 49423 USA. [Frank, N.; Gade, A.; Peters, W. A.; Thoennessen, M.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Hoffman, C. R.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Schelin, H.] Univ Tecnol Fed Parana, BR-80230901 Curitiba, Parana, Brazil. [Frank, N.] Augustana Coll, Dept Phys & Astron, Rock Isl, IL 61201 USA. [Hoffman, C. R.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Schelin, H.] Pele Pequeno Principe Res Inst, BR-80250200 Curitiba, PR, Brazil. [Bordeanu, C.] Horia Hulubei Natl Inst Phys & Nucl Engn IFIN HH, Dept Nucl Phys, Bucharest, Romania. RP Izsak, R (reprint author), Eotvos Lorand Univ, Dept Atom Phys, H-1117 Budapest, Hungary. RI Gade, Alexandra/A-6850-2008; Horvath, Akos/D-1056-2012; Fulop, Zsolt/B-2262-2008; Galaviz Redondo, Daniel/A-7325-2008; Hoffman, Calem/H-4325-2016; Peters, William/B-3214-2012; Fukuchi, Tomonori/D-3855-2017 OI Gade, Alexandra/0000-0001-8825-0976; Galaviz Redondo, Daniel/0000-0003-2992-4496; Hoffman, Calem/0000-0001-7141-9827; Peters, William/0000-0002-3022-4924; Fukuchi, Tomonori/0000-0003-3566-9954 FU National Science Foundation [PHY01-10253, PHY03-54920, PHY04-56463, PHY06-06007, PHY11-02511]; Department of Energy [DE-FG02-08ER41533, DE-FC02-07ER41457]; Research Corporation; Hungarian Research and Technology Fund [KTIA AIK 12-1-2012-0020]; OTKA [T049837, K101328] FX Support of the National Science Foundation under Grants No. PHY01-10253, No. PHY03-54920, No. PHY04-56463, No. PHY06-06007, and No. PHY11-02511, the Department of Energy under Grants No. DE-FG02-08ER41533 and No. DE-FC02-07ER41457 (UNEDF, SciDAC-2), the Research Corporation, the Hungarian Research and Technology Fund, Grant No. KTIA AIK 12-1-2012-0020, and the OTKA under Grants No. T049837 and No. K101328 is gratefully acknowledged. The authors also would like to thank the anonymous reviewer for valuable comments and suggestions. NR 49 TC 6 Z9 6 U1 0 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD DEC 23 PY 2013 VL 88 IS 6 AR 065808 DI 10.1103/PhysRevC.88.065808 PG 8 WC Physics, Nuclear SC Physics GA 278KG UT WOS:000328888600003 ER PT J AU Schmitt, KT Jones, KL Ahn, S Bardayan, DW Bey, A Blackmon, JC Brown, SM Chae, KY Chipps, KA Cizewski, JA Hahn, KI Kolata, JJ Kozub, RL Liang, JF Matei, C Matos, M Matyas, D Moazen, B Nesaraja, CD Nunes, FM O'Malley, PD Pain, SD Peters, WA Pittman, ST Roberts, A Shapira, D Shriner, JF Smith, MS Spassova, I Stracener, DW Upadhyay, NJ Villano, AN Wilson, GL AF Schmitt, K. T. Jones, K. L. Ahn, S. Bardayan, D. W. Bey, A. Blackmon, J. C. Brown, S. M. Chae, K. Y. Chipps, K. A. Cizewski, J. A. Hahn, K. I. Kolata, J. J. Kozub, R. L. Liang, J. F. Matei, C. Matos, M. Matyas, D. Moazen, B. Nesaraja, C. D. Nunes, F. M. O'Malley, P. D. Pain, S. D. Peters, W. A. Pittman, S. T. Roberts, A. Shapira, D. Shriner, J. F., Jr. Smith, M. S. Spassova, I. Stracener, D. W. Upadhyay, N. J. Villano, A. N. Wilson, G. L. TI Reactions of a Be-10 beam on proton and deuteron targets SO PHYSICAL REVIEW C LA English DT Article ID OPTICAL-MODEL ANALYSIS; BE-9(T,P) BE-11; NUCLEI BE-11; SCATTERING; DETECTOR; LI-11; POTENTIALS; STATES; SHELL AB The extraction of detailed nuclear structure information from transfer reactions requires reliable, well-normalized data, as well as optical potentials and a theoretical framework demonstrated to work well in the relevant mass and beam energy ranges. It is rare that the theoretical ingredients can be tested well for exotic nuclei owing to the paucity of data. The halo nucleus Be-11 has been examined through the Be-10(d, p) reaction in inverse kinematics at equivalent deuteron energies of 12, 15, 18, and 21.4 MeV. Elastic scattering of Be-10 on protons was used to select optical potentials for the analysis of the transfer data. Additionally, data from the elastic and inelastic scattering of Be-10 on deuterons was used to fit optical potentials at the four measured energies. Transfers to the two bound states and the first resonance in Be-11 were analyzed using the finite-range adiabatic wave approximation. Consistent values of the spectroscopic factor of both the ground and first excited states were extracted from the four measurements, with average values of 0.71(5) and 0.62(4), respectively. The calculations for transfer to the first resonance were found to be sensitive to the size of the energy bin used and therefore could not be used to extract a spectroscopic factor. C1 [Schmitt, K. T.; Jones, K. L.; Ahn, S.; Bey, A.; Chae, K. Y.; Chipps, K. A.; Moazen, B.; Pittman, S. T.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Ahn, S.; Nunes, F. M.; Upadhyay, N. J.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Ahn, S.; Nunes, F. M.; Upadhyay, N. J.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Bardayan, D. W.; Chae, K. Y.; Liang, J. F.; Nesaraja, C. D.; Pain, S. D.; Shapira, D.; Smith, M. S.; Stracener, D. W.] Oak Ridge Natl Lab, Phys Div, Oak Ridge, TN 37831 USA. [Bardayan, D. W.; Kolata, J. J.; Roberts, A.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Blackmon, J. C.; Matos, M.; Pittman, S. T.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Brown, S. M.; Wilson, G. L.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Chae, K. Y.] Sungkyunkwan Univ, Dept Phys, Suwon 440749, South Korea. [Chipps, K. A.; O'Malley, P. D.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Cizewski, J. A.; O'Malley, P. D.; Peters, W. A.; Spassova, I.] Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA. [Hahn, K. I.] Ewha Womans Univ, Seoul 120750, South Korea. [Kozub, R. L.; Shriner, J. F., Jr.] Tennessee Technol Univ, Dept Phys, Cookeville, TN 38505 USA. [Matei, C.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. [Matyas, D.] Denison Univ, Dept Phys & Astron, Granville, OH 43023 USA. [Villano, A. N.] Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. RP Schmitt, KT (reprint author), ORTEC AMETEC Oak Ridge, Oak Ridge, TN 37831 USA. EM kgrzywac@utk.edu RI Jones, Katherine/B-8487-2011; Peters, William/B-3214-2012; Pain, Steven/E-1188-2011; Matei, Catalin/B-2586-2008; OI Jones, Katherine/0000-0001-7335-1379; Peters, William/0000-0002-3022-4924; Pain, Steven/0000-0003-3081-688X; Matei, Catalin/0000-0002-2254-3853; Nesaraja, Caroline/0000-0001-5571-8341; Bey, Anissa/0000-0002-8035-6853; Chipps, Kelly/0000-0003-3050-1298 FU US Department of Energy [DEFG02-96ER40955, DE-FG02-96ER40990, DE-AC05-00OR22725, DE-FG03-93ER40789, DE-FG02-96ER40983, DE-SC0001174, DE-FG52-08NA28552, DE-AC02-06CH11357]; National Science Foundation [NSF-PHY0354870, NSF-PHY0757678, NSF-PHY-0969456, NSF-PHY-0555893]; NRF of Korea (MSIP) [NRF-2012M7A1A2055625, NRF-2012R1A1A1041763]; UK Science and Technology Funding Council [PP/F000715/1]; National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE [DE-FG52-08NA28552, DE-FG52-03NA00143] FX This work was supported by the US Department of Energy under Contracts No. DEFG02-96ER40955 and No. DE-FG02-96ER40990 (TTU), No. DE-AC05-00OR22725 (ORNL), No. DE-FG03-93ER40789 (Colorado School of Mines), No. DE-FG02-96ER40983 and No. DE-SC0001174 (UT), No. DE-FG52-08NA28552 and No. DE-AC02-06CH11357 (MSU); the National Science Foundation under Contracts No. NSF-PHY0354870 and No. NSF-PHY0757678 (Rutgers), No. NSF-PHY-0969456(Notre Dame), and No. NSF-PHY-0555893 (MSU); NRF of Korea (MSIP) under Contracts No. NRF-2012M7A1A2055625 (Ewha) and No. NRF-2012R1A1A1041763 (Sungkyunkwan); and the UK Science and Technology Funding Council under Contract No. PP/F000715/1. This research was sponsored, in part, by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Cooperative Agreements No. DE-FG52-03NA00143 and No. DE-FG52-08NA28552 (Rutgers, ORAU). The authors would like to thank the operations staff at the HRIBF for making these measurements possible. NR 54 TC 11 Z9 12 U1 0 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD DEC 23 PY 2013 VL 88 IS 6 AR 064612 DI 10.1103/PhysRevC.88.064612 PG 10 WC Physics, Nuclear SC Physics GA 278KG UT WOS:000328888600002 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Bergauer, T Dragicevic, M Ero, J Fabjan, C Friedl, M Fruhwirth, R Ghete, VM Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Rabady, D Rahbaran, B Rohringer, C Rohringer, H Schofbeck, R Strauss, J Taurok, A Treberer-Treberspurg, W Waltenberger, W Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Alderweireldt, S Bansal, M Bansal, S Cornelis, T De Wolf, EA Janssen, X Knutsson, A Luyckx, S Mucibello, L Ochesanu, S Roland, B Rougny, R Staykova, Z Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Kalogeropoulos, A Keaveney, J Maes, M Olbrechts, A Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Caillol, C Clerbaux, B De Lentdecker, G Favart, L Gay, APR Hreus, T Leonard, A Marage, PE Mohammadi, A Pernie, L Reis, T Seva, T Thomas, L Velde, CV Vanlaer, P Wang, J Adler, V Beernaert, K Benucci, L Cimmino, A Costantini, S Dildick, S Garcia, G Klein, B Lellouch, J Marinov, A McCartin, J Rios, AAO Ryckbosch, D Sigamani, M Strobbe, N Thyssen, F Tytgat, M Walsh, S Yazgan, E Zaganidis, N Basegmez, S Beluffi, C Bruno, G Castello, R Caudron, A Ceard, L Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Jez, P Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Popov, A Selvaggi, M Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Martins, MC Martins, T Pol, ME Souza, MHG Alda, WL Carvalho, W Chinellato, J Custodio, A Da Costa, EM Damiao, DD Martins, CD De Souza, SF Malbouisson, H Malek, M Figueiredo, DM Mundim, L Nogima, H Da Silva, WLP Santoro, A Sznajder, A Manganote, EJT Pereira, AV Bernardes, CA Dias, FA PerezTomei, TRF Gregores, EM Lagana, C Mercadante, PG Novaes, SF Padula, SS Genchev, V Iaydjiev, P Piperov, S Rodozov, M Sultanov, G 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 Asawatangtrakuldee, C Ban, Y Guo, Y Li, Q Li, W Liu, S Mao, Y Qian, SJ Wang, D Zhang, L Zou, W Avila, C Montoya, CAC Sierra, LFC Gomez, JP Moreno, BG Sanabria, JC Godinovic, N Lelas, D Plestina, R Polic, D Puljak, I Antunovic, Z Kovac, M Brigljevic, V Duric, S Kadija, K Luetic, J Mekterovic, D Morovic, S Tikvica, L Attikis, A Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Finger, M Finger, M Abdelalim, AA Assran, Y Elgammal, S Kamel, AE Mahmoud, MA Radi, A Kadastik, M Muentel, M Murumaa, M Raidal, M Rebane, L Tiko, A Eerola, P Fedi, G Voutilainen, M Harkonen, J 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 Wendland, L Tuuva, T Besancon, M Couderc, F 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 Titov, M Baffioni, S Beaudette, F Benhabib, L Bluj, M Busson, P Charlot, C Daci, N Dahms, T Dalchenko, M Dobrzynski, L Florent, A 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 Brom, JM Chabert, EC Collard, C Conte, E Drouhin, F Fontaine, JC Gele, D Goerlach, U Goetzmann, C Juillot, P Le Bihan, AC Van Hove, P Gadrat, S Beauceron, S Beaupere, N Boudoul, G Brochet, S 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 Donckt, MV Verdier, P Viret, S Tsamalaidze, Z Autermann, C Beranek, S Calpas, B Edelhoff, M Feld, L Heracleous, N Hindrichs, O Klein, K 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CA CMS Collaboration TI Rapidity distributions in exclusive Z plus jet and gamma plus jet events in pp collisions at root s=7 TeV SO PHYSICAL REVIEW D LA English DT Article ID PARTON DISTRIBUTIONS AB Rapidity distributions are presented for events containing either a Z boson or a photon with a single jet in proton-proton collisions produced at the CERN LHC. The data, collected with the CMS detector at root s = 7 TeV, correspond to an integrated luminosity of 5.0 fb(-1). The individual rapidity distributions of the boson and the jet are consistent within 5% with expectations from perturbative QCD. However, QCD predictions for the sum and the difference in rapidities of the two final-state objects show discrepancies with CMS data. In particular, next-to-leading-order QCD calculations, and two common Monte Carlo event generators using different methods to match matrix-element partons with parton showers, appear inconsistent with the data as well as with each other. 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[Barone, L.; Cavallari, F.; Del Re, D.; Diemoz, M.; Grassi, M.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Rovelli, C.; Soffi, L.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Grassi, M.; Longo, E.; Margaroli, F.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Degano, A.; 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.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Bellan, R.; Casasso, S.; Costa, M.; Degano, A.; 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.; La Licata, C.; Marone, M.; Montanino, D.; Penzo, A.; Schizzi, A.; Zanetti, A.] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; La Licata, C.; Marone, M.; Montanino, D.; Schizzi, A.] Univ Trieste, Trieste, Italy. [Chang, S.; Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Kim, D. H.; Kim, G. N.; Kim, J. E.; Kong, D. J.; Oh, Y. D.; Park, H.; Son, D. C.; Kim, Zero J.] Kyungpook Natl Univ, Taegu, South Korea. [Kim, J. Y.; Song, S.] Chonnam Natl Univ, Inst Univ & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, T. J.; Lee, K. S.; Park, S. K.; Roh, Y.; Askew, A.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [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. [Grigelionis, I.; Juodagalvis, A.] Vilnius Univ, Vilnius, Lithuania. [Castilla-Valdez, H.; De La Cruz-Burelo, E.; La Cruz, I. Heredia-de; Lopez-Fernandez, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.; Villasenor-Cendejas, L. M.] Ctr Invest & Estudios Avanzados IPN, Mexico City, DF, Mexico. [Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, 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.; Asghar, M. I.; Butt, J.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Qazi, S.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bluj, M.; Bialkowska, H.; Boimska, B.; Frueboes, T.; 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.; Misiura, M.; Wolszczak, W.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Almeida, N.; Bargassa, P.; Da Cruz E Silva, C. Beirao; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Nguyen, F.; Antunes, J. Rodrigues; Seixas, J.; Varela, J.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Tsamalaidze, Z.; Vischia, P.; Afanasiev, S.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Skatchkov, N.; Smirnov, V.; 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, Gatchina, St Petersburg, Russia. [Andreev, Yu; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Musienko, Y.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Erofeeva, M.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Spiridonov, A.; Stolin, V.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, 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. [Popov, A.; 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.; Petrushanko, S.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade, Serbia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Krpic, D.; Milosevic, J.; Milenovic, P.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Maestre, J. Alcaraz; 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.; Navarro De Martino, E.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Santaolalla, J.; Soares, M. S.; Willmott, C.] Ctr Invest Energet Medioambientales & Tecn CIEMAT, Madrid, Spain. [Albajar, C.; 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.; 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. [Rabady, D.; Genchev, V.; Iaydjiev, P.; Guthoff, M.; Hartmann, F.; Hauth, T.; Kornmayer, A.; Mohanty, A. K.; Giordano, F.; Martelli, A.; Meola, S.; Paolucci, P.; D'Agnolo, R. T.; Grassi, M.; Pelliccioni, M.; Cossutti, F.; Seixas, J.; Chamizo Llatas, M.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Bendavid, J.; Benitez, J. F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; Colafranceschi, S.; d'Enterria, D.; Dabrowski, A.; David, A.; De Roeck, A.; De Visscher, S.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Eugster, J.; Funk, W.; Georgiou, G.; Giffels, M.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Giunta, M.; Glege, F.; Garrido, R. Gomez-Reino; Gowdy, S.; Guida, R.; Hammer, J.; Hansen, M.; Harris, P.; Hartl, C.; Hinzmann, A.; Innocente, V.; Janot, P.; Karavakis, E.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lee, Y. -J.; Lourenco, C.; Magini, N.; Malberti, M.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moser, R.; Mulders, M.; Musella, P.; Nesvold, E.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Plagge, M.; Quertenmont, L.; Racz, A.; Reece, W.; Rolandi, G.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schaefer, C.; Schwick, C.; Segoni, I.; Sekmen, S.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Stoye, M.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Worm, S. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Zeuner, W. D.; Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.; Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Bachmair, F.; Baeni, L.; Bianchini, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eller, P.; Freudenreich, K.; Grab, C.; Hits, D.; Lecomte, P.; Lustermann, W.; Mangano, B.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Meister, D.; 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.] ETH, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; Favaro, C.; Rikova, M. Ivova; Kilminster, B.; Mejias, B. Millan; Otiougova, P.; Robmann, P.; Snoek, H.; Taroni, S.; Tupputi, S.; Verzetti, M.; Yang, Y.] Univ Zurich, Zurich, Switzerland. [Cardaci, M.; Chang, Y. H.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Li, S. W.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli, Taiwan. [Bartalini, P.; Chang, P.; Chang, Y. H.; 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.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Suwonjandee, 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.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Karapinar, G.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Guelmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; Sonmez, N.] Bogazici Univ, Istanbul, Turkey. [Bahtiyar, H.; Barlas, E.; Cankocak, K.; Vardarli, F. I.; Yuecel, M.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.; Sorokin, P.] Kharkov Inst Phys & Technol, Natl Sci Ctr, 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.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Radburn-Smith, B. C.; Shepherd-Themistocleous, C. H.; Tomalin, I. R.; Womersley, W. J.; Lucas, R.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Bainbridge, R.; Buchmuller, O.; Burton, D.; 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.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Sparrow, A.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.; Whyntie, T.] Imperial Coll, 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. [Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; John, J. St.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Alimena, J.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.] 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.; Erbacher, R.; Gardner, M.; Houtz, R.; Ko, W.; Kopecky, A.; Lander, R.; Miceli, T.; Pellett, D.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Smith, J.; Squires, M.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Andreev, V.; Cline, D.; Cousins, R.; Erhan, S.; Everaerts, P.; Farrell, C.; Felcini, M.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Rakness, G.; Schlein, P.; Takasugi, E.; Traczyk, P.] Univ Calif Los Angeles, Los Angeles, CA USA. [Valuev, V.; Weber, M.; Babb, J.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Jandir, P.; Liu, H.; Long, O. R.; Luthra, A.; Nguyen, H.; Paramesvaran, S.; Sturdy, J.; Sumowidagdo, S.; Wilken, R.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Evans, D.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Macneill, I.; Padhi, S.; Palmer, C.; Petrucciani, G.; Pieri, M.; Sani, M.; Sharma, V.; 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.; Campagnari, C.; D'Alfonso, M.; Danielson, T.; Flowers, K.; Geffert, P.; George, C.; Golf, F.; Incandela, J.; Justus, C.; Kalavase, P.; Kovalskyi, D.; Krutelyov, V.; Lowette, S.; Villalba, R. Magana; McColl, N.; Pavlunin, V.; 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.; Bunn, J.; Chen, Y.; Di Marco, E.; Duarte, J.; Kcira, D.; Ma, Y.; Mott, A.; Newman, H. B.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Veverka, J.; Wilkinson, R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Liu, Y. F.; Paulini, M.; Russ, J.; 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; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. 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Tinoco Mendes, Andre David/D-4314-2011; Vilela Pereira, Antonio/L-4142-2016; Sznajder, Andre/L-1621-2016; Mundim, Luiz/A-1291-2012; 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; Dremin, Igor/K-8053-2015; Hoorani, Hafeez/D-1791-2013; Leonidov, Andrey/M-4440-2013; Andreev, Vladimir/M-8665-2015; Cakir, Altan/P-1024-2015; Matorras, Francisco/I-4983-2015; TUVE', Cristina/P-3933-2015; KIM, Tae Jeong/P-7848-2015; Azarkin, Maxim/N-2578-2015; de Jesus Damiao, Dilson/G-6218-2012; Flix, Josep/G-5414-2012; Della Ricca, Giuseppe/B-6826-2013; Dubinin, Mikhail/I-3942-2016; Lazzizzera, Ignazio/E-9678-2015; Sen, Sercan/C-6473-2014; 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; ciocci, maria agnese /I-2153-2015; Bedoya, Cristina/K-8066-2014; My, Salvatore/I-5160-2015; Rovelli, Tiziano/K-4432-2015; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Benussi, Luigi/O-9684-2014; Russ, James/P-3092-2014; Ragazzi, Stefano/D-2463-2009; Leonidov, Andrey/P-3197-2014; vilar, rocio/P-8480-2014; Yazgan, Efe/A-4915-2015; Dahms, Torsten/A-8453-2015; Grandi, Claudio/B-5654-2015; Chinellato, Jose Augusto/I-7972-2012; Bernardes, Cesar Augusto/D-2408-2015; Raidal, Martti/F-4436-2012 OI 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; Ligabue, Franco/0000-0002-1549-7107; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Codispoti, Giuseppe/0000-0003-0217-7021; Dudko, Lev/0000-0002-4462-3192; Novaes, Sergio/0000-0003-0471-8549; Montanari, Alessandro/0000-0003-2748-6373; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; Yazgan, Efe/0000-0001-5732-7950; Paganoni, Marco/0000-0003-2461-275X; Gulmez, Erhan/0000-0002-6353-518X; Tinoco Mendes, Andre David/0000-0001-5854-7699; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Mundim, Luiz/0000-0001-9964-7805; 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; Matorras, Francisco/0000-0003-4295-5668; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; de Jesus Damiao, Dilson/0000-0002-3769-1680; Flix, Josep/0000-0003-2688-8047; Della Ricca, Giuseppe/0000-0003-2831-6982; Dubinin, Mikhail/0000-0002-7766-7175; Lazzizzera, Ignazio/0000-0001-5092-7531; Sen, Sercan/0000-0001-7325-1087; 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; ciocci, maria agnese /0000-0003-0002-5462; Bedoya, Cristina/0000-0001-8057-9152; My, Salvatore/0000-0002-9938-2680; Rovelli, Tiziano/0000-0002-9746-4842; Vogel, Helmut/0000-0002-6109-3023; Ferguson, Thomas/0000-0001-5822-3731; Benussi, Luigi/0000-0002-2363-8889; Russ, James/0000-0001-9856-9155; Ragazzi, Stefano/0000-0001-8219-2074; Dahms, Torsten/0000-0003-4274-5476; Grandi, Claudio/0000-0001-5998-3070; Chinellato, Jose Augusto/0000-0002-3240-6270; FU BMWF (Austria); FWF (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); CAPES (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MEYS (Bulgaria); CERN; CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER (Estonia) [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 (Republic of Korea); WCU (Republic of Korea); LAS (Lithuania); CINVESTAV; CONACYT; SEP; 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); SEIDI (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter (Thailand); IPST (Thailand); NSTDA (Thailand); TUBITAK (Turkey); TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE (USA); NSF (USA) FX The authors thank J. Campbell, R. Frederix, and J. Owens for their substantial contributions to this work. We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centers and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses. Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: BMWF and FWF (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MEYS (Bulgaria); CERN; CAS, MoST, and NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER, SF0690030s09 and ERDF (Estonia); Academy of Finland, 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 (Republic of 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); SEIDI and CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter, IPST and NSTDA (Thailand); TUBITAK and TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE and NSF (USA). NR 47 TC 5 Z9 5 U1 4 U2 150 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD DEC 23 PY 2013 VL 88 IS 11 AR 112009 DI 10.1103/PhysRevD.88.112009 PG 17 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 278KK UT WOS:000328889000001 ER PT J AU Lopatina, LM Selinger, JV AF Lopatina, Lena M. Selinger, Jonathan V. TI Polymer-disordered liquid crystals: Susceptibility to an electric field SO PHYSICAL REVIEW E LA English DT Article ID LONG-RANGE ORDER; BLUE PHASES AB When nematic liquid crystals are embedded in random polymer networks, the disordered environment disrupts the long-range order, producing a glassy state. If an electric field is applied, it induces large and fairly temperature-independent orientational order. To understand the experiments, we simulate a liquid crystal in a disordered polymer network, visualize the domain structure, and calculate the response to a field. Furthermore, using an Imry-Ma-like approach we predict the domain size and estimate the field-induced order. The simulations and analytic results agree with each other, and suggest how the materials can be optimized for electro-optic applications. C1 [Lopatina, Lena M.; Selinger, Jonathan V.] Kent State Univ, Inst Liquid Crystal, Kent, OH 44242 USA. RP Lopatina, LM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jselinge@kent.edu FU National Science Foundation [DMR-1106014] FX We would like to thank D.-K. Yang for many helpful discussions. This work was supported by the National Science Foundation through Grant No. DMR-1106014. NR 15 TC 0 Z9 0 U1 1 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 EI 1550-2376 J9 PHYS REV E JI Phys. Rev. E PD DEC 23 PY 2013 VL 88 IS 6 AR 062510 DI 10.1103/PhysRevE.88.062510 PG 5 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 278KM UT WOS:000328889200012 PM 24483471 ER PT J AU Somenahally, AC Mosher, JJ Yuan, T Podar, M Phelps, TJ Brown, SD Yang, ZK Hazen, TC Arkin, AP Palumbo, AV Van Nostrand, JD Zhou, JZ Elias, DA AF Somenahally, Anil C. Mosher, Jennifer J. Yuan, Tong Podar, Mircea Phelps, Tommy J. Brown, Steven D. Yang, Zamin K. Hazen, Terry C. Arkin, Adam P. Palumbo, Anthony V. Van Nostrand, Joy D. Zhou, Jizhong Elias, Dwayne A. TI Hexavalent Chromium Reduction under Fermentative Conditions with Lactate Stimulated Native Microbial Communities SO PLOS ONE LA English DT Article ID DESULFOVIBRIO-VULGARIS; METHANOGENIC BACTERIA; CR(VI) REDUCTION; URANIUM; BIOREMEDIATION; RESISTANCE; BIOREDUCTION; GROUNDWATER; PELOSINUS; AQUIFER AB Microbial reduction of toxic hexavalent chromium (Cr(VI)) in-situ is a plausible bioremediation strategy in electron-acceptor limited environments. However, higher [Cr(VI)] may impose stress on syntrophic communities and impact community structure and function. The study objectives were to understand the impacts of Cr(VI) concentrations on community structure and on the Cr(VI)-reduction potential of groundwater communities at Hanford, WA. Steady state continuous flow bioreactors were used to grow native communities enriched with lactate (30 mM) and continuously amended with Cr(VI) at 0.0 (No-Cr), 0.1 (Low-Cr) and 3.0 (High-Cr) mg/L. Microbial growth, metabolites, Cr(VI), 16S rRNA gene sequences and GeoChip based functional gene composition were monitored for 15 weeks. Temporal trends and differences in growth, metabolite profiles, and community composition were observed, largely between Low-Cr and High-Cr bioreactors. In both High-Cr and Low-Cr bioreactors, Cr(VI) levels were below detection from week 1 until week 15. With lactate enrichment, native bacterial diversity substantially decreased as Pelosinus spp., and Sporotalea spp., became the dominant groups, but did not significantly differ between Cr concentrations. The Archaea diversity also substantially decreased after lactate enrichment from Methanosaeta (35%), Methanosarcina (17%) and others, to mostly Methanosarcina spp. (95%). Methane production was lower in High-Cr reactors suggesting some inhibition of methanogens. Several key functional genes were distinct in Low-Cr bioreactors compared to High-Cr. Among the Cr resistant microbes, Burkholderia vietnamiensis, Comamonas testosterone and Ralstonia pickettii proliferated in Cr amended bioreactors. In-situ fermentative conditions facilitated Cr(VI) reduction, and as a result 3.0 mg/L Cr(VI) did not impact the overall bacterial community structure. C1 [Somenahally, Anil C.; Mosher, Jennifer J.; Podar, Mircea; Phelps, Tommy J.; Brown, Steven D.; Yang, Zamin K.; Hazen, Terry C.; Arkin, Adam P.; Palumbo, Anthony V.; Van Nostrand, Joy D.; Zhou, Jizhong; Elias, Dwayne A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, ENIGMA Ecosyst & Networks Integrated Genes & Mol, Berkeley, CA 94720 USA. [Somenahally, Anil C.; Mosher, Jennifer J.; Yuan, Tong; Phelps, Tommy J.; Brown, Steven D.; Yang, Zamin K.; Hazen, Terry C.; Palumbo, Anthony V.; Elias, Dwayne A.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Hazen, Terry C.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN USA. [Hazen, Terry C.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN USA. [Hazen, Terry C.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Phelps, Tommy J.; Brown, Steven D.; Hazen, Terry C.; Palumbo, Anthony V.; Elias, Dwayne A.] Univ Tennessee, Joint Biol Sci Inst, Knoxville, TN USA. [Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Yuan, Tong; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Dept Bot, Norman, OK 73019 USA. RP Elias, DA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, ENIGMA Ecosyst & Networks Integrated Genes & Mol, Berkeley, CA 94720 USA. EM eliasda@ornl.gov RI Brown, Steven/A-6792-2011; Van Nostrand, Joy/F-1740-2016; Palumbo, Anthony/A-4764-2011; Arkin, Adam/A-6751-2008; Hazen, Terry/C-1076-2012; OI Brown, Steven/0000-0002-9281-3898; Van Nostrand, Joy/0000-0001-9548-6450; Palumbo, Anthony/0000-0002-1102-3975; Arkin, Adam/0000-0002-4999-2931; Hazen, Terry/0000-0002-2536-9993; Mosher, Jennifer/0000-0001-6976-2036; Podar, Mircea/0000-0003-2776-0205 FU Office of Science, Office of Biological and Environmental Research, of the U. S. Department of Energy [DE-AC02-05CH11231]; Department of Energy [DE-AC05-00OR22725] FX This work conducted by ENIGMA- Ecosystems and Networks Integrated with Genes and Molecular Assemblies (http://enigma.lbl.gov), a Scientific Focus Area Program at Lawrence Berkeley National Laboratory, 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. Oak Ridge National Laboratory is managed by University of Tennessee UT-Battelle LLC for the Department of Energy under contract number DE-AC05-00OR22725. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 38 TC 4 Z9 4 U1 6 U2 64 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD DEC 23 PY 2013 VL 8 IS 12 AR e83909 DI 10.1371/journal.pone.0083909 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 278IG UT WOS:000328882000131 PM 24376771 ER PT J AU Flege, JI Kaemena, B Meyer, A Falta, J Senanayake, SD Sadowski, JT Eithiraj, RD Krasovskii, EE AF Flege, Jan Ingo Kaemena, Bjoern Meyer, Axel Falta, Jens Senanayake, Sanjaya D. Sadowski, Jerzy T. Eithiraj, R. D. Krasovskii, Eugene E. TI Origin of chemical contrast in low-energy electron reflectivity of correlated multivalent oxides: The case of ceria SO PHYSICAL REVIEW B LA English DT Article ID BAND-STRUCTURE CALCULATIONS; THIN-FILMS; PHOTOEMISSION; CATALYSTS; SPECTRA; DIFFRACTION AB A combined experimental and theoretical study of the local chemistry of cerium oxide films and islands on Ru(0001) is presented. Based on intensity-voltage low-energy electron microscopy [I(V)-LEEM] and resonant x-ray photoemission spectroscopy, we establish a one-to-one correspondence between the local oxidation state of Ce3+ [cubic Ce2O3(111)] and Ce4+ [cubic CeO2(111)] and their respective spatially resolved I (V) curves. Ab initio scattering theory explains the difference between the I (V) curves in the low-energy range in terms of the k(parallel to) = 0 projected band structure arising from the different structure of the Ce 5d states in fully oxidized and reduced ceria. The theoretical analysis unambiguously attributes the LEEM contrast observed for chemically reduced cerium oxide to a variation in oxidation state on the nanometer scale, which is not present for the as-grown islands. C1 [Flege, Jan Ingo; Kaemena, Bjoern; Meyer, Axel; Falta, Jens] Univ Bremen, Inst Solid State Phys, D-28359 Bremen, Germany. [Senanayake, Sanjaya D.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Sadowski, Jerzy T.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Eithiraj, R. D.; Krasovskii, Eugene E.] DIPC, San Sebastian 20018, Basque Country, Spain. [Krasovskii, Eugene E.] Univ Pais Vasco Euskal Herriko Unibertsitatea, Fac Ciencias Quim, Dept Fis Mat, San Sebastian 20080, Basque Country, Spain. [Krasovskii, Eugene E.] Basque Fdn Sci, IKERBASQUE, Bilbao 48011, Spain. RP Flege, JI (reprint author), Univ Bremen, Inst Solid State Phys, Otto Hahn Allee 1, D-28359 Bremen, Germany. EM flege@ifp.uni-bremen.de RI Flege, Jan Ingo/J-6354-2012; Krasovskii, Eugene/F-4722-2012; Senanayake, Sanjaya/D-4769-2009; COST, CM1104/I-8057-2015; Falta, Jens/F-4821-2016; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; OI Flege, Jan Ingo/0000-0002-8346-6863; Senanayake, Sanjaya/0000-0003-3991-4232; Falta, Jens/0000-0002-4154-822X; Sadowski, Jerzy/0000-0002-4365-7796 FU US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Spanish Ministerio de Ciencia e Innovacion [FIS2010-19609-C02-02]; COST Action [CM1104] FX The authors would like to thank Percy Zahl, Peter Sutter (CFN, BNL), Gary Nintzel (NSLS, BNL), and Jurgen Lauckner (University of Bremen) for technical support as well as Veronica Ganduglia-Pirovano and Gustavo Murgida for helpful discussions. Research carried out in part at the Center for Functional Nanomaterials and the National Synchrotron Light Source, Brookhaven National Laboratory, which is supported by the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Partial support from the Spanish Ministerio de Ciencia e Innovacion (Grant No. FIS2010-19609-C02-02) and the COST Action CM1104 is gratefully acknowledged. NR 49 TC 8 Z9 8 U1 1 U2 36 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 23 PY 2013 VL 88 IS 23 AR 235428 DI 10.1103/PhysRevB.88.235428 PG 7 WC Physics, Condensed Matter SC Physics GA 278KA UT WOS:000328888000002 ER PT J AU Zhou, Q Coh, S Cohen, ML Louie, SG Zettl, A AF Zhou, Qin Coh, Sinisa Cohen, Marvin L. Louie, Steven G. Zettl, A. TI Imprint of transition metal d orbitals on a graphene Dirac cone SO PHYSICAL REVIEW B LA English DT Article ID ENHANCED RAMAN-SCATTERING; CARBON NANOTUBES; COPPER FOILS; SPECTROSCOPY; STRAIN AB We investigate the influence of SiO2, Au, Ag, Cu, and Pt substrates on the Raman spectrum of graphene. Experiments reveal particularly strong modifications to the Raman signal of graphene on platinum, compared to that of suspended graphene. The modifications strongly depend on the relative orientation of the graphene and platinum lattices. These observations are theoretically investigated and shown to originate basically from hybridization of electronic states in graphene and d orbitals in platinum. It is expected that, quite generally, hybridization between graphene and any material with d orbitals near the Fermi level will result in an imprint on the graphene Dirac cone, which depends sensitively on the relative orientation of the respective lattices. C1 [Zhou, Qin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zhou, Q (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Zettl, Alex/O-4925-2016 OI Zettl, Alex/0000-0001-6330-136X FU sp2-bonded Materials Program of the Lawrence Berkeley National Laboratory; Office of Energy Research, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [DMR-1206512, DMR10-1006184]; U.S. Office of Naval Research [N00014-12-1-1008]; Simons Foundation Fellowship in Theoretical Physics FX This research was supported in part by the sp2-bonded Materials Program of the Lawrence Berkeley National Laboratory funded by the Director, Office of Energy Research, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 which provided for Raman spectroscopy, theoretical Raman intensity analysis and calculations, and postdoctoral assistance; by the National Science Foundation under Grant No. DMR-1206512 which provided for graphene transfer and structural characterization; by the National Science Foundation under Grant No. DMR10-1006184 which provided ab initio band structure study; and by the U.S. Office of Naval Research under Grant No. N00014-12-1-1008 which provided for graphene growth. Computational resources have been provided by the U.S. Department of Energy at Lawrence Berkeley National Laboratory's NERSC facility. We thank C. Hwang for help with ARPES measurements, A. T. N'Diaye for help with LEED measurements, and H. Rasool for technical assistance. S. G. L. acknowledges the support of a Simons Foundation Fellowship in Theoretical Physics. NR 36 TC 13 Z9 13 U1 2 U2 27 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 23 PY 2013 VL 88 IS 23 AR 235431 DI 10.1103/PhysRevB.88.235431 PG 5 WC Physics, Condensed Matter SC Physics GA 278KA UT WOS:000328888000005 ER PT J AU Chatrchyan, S Khachatryan, V Sirunyan, A Tumasyan, A Adam, W Bergauer, T Dragicevic, M Ero, J Fabjan, C Friedl, M Fruhwirth, R Ghete, VM Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Rabady, D Rahbaran, B Rohringer, C Rohringer, H Schofbeck, R Strauss, J Taurok, A Treberer-Treberspurg, W Waltenberger, W Wulz, CE Mossolov, V Shumeiko, N Suarez Gonzalez, J Alderweireldt, S Bansal, M Bansal, S Cornelis, T De Wolf, EA Janssen, X Knutsson, A Luyckx, S Mucibello, L Ochesanu, S Roland, B Rougny, R Staykova, Z Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Kalogeropoulos, A Keaveney, J Lowette, S Maes, M Olbrechts, A Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Caillol, C Clerbaux, B De Lentdecker, G Favart, L Gay, APR Hreus, T Leonard, A Marage, PE Mohammadi, A Pernis, L Reis, T Seva, T Thomas, L Vander Velde, C Vanlaer, P Wang, J Adler, V Beernaert, K Benucci, L Cimmino, A Costantini, S Dildick, S Garcia, G Klein, B Lellouch, J Marinov, A Mccartin, J Rios, AAO Ryckbosch, D Sigamani, M Strobbe, N Thyssen, F Tytgat, M Walsh, S Yazgan, E Zaganidis, N Basegmez, S Beluffi, C Bruno, G Castello, R Caudron, A Ceard, L Da Silveira, GG Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Jez, P Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Popov, A Selvaggi, M Marono, MV Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Martins, MC Martins, T Pol, ME Souza, MHG Alda, WL Carvalho, W Chinellato, J Custdio, A Da Costa, EM Damiao, DD Martins, CD De Souza, SF Malbouisson, H Malek, M Matos Figueiredo, D Mundim, L Nogima, H Da Silva, WLP Santoro, A Sznajder, A Manganote, EJT Pereira, AV Bernardes, CA Dias, FA Tomei, TRFP Gregores, EM Lagana, C Mercadante, PG Novaes, SF Padula, SS Genchev, V Iaydjiev, P Piperov, S Rodozov, M Sultanov, G 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, X Wang, 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 Montoya, CAC Sierra, LFC Gomez, JP Moreno, BG Sanabria, JC Godinovic, N Lelas, D Plestina, R Polic, D Puljak, I Antunovic, Z Kovac, M Brigljevic, V Kadija, K Luetic, J Mekterovic, D Morovic, S Tikvica, L Attikis, A Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Finger, M Finger, M Abdelalim, AA Assran, Y Elgammal, S Ellithi Kamel, A Mahmoud, MA Radi, A Kadastik, M Muntel, M Murumaa, M Raidal, M Rebane, L Tiko, A Eerola, P Fedi, G Voutilainen, M Harkonen, J 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 Wendland, L Tuuva, T Besancon, M Couderc, F 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 Titov, M Baffioni, S Beaudette, F Benhabib, L Bluj, M Busson, P Charlot, C Daci, N Dahms, T Dalchenko, M Dobrzynski, L Florent, A 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 Brom, JM Chabert, EC Collard, C Conte, E Drouhin, F Fontaine, JC Gele, D Goerlach, U Goetzmann, C Juillot, P Le Bihan, AC Van Hove, P Gadrat, S Beauceron, S Beaupere, N Boudoul, G Brochet, S Chasserat, J Chierici, R Contardo, D Depasse, P El Mamouni, H Fan, J Fay, J Gascon, S Gouzevitch, M Ille, B Kurca, T Lethuillier, M Mirabito, L Perries, S Sgandurra, L Sordini, V Vander Donckt, M Verdier, P Viret, S Xiao, H Tsamalaidze, Z Autermann, C Beranek, S Bontenackels, M Calpas, B Edelhoff, M Feld, L Heracleous, N Hindrichs, O Klein, K 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 Knutzen, S Kreuzer, P Merschmeyer, M Meyer, A Olschewski, M Padeken, K Papacz, P Pieta, H Reithler, H Schmitz, SA Sonnenschein, L Steggemann, J Teyssier, D Thuer, S Weber, 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 Nugent, IM Perchalla, L Pooth, O Stahl, A Asin, I Bartosik, N Behr, J Behrenhoff, W Behrens, U Bell, AJ Bergholz, M Bethani, A Borras, K Burgmeier, A Cakir, A Calligaris, L Campbell, A Choudhury, S Costanza, F Pardos, CD Dooling, S Dorland, T Eckerlin, G Eckstein, D Flucke, G Geiser, A Glushkov, I Grebenyuk, A Gunnellini, P Habib, S Hauk, J Hellwig, G Horton, D Jung, H Kasemann, M Katsas, P Kleinwort, C Kluge, H Kramer, M Krucker, D Kuznetsova, E Lange, W Leonard, J Lipka, K Lohmann, W Lutz, B Mankel, R Marfin, I Melzer-Pellmann, IA Meyer, AB Mnich, J Mussgiller, A Naumann-Emme, S Novgorodova, O Nowak, F Olzem, J Perrey, H Petrukhin, A Pitzl, D Placakyte, R Raspereza, A Cipriano, PMR Riedl, C Ron, E Sahin, MA Salfeld-Nebgen, J Schmidt, R Schoerner-Sadenius, T Sen, N Stein, M Walsh, R Wissing, C Martin, MA Blobel, V Enderle, H Erfle, J Garutti, E Gebbert, U Gorner, M Gosselink, M Haller, J Heine, K Hoing, RS Kaussen, G Kirschenmann, H Klanner, R Kogler, R Lange, J Marchesini, I Peiffer, T Pietsch, N Rathjens, D Sander, C Schettler, H Schleper, P Schlieckau, E Schmidt, A Schroder, M Schum, T Seidel, M Sibille, J Sola, V Stadie, H Steinbruck, G Thomsen, J Troendle, D Usai, E Vanelderen, L Barth, C Baus, C Berger, J Boser, C Butz, E Chwalek, T De Boer, W Descroix, A Dierlamm, A Feindt, M Guthoff, M Hartmann, F Hauth, T Held, H Hoffmann, KH Husemann, U Katkov, I Komaragiri, JR Kornmayer, A Pardo, PL Martschei, D Mozer, MU Muller, T Niegel, M Nurnberg, A Oberst, O Ott, J Quast, G Rabbertz, K Ratnikov, F Rocker, S Schilling, FP Schott, G Simonis, HJ Stober, FM Ulrich, R Wagner-Kuhr, J Wayand, S Weiler, T Zeise, M Anagnostou, G Daskalakis, G Geralis, T Kesisoglou, S Kyriakis, A Loukas, D Markou, A Markou, C Ntomari, E Topsis-giotis, I Gouskos, L Panagiotou, A Saoulidou, N Stiliaris, E Aslanoglou, X Evangelou, I Flouris, G Foudas, C Kokkas, P Manthos, N Papadopoulos, I Paradas, E Bencze, G Hajdu, C Hidas, P Horvath, D Sikler, F Veszpremi, V Vesztergombi, G Zsigmond, A Beni, N Czellar, S Molnar, J Palinkas, J Szillasi, Z Karancsi, J Raics, P Trocsanyi, ZL Ujvari, B Swain, SK Beri, SB Bhatnagar, V Dhingra, N Gupta, R Kaur, M Mehta, MZ Mittal, M Nishu, N Sharma, A Singh, JB Kumar, A Kumar, A Ahuja, S Bhardwaj, A Choudhary, BC Kumar, A Malhotra, S Naimuddin, M Ranjan, K Saxena, P Sharma, V Shivpuri, RK Banerjee, S Bhattacharya, S Chatterjee, K Dutta, 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Polese, G. Ross, I. Sarangi, T. Savin, A. Smith, W. H. Swanson, J. CA CMS Collaboration TI Search for top-squark pair production in the single-lepton final state in pp collisions at SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID HADRON COLLIDERS; SUPERSYMMETRIC THEORIES; MEASURING MASSES; ATLAS DETECTOR; PARTICLE; LHC; NATURALNESS; BREAKING; BOSON AB This paper presents a search for the pair production of top squarks in events with a single isolated electron or muon, jets, large missing transverse momentum, and large transverse mass. The data sample corresponds to an integrated luminosity of 19.5 fb(-1) of pp collisions collected in 2012 by the CMS experiment at the LHC at a center-of-mass energy of . No significant excess in data is observed above the expectation from standard model processes. The results are interpreted in the context of supersymmetric models with pair production of top squarks that decay either to a top quark and a neutralino or to a bottom quark and a chargino. For small mass values of the lightest supersymmetric particle, top-squark mass values up to around 650 GeV are excluded. C1 [Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Adam, W.; Bergauer, T.; Dragicevic, M.; Ero, J.; Fabjan, C.; Friedl, M.; Fruhwirth, R.; Ghete, V. M.; Hormann, N.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Knunz, V.; Krammer, M.; Kratschmer, I.; Liko, D.; Mikulec, I.; Rabady, D.; Rahbaran, B.; Rohringer, C.; Rohringer, H.; Schofbeck, R.; Strauss, J.; Taurok, A.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C. -E.] Inst Hochenergiephys OeAW, Vienna, Austria. [Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.] Natl Ctr Particle & High Energy Phys, Minsk, Byelarus. [Alderweireldt, S.; Bansal, M.; Bansal, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Knutsson, A.; Luyckx, S.; Mucibello, L.; Ochesanu, S.; Roland, B.; Rougny, R.; Staykova, Z.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.] Univ Antwerp, B-2020 Antwerp, Belgium. [Blekman, F.; Blyweert, S.; D'Hondt, J.; Kalogeropoulos, A.; Keaveney, J.; Lowette, S.; Maes, M.; Olbrechts, A.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Villella, I.] Vrije Univ Brussel, Brussels, Belgium. [Caillol, C.; Clerbaux, B.; De Lentdecker, G.; Favart, L.; Gay, A. P. R.; Hreus, T.; Leonard, A.; Marage, P. E.; Mohammadi, A.; Pernis, L.; Reis, T.; Seva, T.; Thomas, L.; Vander Velde, C.; Vanlaer, P.; Wang, J.] Univ Libre Bruxelles, Brussels, Belgium. [Adler, V.; Beernaert, K.; Benucci, L.; Cimmino, A.; Costantini, S.; Dildick, S.; Garcia, G.; Klein, B.; Lellouch, J.; Marinov, A.; Mccartin, J.; Rios, A. A. Ocampo; Ryckbosch, D.; Sigamani, M.; Strobbe, N.; Thyssen, F.; Tytgat, M.; Walsh, S.; Yazgan, E.; Zaganidis, N.] Univ Ghent, B-9000 Ghent, Belgium. [Basegmez, S.; Beluffi, C.; Bruno, G.; Castello, R.; Caudron, A.; Ceard, L.; Da Silveira, G. G.; Delaere, C.; du Pree, T.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Jez, P.; Lemaitre, V.; Liao, J.; Militaru, O.; Nuttens, C.; Pagano, D.; Pin, A.; Piotrzkowski, K.; Popov, A.; Selvaggi, M.; Vidal Marono, M.; Vizan Garcia, J. M.] 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. [Carvalho, W.; Chinellato, J.; Custdio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Malbouisson, H.; Malek, M.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Dias, F. A.; Fernandez Perez Tomei, T. R.; Lagana, C.; Novaes, S. F.; Padula, Sandra S.] Univ Estadual Paulista, Sao Paulo, Brazil. [Bernardes, C. A.; Gregores, E. M.; Mercadante, P. G.] Univ Fed ABC, Sao Paulo, Brazil. [Genchev, V.; Iaydjiev, P.; Piperov, S.; Rodozov, M.; Sultanov, G.; 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. [Bian, J. G.; Chen, G. M.; Chen, H. S.; Jiang, C. H.; Liang, D.; Liang, S.; Meng, X.; Tao, J.; Wang, X.; Wang, 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 & Technol, Beijing 100871, Peoples R China. [Avila, C.; Carrillo Montoya, C. A.; Chaparro Sierra, L. F.; Gomez, J. P.; Gomez Moreno, B.; 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.; Kadija, K.; Luetic, J.; Mekterovic, D.; Morovic, S.; Tikvica, L.] Rudjer Boskovic Inst, Zagreb, Croatia. [Attikis, A.; 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. [Abdelalim, A. A.; Assran, Y.; Elgammal, S.; Ellithi Kamel, A.; Mahmoud, M. A.; Radi, A.] Acad Sci Res & Technol Arab Republ Egypt, Egyptian Network High Energy Phys, Cairo, Egypt. [Kadastik, M.; Muntel, M.; Murumaa, M.; Raidal, M.; Rebane, L.; Tiko, A.] NICPB, Tallinn, Estonia. [Eerola, P.; Fedi, G.; Voutilainen, M.] Univ Helsinki, Dept Phys, Helsinki, Finland. [Harkonen, J.; Karimaki, V.; Kinnunen, R.; Kortelainen, M. J.; Lampen, T.; Lassila-Perini, K.; Lehti, S.; Linden, T.; Luukka, P.; Maenpaa, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.] Helsinki Inst Phys, Helsinki, Finland. [Tuuva, T.] Lappeenranta Univ Technol, Lappeenranta, Finland. [Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Locci, E.; Malcles, J.; Millischer, L.; Nayak, A.; Rander, J.; Rosowsky, A.; Titov, M.] CEA Saclay, DSM IRFU, F-91191 Gif Sur Yvette, France. [Baffioni, S.; Beaudette, F.; Benhabib, L.; Bluj, M.; Busson, P.; Charlot, C.; Daci, N.; Dahms, T.; Dalchenko, M.; Dobrzynski, L.; Florent, A.; Granier de Cassagnac, R.; 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.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Agram, J. -L.; Andrea, J.; Bloch, D.; Brom, J. -M.; Chabert, E. C.; Collard, C.; Conte, E.; Drouhin, F.; Fontaine, J. -C.; Gele, D.; Goerlach, U.; Goetzmann, C.; Juillot, P.; Le Bihan, A. -C.; Van Hove, P.] Univ Haute Alsace Mulhouse, Univ Strasbourg, Inst Pluridisciplinaire Hubert Curien, CNRS IN2P3, Strasbourg, France. [Gadrat, S.] CNRS, IN2P3, Ctr Calcul, Inst Natl Phys Nucl & Phys Particules, Villeurbanne, France. [Beauceron, S.; Beaupere, N.; Boudoul, G.; Brochet, S.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Sgandurra, L.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Xiao, H.] 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. [Autermann, C.; Beranek, S.; Bontenackels, M.; Calpas, B.; Edelhoff, M.; Feld, L.; Heracleous, N.; Hindrichs, O.; Klein, K.; 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.; Guth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Knutzen, S.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Olschewski, M.; Padeken, K.; Papacz, P.; Pieta, H.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Steggemann, J.; Teyssier, D.; Thuer, S.; Weber, M.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Cherepanov, V.; Erdogan, Y.; Flugge, G.; Geenen, H.; Geisler, M.; Ahmad, W. Haj; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Lingemann, J.; Nowack, A.; Nugent, I. M.; Perchalla, L.; Pooth, O.; Stahl, A.] Rhein Westfal TH Aachen, Phys Inst B 3, Aachen, Germany. [Asin, I.; Bartosik, N.; Behr, J.; Behrenhoff, W.; Behrens, U.; Bell, A. J.; Bergholz, M.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Choudhury, S.; Costanza, F.; Pardos, C. Diez; Dooling, S.; Dorland, T.; Eckerlin, G.; Eckstein, D.; Flucke, G.; Geiser, A.; Glushkov, I.; Grebenyuk, A.; Gunnellini, P.; Habib, S.; Hauk, J.; Hellwig, G.; Horton, D.; Jung, H.; Kasemann, M.; Katsas, P.; Kleinwort, C.; Kluge, H.; Kramer, M.; Krucker, D.; Kuznetsova, E.; Lange, W.; Leonard, J.; Lipka, K.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Novgorodova, O.; Nowak, F.; Olzem, J.; Perrey, H.; Petrukhin, A.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Ribeiro Cipriano, P. M.; Riedl, C.; Ron, E.; Sahin, M. A.; Salfeld-Nebgen, J.; Schmidt, R.; Schoerner-Sadenius, T.; Sen, N.; Stein, M.; Walsh, R.; Wissing, C.] DESY, Hamburg, Germany. [Aldaya Martin, M.; Blobel, V.; Enderle, H.; Erfle, J.; Garutti, E.; Gebbert, U.; Gorner, M.; Gosselink, M.; Haller, J.; Heine, K.; Hoing, R. S.; Kaussen, G.; Kirschenmann, H.; Klanner, R.; Kogler, R.; Lange, J.; Marchesini, I.; Peiffer, T.; Pietsch, N.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Schroder, M.; Schum, T.; Seidel, M.; Sibille, J.; Sola, V.; Stadie, H.; Steinbruck, G.; Thomsen, J.; Troendle, D.; Usai, E.; Vanelderen, L.] Univ Hamburg, Hamburg, Germany. [Barth, C.; Baus, C.; Berger, J.; Boser, C.; Butz, E.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Guthoff, M.; Hartmann, F.; Hauth, T.; Held, H.; Hoffmann, K. H.; Husemann, U.; Katkov, I.; Komaragiri, J. R.; Kornmayer, A.; Lobelle Pardo, P.; Martschei, D.; Mozer, M. U.; Muller, Th.; Niegel, M.; Nurnberg, A.; Oberst, O.; Ott, J.; Quast, G.; Rabbertz, K.; Ratnikov, F.; Rocker, S.; Schilling, F. -P.; Schott, G.; Simonis, H. J.; Stober, F. M.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Zeise, M.] Univ Karlsruhe, Inst Expt Kernphys, Karlsruhe, Germany. [Anagnostou, G.; Daskalakis, G.; Geralis, T.; Kesisoglou, S.; Kyriakis, A.; Loukas, D.; Markou, A.; Markou, C.; Ntomari, E.; Topsis-giotis, I.] NCSR Demokritos, INPP, Aghia Paraskevi, Greece. [Gouskos, L.; Panagiotou, A.; Saoulidou, N.; Stiliaris, E.] Univ Athens, Athens, Greece. [Aslanoglou, X.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Paradas, E.] Univ Ioannina, GR-45110 Ioannina, Greece. [Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.] KFKI Res Inst Particle & Nucl Phys, Budapest, Hungary. [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. [Swain, S. K.] Natl Inst Sci Educ & Res, Bhubaneswar, Orissa, India. [Beri, S. B.; Bhatnagar, V.; Dhingra, N.; Gupta, R.; Kaur, M.; Mehta, M. Z.; Mittal, M.; Nishu, N.; Sharma, A.; Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Kumar, Ashok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Saxena, P.; Sharma, V.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dutta, S.; Gomber, B.; Jain, Sa.; Jain, Sh.; Khurana, R.; Modak, A.; Mukherjee, S.; Roy, D.; Sarkar, S.; Sharan, M.; Singh, A. P.] Saha Inst Nucl Phys, Kolkata, India. [Abdulsalam, A.; Dutta, D.; Kailas, S.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Topkar, A.] Bhabha Atom Res Ctr, Mumbai 400085, Maharashtra, India. [Aziz, T.; Chatterjee, R. M.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; 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.; Dugad, S.] Tata Inst Fundamental Res HECR, Mumbai, Maharashtra, India. [Arfaei, H.; Bakhshiansohi, H.; Etesami, S. M.; Fahim, A.; Jafari, A.; Khakzad, M.; Mohammadi Najafabadi, M.; Paktinat Mehdiabadi, S.; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran. [Grunewald, M.] Univ Coll Dublin, Dublin 2, Ireland. [Colaleo, A.; Fiore, L.; Maggi, M.; Pacifico, N.; Silvestris, L.; Verwilligen, P.; Zito, G.] INFN Sez Bari, Bari, Italy. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; De Palma, M.; Marangelli, B.; Nuzzo, S.; 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.; Cavallo, F. R.; Dallavalle, G. M.; Fabbri, F.; Giacomelli, P.; Grandi, C.; Marcellini, S.; Masetti, G.; Montanari, A.; Odorici, F.; Perrotta, A.] INFN Sez Bologna, Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Codispoti, G.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Meneghelli, M.; Navarria, F. L.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Giordano, F.] 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.; Civinini, C.; Gallo, E.; Meschini, M.; Paoletti, S.; Sguazzoni, G.] INFN Sez Firenze, Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gonzi, S.; Gori, V.; Lenzi, P.; Tropiano, A.] Univ Florence, Florence, Italy. [Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.] INFN Lab Nazl Frascati, Frascati, Italy. [Fabbricatore, P.; Ferro, F.; Musenich, R.; Robutti, E.] INFN Sez Genova, Genoa, Italy. [Ferretti, R.; Lo Vetere, M.; Tosi, S.] Univ Genoa, Genoa, Italy. [Benaglia, A.; Gennai, S.; Malvezzi, S.; Menasce, D.; Moroni, L.; Pedrini, D.; Redaelli, N.] INFN Sez Milano Bicocca, Milan, Italy. [Dinardo, M. E.; Fiorendi, S.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Manzoni, R. A.; Martelli, A.; Paganoni, M.; Ragazzi, S.; Tabarelli de Fatis, T.] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Lista, L.; Merola, M.; Paolucci, P.] INFN Sez Napoli, Naples, Italy. [De Cosa, A.; Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata Potenza, Naples, Italy. [Meola, S.] Univ G Marconi Roma, Naples, Italy. [Azzi, P.; Bacchetta, N.; Checchia, P.; Dorigo, T.; Gozzelino, A.; Lacaprara, S.; Michelotto, M.; Montecassiano, F.; Passaseo, M.; Pegoraro, M.; Torassa, E.] INFN Sez Padova, Padua, Italy. [Bisello, D.; Branca, A.; Carlin, R.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Univ Padua, Padua, Italy. [Kanishchev, K.; Lazzizzera, I.] Univ Trento Trento, Padua, Italy. INFN Sez Pavia, Pavia, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Univ Pavia, I-27100 Pavia, Italy. [Bilei, G. M.; Menichelli, M.; Saha, A.] INFN Sez Perugia, Perugia, Italy. [Biasini, M.; Fan, L.; Lariccia, P.; Mantovani, G.; Nappi, A.; Romeo, F.; Santocchia, A.; Spiezia, A.] Univ Perugia, I-06100 Perugia, Italy. [Androsov, K.; Azzurri, P.; Bagliesi, G.; Boccali, T.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Giassi, A.; Grippo, M. T.; Kraan, A.; Lomtadze, T.; Martini, L.; Moon, C. S.; Palla, F.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Venturi, A.; Verdini, P. G.] INFN Sez Pisa, Pisa, Italy. [Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Broccolo, G.; D'Agnolo, R. T.; Fiori, F.; FoA, L.; Ligabue, F.; Vernieri, C.] Scuola Normale Super Pisa, Pisa, Italy. [Cavallari, F.; Diemoz, M.; Meridiani, P.; Paramatti, R.; Rovelli, C.] INFN Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Grassi, M.; Longo, E.; Margaroli, F.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.] Univ Rome, Rome, Italy. [Biino, C.; Cartiglia, N.; Demaria, N.; Mariotti, C.; Maselli, S.; Musich, M.; Pastrone, N.; Pelliccioni, M.; Staiano, A.; Tamponi, U.] INFN Sez Torino, Turin, Italy. [Amapane, N.; Argiro, S.; Bellan, R.; Casasso, S.; Costa, M.; Degano, A.; 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.; Casarsa, M.; Cossutti, F.; Gobbo, B.; Penzo, A.; Zanetti, A.] INFN Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; La Licata, C.; Marone, M.; Montanino, D.; Schizzi, A.] Univ Trieste, Trieste, Italy. [Chang, S.; Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Kim, D. H.; Kim, G. N.; Kim, J. E.; Kong, D. J.; Lee, S.; Oh, Y. D.; Park, H.; Son, D. C.] Kyungpook Natl Univ, Daegu, South Korea. [Kim, J. Y.; Kim, Zero J.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, T. J.; Lee, K. S.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [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. [Grigelionis, I.; Juodagalvis, A.] Vilnius State Univ, Vilnius, Lithuania. [Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Lopez-Fernandez, 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 Autnoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Butler, P. H.; Doesburg, R.; Reucroft, S.; Silverwood, H.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, M.; Asghar, M. I.; Butt, J.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Qazi, S.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bialkowska, H.; Boimska, B.; Frueboes, T.; Grski, 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.; Misiura, M.; Wolszczak, W.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Almeida, N.; Bargassa, P.; Da Cruz e Silva, C. Beiro; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Nguyen, F.; Rodrigues Antunes, J.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Afanasiev, S.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Skatchkov, N.; Smirnov, V.; 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.; Pashenkov, A.; Tlisov, D.; Toropin, A.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Erofeeva, M.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Spiridonov, A.; Stolin, V.; Vlasov, E.; Zhokin, A.] Inst Theoret & Expt Phys, Moscow 117259, 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. [Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Markina, A.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; 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.; Milosevic, J.] Univ Belgrade, Fac Phys & Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Alcaraz Maestre, J.; 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.; Navarro De Martino, E.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Santaolalla, J.; Soares, M. S.; Willmott, C.] CIEMAT, E-28040 Madrid, Spain. [Albajar, C.; de Trocniz, 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.; 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.] CSIC Univ Cantabria, Inst Fis Cantabria IFCA, Santander, Spain. [Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Bendavid, J.; Benitez, J. F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Coarasa Perez, J. A.; Colafranceschi, S.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; David, A.; De Guio, F.; De Roeck, A.; De Visscher, S.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Eugster, J.; Franzoni, G.; Funk, W.; Georgiou, G.; Giffels, M.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Giunta, M.; Glege, F.; Gomez-Reino Garrido, R.; Gowdy, S.; Guida, R.; Hammer, J.; Hansen, M.; Harris, P.; Hartl, C.; Hinzmann, A.; Innocente, V.; Janot, P.; Karavakis, E.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lee, Y. -J.; Magini, N.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moser, R.; Mulders, M.; Musella, P.; Nesvold, E.; Orsini, L.; Palencia Cortezon, E.; Perez, E.; Perrozzi, L.; Petrilli, A.; Pfeiffer, A.; Pierini, M.; Pimia, M.; Piparo, D.; Plagge, M.; Quertenmont, L.; Racz, A.; Reece, W.; Rolandi, G.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schafer, C.; Schwick, C.; Sekmen, S.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Stieger, B.; Stoye, M.; Tsirou, A.; Veres, G. 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A.] Swiss Fed Inst Technol, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; Favaro, C.; Ivova Rikova, M.; Kilminster, B.; Millan Mejias, B.; Robmann, P.; Snoek, H.; Taroni, S.; Verzetti, M.; Yang, Y.] Univ Zurich, Zurich, Switzerland. [Cardaci, M.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Li, S. W.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli 32054, Taiwan. [Bartalini, P.; Chang, P.; Chang, Y. H.; 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.; Wang, M.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Suwonjandee, 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.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Karapinar, G.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; 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. [Bahtiyar, H.; Barlas, E.; Cankocak, K.; Yucel, M.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.; Sorokin, P.] Kharkov Inst Phys & Technol, Natl Sci Ctr, 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.; Lucas, C.; Meng, Z.; Metson, S.; Newbold, D. M.; Nirunpong, K.; Paramesvaran, S.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Ilic, J.; 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.; Buchmuller, O.; Burton, D.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Guneratne Bryer, A.; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Sparrow, A.; Tapper, A.; Vazquez Acosta, M.; Virdee, T.; Wakefield, S.; Wardle, N.] 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. [Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; St. John, J.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Alimena, J.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.] 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.; Erbacher, R.; Gardner, M.; Houtz, R.; Ko, W.; Kopecky, A.; Lander, R.; Miceli, T.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Smith, J.; Squires, M.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Andreev, V.; Cline, D.; Cousins, R.; Erhan, S.; Everaerts, P.; Farrell, C.; Felcini, M.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Rakness, G.; Schlein, P.; Takasugi, E.; Traczyk, P.; Valuev, V.; Weber, M.] Univ Calif Los Angeles, Los Angeles, CA USA. [Babb, J.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Jandir, P.; Liu, H.; Long, O. R.; Luthra, A.; Malberti, M.; Nguyen, H.; Shrinivas, A.; Sturdy, J.; Sumowidagdo, S.; Wilken, R.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Evans, D.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Macneill, I.; Padhi, S.; Palmer, C.; Petrucciani, G.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wurthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Campagnari, C.; Danielson, T.; Flowers, K.; Geffert, P.; George, C.; Golf, F.; Incandela, J.; Justus, C.; Kovalskyi, D.; Krutelyov, V.; Magaa Villalba, R.; Mccoll, N.; Pavlunin, V.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Di Marco, E.; Duarte, J.; Kcira, D.; Ma, Y.; Mott, A.; Newman, H. B.; Pena, C.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Veverka, J.; Wilkinson, R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Liu, Y. F.; Paulini, M.; Russ, J.; 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; Nauenberg, U.; 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.; Hopkins, W.; 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.; 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.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Gray, L.; Green, D.; Gutsche, O.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kaadze, K.; Klima, B.; Kunori, S.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Ratnikova, N.; 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.; 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.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Remington, R.; Rinkevicius, A.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; 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.; Haas, J.; Hagopian, S.; Hagopian, V.; 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.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Apanasevich, L.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Callner, J.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Kurt, P.; Lacroix, F.; Moon, D. H.; O'Brien, C.; Silkworth, C.; Strom, D.; Turner, P.; Varelas, N.] Univ Illinois, Chicago, IL USA. [Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Dilsiz, K.; Duru, F.; Griffiths, S.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Newsom, C. R.; Ogul, H.; 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.; Giurgiu, G.; Gritsan, A. V.; Hu, G.; Maksimovic, P.; Martin, C.; Swartz, M.; Whitbeck, A.] Johns Hopkins Univ, Baltimore, MD USA. [Baringer, P.; Bean, A.; Benelli, G.; Kenny, R. P., III; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Peterman, A.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Bauer, G.; Busza, W.; Cali, I. A.; Chan, M.; Di Matteo, L.; Dutta, V.; Gomez Ceballos, G.; Goncharov, M.; Gulhan, D.; Kim, Y.; Klute, M.; Lai, Y. S.; Levin, A.; Luckey, P. D.; Ma, T.; Nahn, S.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Stockli, F.; Sumorok, K.; Velicanu, D.; Wolf, R.; Wyslouch, B.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Dahmes, B.; De Benedetti, A.; Gude, A.; Haupt, J.; 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. [Acosta, J. G.; Cremaldi, L. M.; Kroeger, R.; Oliveros, S.; Perera, L.; Rahmat, R.; Sanders, D. A.; Summers, D.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Eads, M.; Suarez, R. Gonzalez; Keller, J.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Meier, F.; Snow, G. R.] Univ Nebraska Lincoln, Lincoln, NE USA. [Dolen, J.; Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Wan, Z.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Massironi, A.; Nash, D.; Orimoto, T.; Trocino, D.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Anastassov, A.; Hahn, K. A.; Kubik, A.; Lusito, L.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [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. [Antonelli, L.; Bylsma, B.; Durkin, L. S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Smith, G.; Vuosalo, C.; Winer, B. L.; Wolfe, H.] Ohio State Univ, Columbus, OH 43210 USA. [Berry, E.; Elmer, P.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zenz, S. C.; 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.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Jung, K.; Koybasi, O.; Kress, M.; Leonardo, N.; Pegna, D. Lopes; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, LA USA. [Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Covarelli, R.; Barbaro, P. de; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Miner, D. C.; Petrillo, G.; Vishnevskiy, D.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Rekovic, V.; Robles, J.; Salur, S.; Schnetzer, S.; Seitz, C.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Cerizza, G.; Hollingsworth, M.; Rose, K.; Spanier, S.; Yang, Z. C.; York, A.] Univ Tennessee, Knoxville, TN USA. [Bouhali, O.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Safonov, A.; Sakuma, T.; Suarez, I.; Tatarinov, A.; Toback, D.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Kovitanggoon, K.; Lee, S. W.; Libeiro, T.; Volobouev, I.] Texas Tech Univ, Lubbock, TX 79409 USA. [Appelt, E.; Delannoy, A. 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RI Petrushanko, Sergey/D-6880-2012; da Cruz e Silva, Cristovao/K-7229-2013; Dudko, Lev/D-7127-2012; Marlow, Daniel/C-9132-2014; de Jesus Damiao, Dilson/G-6218-2012; Lokhtin, Igor/D-7004-2012; Janssen, Xavier/E-1915-2013; Novaes, Sergio/D-3532-2012; Bartalini, Paolo/E-2512-2014; Bonacorsi, Daniele/F-1505-2014; Ligabue, Franco/F-3432-2014; Wulz, Claudia-Elisabeth/H-5657-2011; Codispoti, Giuseppe/F-6574-2014; Bellan, Riccardo/G-2139-2014; Mundim, Luiz/A-1291-2012; 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; Inst. of Physics, Gleb Wataghin/A-9780-2017; Flix, Josep/G-5414-2012; Della Ricca, Giuseppe/B-6826-2013; Tomei, Thiago/E-7091-2012; Dubinin, Mikhail/I-3942-2016; Paganoni, Marco/A-4235-2016; Kirakosyan, Martin/N-2701-2015; Gulmez, Erhan/P-9518-2015; Tinoco Mendes, Andre David/D-4314-2011; Vilela Pereira, Antonio/L-4142-2016; Sznajder, Andre/L-1621-2016; Da Silveira, Gustavo Gil/N-7279-2014; Michelotto, Michele/A-9571-2013; Matorras, Francisco/I-4983-2015; My, Salvatore/I-5160-2015; Lo Vetere, Maurizio/J-5049-2012; 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; Cakir, Altan/P-1024-2015; TUVE', Cristina/P-3933-2015; KIM, Tae Jeong/P-7848-2015; Azarkin, Maxim/N-2578-2015; Chinellato, Jose Augusto/I-7972-2012; Bernardes, Cesar Augusto/D-2408-2015; Raidal, Martti/F-4436-2012; Sen, Sercan/C-6473-2014; 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; ciocci, maria agnese /I-2153-2015; Bedoya, Cristina/K-8066-2014; Manganote, Edmilson/K-8251-2013; Paulini, Manfred/N-7794-2014; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Benussi, Luigi/O-9684-2014; Russ, James/P-3092-2014; Ragazzi, Stefano/D-2463-2009; Leonidov, Andrey/P-3197-2014; vilar, rocio/P-8480-2014; Yazgan, Efe/A-4915-2015; Dahms, Torsten/A-8453-2015; Grandi, Claudio/B-5654-2015; Montanari, Alessandro/J-2420-2012; Moon, Chang-Seong/J-3619-2014; Gribushin, Andrei/J-4225-2012; Cerrada, Marcos/J-6934-2014; Torassa, Ezio/I-1788-2012; Venturi, Andrea/J-1877-2012; Calderon, Alicia/K-3658-2014; Josa, Isabel/K-5184-2014; de la Cruz, Begona/K-7552-2014; Scodellaro, Luca/K-9091-2014; Calvo Alamillo, Enrique/L-1203-2014; VARDARLI, Fuat Ilkehan/B-6360-2013 OI Dudko, Lev/0000-0002-4462-3192; de Jesus Damiao, Dilson/0000-0002-3769-1680; Novaes, Sergio/0000-0003-0471-8549; Ligabue, Franco/0000-0002-1549-7107; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Codispoti, Giuseppe/0000-0003-0217-7021; Mundim, Luiz/0000-0001-9964-7805; 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; Flix, Josep/0000-0003-2688-8047; Della Ricca, Giuseppe/0000-0003-2831-6982; Tomei, Thiago/0000-0002-1809-5226; Dubinin, Mikhail/0000-0002-7766-7175; Paganoni, Marco/0000-0003-2461-275X; Gulmez, Erhan/0000-0002-6353-518X; Tinoco Mendes, Andre David/0000-0001-5854-7699; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Da Silveira, Gustavo Gil/0000-0003-3514-7056; Michelotto, Michele/0000-0001-6644-987X; Matorras, Francisco/0000-0003-4295-5668; My, Salvatore/0000-0002-9938-2680; Lo Vetere, Maurizio/0000-0002-6520-4480; Rovelli, Tiziano/0000-0002-9746-4842; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; Chinellato, Jose Augusto/0000-0002-3240-6270; Sen, Sercan/0000-0001-7325-1087; 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; ciocci, maria agnese /0000-0003-0002-5462; Bedoya, Cristina/0000-0001-8057-9152; Paulini, Manfred/0000-0002-6714-5787; Vogel, Helmut/0000-0002-6109-3023; Ferguson, Thomas/0000-0001-5822-3731; Benussi, Luigi/0000-0002-2363-8889; Russ, James/0000-0001-9856-9155; Ragazzi, Stefano/0000-0001-8219-2074; Dahms, Torsten/0000-0003-4274-5476; Grandi, Claudio/0000-0001-5998-3070; Montanari, Alessandro/0000-0003-2748-6373; Moon, Chang-Seong/0000-0001-8229-7829; Cerrada, Marcos/0000-0003-0112-1691; Scodellaro, Luca/0000-0002-4974-8330; Calvo Alamillo, Enrique/0000-0002-1100-2963; FU BMWF (Austria); FWF (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); CAPES (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MEYS (Bulgaria); CERN; CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER (Estonia) [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 (Republic of Korea); WCU (Republic of Korea); LAS (Lithuania); CINVESTAV (Mexico); CONACYT (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); SEIDI (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter (Thailand); IPST (Thailand); NSTDA (Thailand); TUBITAK (Turkey); TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE (USA); NSF (USA); University of California Institute for Mexico and the United States; Marie-Curie programme; European Research Council; EPLANET (European Union); Leventis Foundation; A. P. Sloan Foundation; Alexander von Humboldt Foundation; Belgian Federal Science Policy Office; Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); Ministry of Education, Youth and Sports (MEYS) of Czech Republic; Agence Nationale de la Recherche (France) [ANR-12-JS05-002-01]; Council of Science and Industrial Research, India; Compagnia di San Paolo (Torino); HOMING PLUS programme of Foundation for Polish Science; EU, Regional Development Fund; Thalis programme; Aristeia programme; EU-ESF; Greek NSRF FX We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centres and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses. Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: BMWF and FWF (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MEYS (Bulgaria); CERN; CAS, MoST, and NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); MoER, SF0690030s09 and ERDF (Estonia); Academy of Finland, 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 (Republic of 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); SEIDI and CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter, IPST and NSTDA (Thailand); TUBITAK and TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE and NSF (USA).; Individuals have received support from the University of California Institute for Mexico and the United States; the Marie-Curie programme and the European Research Council and EPLANET (European Union); the Leventis Foundation; the A. P. Sloan Foundation; the Alexander von Humboldt Foundation; the Belgian Federal Science Policy Office; the Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); the Ministry of Education, Youth and Sports (MEYS) of Czech Republic; the Agence Nationale de la Recherche ANR-12-JS05-002-01 (France); the Council of Science and Industrial Research, India; the Compagnia di San Paolo (Torino); the HOMING PLUS programme of Foundation for Polish Science, cofinanced by EU, Regional Development Fund; the Thalis and Aristeia programmes cofinanced by EU-ESF and the Greek NSRF. NR 63 TC 60 Z9 60 U1 5 U2 166 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD DEC 21 PY 2013 VL 73 IS 12 AR UNSP 2677 DI 10.1140/epjc/s10052-013-2677-2 PG 46 WC Physics, Particles & Fields SC Physics GA 278OH UT WOS:000328899100001 ER PT J AU Cotton, SJ Miller, WH AF Cotton, Stephen J. Miller, William H. TI Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electronically non-adiabatic processes SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SEMICLASSICAL DESCRIPTION; DYNAMICS AB A recently described symmetrical windowing methodology [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] for quasi-classical trajectory simulations is applied here to the Meyer-Miller [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] model for the electronic degrees of freedom in electronically non-adiabatic dynamics. Results generated using this classical approach are observed to be in very good agreement with accurate quantum mechanical results for a variety of test applications, including problems where coherence effects are significant such as the challenging asymmetric spin-boson system. (C) 2013 AIP Publishing LLC. C1 [Miller, William H.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Miller, WH (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM millerwh@berkeley.edu FU National Science Foundation (NSF) [CHE-1148645]; Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the National Science Foundation (NSF) Grant No. CHE-1148645 and by the Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 13 TC 20 Z9 20 U1 2 U2 32 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD DEC 21 PY 2013 VL 139 IS 23 AR 234112 DI 10.1063/1.4845235 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 282RV UT WOS:000329191300012 PM 24359357 ER EF