FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Yurko, JP Buongiorno, J Youngblood, R AF Yurko, Joseph P. Buongiorno, Jacopo Youngblood, Robert TI Demonstration of Emulator-Based Bayesian Calibration of Safety Analysis Codes: Theory and Formulation SO SCIENCE AND TECHNOLOGY OF NUCLEAR INSTALLATIONS LA English DT Article ID COMPUTER EXPERIMENTS; MODELS AB System codes for simulation of safety performance of nuclear plants may contain parameters whose values are not known very accurately. New information from tests or operating experience is incorporated into safety codes by a process known as calibration, which reduces uncertainty in the output of the code and thereby improves its support for decision-making. The work reported here implements several improvements on classic calibration techniques afforded by modern analysis techniques. The key innovation has come from development of code surrogate model (or code emulator) construction and prediction algorithms. Use of a fast emulator makes the calibration processes used here with Markov Chain Monte Carlo (MCMC) sampling feasible. This work uses Gaussian Process (GP) based emulators, which have been used previously to emulate computer codes in the nuclear field. The present work describes the formulation of an emulator that incorporates GPs into a factor analysis-type or pattern recognition type model. This "function factorization" Gaussian Process (FFGP) model allows overcoming limitations present in standard GP emulators, thereby improving both accuracy and speed of the emulator-based calibration process. Calibration of a friction-factor example using a Method of Manufactured Solution is performed to illustrate key properties of the FFGP based process. C1 [Yurko, Joseph P.; Buongiorno, Jacopo] MIT, Cambridge, MA 02139 USA. [Yurko, Joseph P.] FPoliSolut LLC, Murrysville, PA 15668 USA. [Youngblood, Robert] INL, Idaho Falls, ID 83415 USA. RP Yurko, JP (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM jyurko@fpolisolutions.com NR 20 TC 0 Z9 0 U1 1 U2 2 PU HINDAWI LTD PI LONDON PA ADAM HOUSE, 3RD FLR, 1 FITZROY SQ, LONDON, WIT 5HE, ENGLAND SN 1687-6075 EI 1687-6083 J9 SCI TECHNOL NUCL INS JI Sci. Technol. Nucl. Install. PY 2015 AR 839249 DI 10.1155/2015/839249 PG 17 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CP1ID UT WOS:000359628600001 ER PT J AU Fan, LL Wang, HR Lai, WL Wang, C AF Fan, Linlin Wang, Hongrui Lai, Wenli Wang, Cheng TI Administration of water resources in Beijing: problems and countermeasures SO WATER POLICY LA English DT Article DE Beijing; Management; System; Water resources ID CHINA; MANAGEMENT; URBANIZATION; CHALLENGES AB It is well recognized that climatic variability and human activities are resulting in severe water scarcity in China, especially in the mega city Beijing; one important issue is how to manage water resources in order to tackle this situation. This paper assesses the implementation of the Strictest Administration of Water Resources in Beijing, which was issued by the State Council of China in 2012. The assessment is threefold: (a) analysis of water consumption conditions in Beijing, (b) analysis of water resources management systems in Beijing, and (c) existing problems in the current water management system. Our study suggests that Beijing needs to focus more on improving the building of water resources management agencies, taking effective economic measures, strengthening law construction, developing advanced techniques for water-saving, and strengthening the building of a water-saving culture. C1 [Fan, Linlin; Wang, Hongrui; Lai, Wenli] Beijing Normal Univ, Key Lab Water & Sediment Sci, Coll Water Sci, Minist Educ, Beijing 100875, Peoples R China. [Wang, Cheng] Argonne Natl Lab, Environm Sci Div, Lemont, IL 60439 USA. RP Wang, HR (reprint author), Beijing Normal Univ, Key Lab Water & Sediment Sci, Coll Water Sci, Minist Educ, 19 Xinjiekouwai St, Beijing 100875, Peoples R China. EM henrywang@bnu.edu.cn FU National Natural Science Foundation of China [51279006, 51479003] FX This study was supported by the National Natural Science Foundation of China (Grant Nos 51279006 and 51479003). The authors would like to thank all the anonymous reviewers for their valuable comments and constructive suggestions, which led to the improvement of the presentation of this paper. NR 41 TC 1 Z9 1 U1 11 U2 22 PU IWA PUBLISHING PI LONDON PA ALLIANCE HOUSE, 12 CAXTON ST, LONDON SW1H0QS, ENGLAND SN 1366-7017 J9 WATER POLICY JI Water Policy PY 2015 VL 17 IS 4 BP 563 EP 580 DI 10.2166/wp.2014.407 PG 18 WC Water Resources SC Water Resources GA CO8BA UT WOS:000359388300001 ER PT S AU Roberts, CD AF Roberts, Crag D. GP IOP TI Hadron Physics and QCD: Just the Basic Facts SO XXXVII BRAZILIAN MEETING ON NUCLEAR PHYSICS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 37th Brazilian Meeting on Nuclear Physics (XXXVII RTFNB) CY SEP 08-12, 2014 CL Sao Paulo, BRAZIL ID PION FORM-FACTOR; QUANTUM CHROMODYNAMICS; ASYMPTOTIC FREEDOM; SUM-RULES; EXCLUSIVE PROCESSES; PERTURBATION-THEORY; SYMMETRY-BREAKING; SCALING LAWS; NUCLEON; CONFINEMENT AB With discovery of the Higgs boson, the Standard Model of Particle Physics became complete. Its formulation is a remarkable story; and the process of verification is continuing, with the most important chapter being the least well understood. Quantum Chromodynamics (QCD) is that part of the Standard Model which is supposed to describe all of nuclear physics and yet, almost fifty years after the discovery of quarks, we are only just beginning to understand how QCD moulds the basic bricks for nuclei: pious, neutrons, protons. QCD is characterized by two emergent phenomena: confinement and dynamical chiral symmetry breaking (DCSB), whose implications are extraordinary. This contribution describes how DCSB, not the Higgs boson, generates more than 98% of the visible mass in the Universe, explains why confinement guarantees that condensates, those quantities that were commonly viewed as constant mass-scales that fill all spacetime, are instead wholly contained within hadrons, and elucidates a range of observable consequences of confinement and DCSB whose measurement is the focus of a vast international experimental programme. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Roberts, CD (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM cdroberts@anl.gov NR 106 TC 7 Z9 7 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 630 AR 012051 DI 10.1088/1742-6596/630/1/012051 PG 15 WC Physics, Nuclear SC Physics GA BD3AZ UT WOS:000359434100051 ER PT S AU Sen, A Gerhard, J Torrieri, G Read, K Wong, CY AF Sen, Abhisek Gerhard, Jochen Torrieri, Giorgio Read, Kenneth Wong, Cheuk-Yin GP IOP TI Hydrodynamics from Landau initial conditions SO XXXVII BRAZILIAN MEETING ON NUCLEAR PHYSICS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 37th Brazilian Meeting on Nuclear Physics (XXXVII RTFNB) CY SEP 08-12, 2014 CL Sao Paulo, BRAZIL ID QUARK-GLUON PLASMA; RELATIVISTIC HYDRODYNAMICS; PARTON-MODEL; COLLISIONS AB We investigate ideal hydrodynamic evolution, with Landau initial conditions, both in a semi-analytical 1+1D approach and in a numerical code incorporating event-by-event variation with many events and transverse density inhomogeneities. The object of the calculation is to test how fast would a Landau initial condition transition to a commonly used boost-invariant expansion. We show that the transition to boost-invariant flow occurs too late for realistic setups, with corrections of O (20 - 30%) expected at freezeout for most scenarios. Moreover, the deviation from boost-invariance is correlated with both transverse flow and elliptic flow, with the more highly transversely flowing regions also showing the most violation of boost invariance. Therefore, if longitudinal flow is not fully developed at the early stages of heavy ion collisions, 2+1 dimensional hydrodynamics is inadequate to extract transport coefficients of the quark-gluon plasma. Based on [1, 2] C1 [Sen, Abhisek; Read, Kenneth] Univ Tennessee, Knoxville, TN 37996 USA. [Gerhard, Jochen] FIAS, Frankfurt, Germany. [Torrieri, Giorgio] Univ Estadual Campinas, IFGW, Sao Paulo, Brazil. [Read, Kenneth; Wong, Cheuk-Yin] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Sen, A (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM torrieri@ifi.unicamp.br RI Sen, Abhisek/J-1157-2016; OI Sen, Abhisek/0000-0003-1192-3938; Read, Kenneth/0000-0002-3358-7667 NR 36 TC 0 Z9 0 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 630 AR 012042 DI 10.1088/1742-6596/630/1/012042 PG 10 WC Physics, Nuclear SC Physics GA BD3AZ UT WOS:000359434100042 ER PT J AU Zhou, T Gao, Y Zhu, JX AF Zhou, Tao Gao, Yi Zhu, Jian-Xin TI "Nodal Gap'' Induced by the Incommensurate Diagonal Spin Density Modulation in Underdoped High-T-c Superconductors SO ADVANCES IN CONDENSED MATTER PHYSICS LA English DT Article ID QUASI-PARTICLE STATES; BI2SR2CACU2O8+DELTA; LA2-XSR(X)CUO4; PSEUDOGAP; ORDER AB Recently it was revealed that the whole Fermi surface is fully gapped for several families of underdoped cuprates. The existence of the finite energy gap along the d-wave nodal lines (nodal gap) contrasts the common understanding of the d-wave pairing symmetry, which challenges the present theories for the high-T-c superconductors. Here we propose that the incommensurate diagonal spin-density-wave order can account for the above experimental observation. The Fermi surface and the local density of states are also studied. Our results are in good agreement with many important experiments in high-T-c superconductors. C1 [Zhou, Tao] Nanjing Univ Aeronaut & Astronaut, Coll Sci, Nanjing 210016, Jiangsu, Peoples R China. [Gao, Yi] Nanjing Normal Univ, Dept Phys, Nanjing 210023, Jiangsu, Peoples R China. [Gao, Yi] Nanjing Normal Univ, Inst Theoret Phys, Nanjing 210023, Jiangsu, Peoples R China. [Zhu, Jian-Xin] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Zhu, Jian-Xin] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Zhou, T (reprint author), Nanjing Univ Aeronaut & Astronaut, Coll Sci, Nanjing 210016, Jiangsu, Peoples R China. EM tzhou@nuaa.edu.cn FU NSFC [11374005, 11204138]; NCET [NCET-12-0626]; NSF of Jiangsu Province of China [BK2012450]; Jiangsu Qingnan Engineering project; U.S. DOE Office of Basic Energy Sciences FX This work was supported by the NSFC (Grants nos. 11374005 and 11204138), the NCET (Grant no. NCET-12-0626), NSF of Jiangsu Province of China (Grant no. BK2012450), Jiangsu Qingnan Engineering project, and U.S. DOE Office of Basic Energy Sciences. NR 38 TC 2 Z9 2 U1 1 U2 8 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-8108 EI 1687-8124 J9 ADV COND MATTER PHYS JI Adv. Condens. Matter Phys. PY 2015 AR 652424 DI 10.1155/2015/652424 PG 8 WC Physics, Condensed Matter SC Physics GA CO1KW UT WOS:000358914500001 ER PT J AU Nesvizhevsky, VV Antoniadis, I Baessler, S Pignol, G AF Nesvizhevsky, Valery V. Antoniadis, Ignatios Baessler, Stefan Pignol, Guillaume TI Quantum Gravitational Spectroscopy SO ADVANCES IN HIGH ENERGY PHYSICS LA English DT Editorial Material ID NEUTRONS; STATES; FIELD C1 [Nesvizhevsky, Valery V.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. [Antoniadis, Ignatios] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Baessler, Stefan] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Baessler, Stefan] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Pignol, Guillaume] Lab Phys Subatom & Cosmol IN2P3 UJF INPG, F-38000 Grenoble, France. RP Nesvizhevsky, VV (reprint author), Inst Max Von Laue Paul Langevin, BP 156X, F-38042 Grenoble, France. EM nesvizhevsky@ill.eu NR 12 TC 0 Z9 0 U1 1 U2 4 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-7357 EI 1687-7365 J9 ADV HIGH ENERGY PHYS JI Adv. High. Energy Phys. PY 2015 AR 467409 DI 10.1155/2015/467409 PG 2 WC Physics, Particles & Fields SC Physics GA CO5RT UT WOS:000359216900001 ER PT J AU Fielding, MD Chiu, JC Hogan, RJ Feingold, G Eloranta, E O'Connor, EJ Cadeddu, MP AF Fielding, M. D. Chiu, J. C. Hogan, R. J. Feingold, G. Eloranta, E. O'Connor, E. J. Cadeddu, M. P. TI Joint retrievals of cloud and drizzle in marine boundary layer clouds using ground-based radar, lidar and zenith radiances SO ATMOSPHERIC MEASUREMENT TECHNIQUES LA English DT Article ID LIQUID WATER PATH; STRATOCUMULUS CLOUDS; STRATUS CLOUD; MICROWAVE RADIOMETER; SPATIAL VARIABILITY; STRATIFORM CLOUDS; EFFECTIVE RADIUS; DOPPLER RADAR; DROPLET SIZE; RAIN RATE AB Active remote sensing of marine boundary-layer clouds is challenging as drizzle drops often dominate the observed radar reflectivity. We present a new method to simultaneously retrieve cloud and drizzle vertical profiles in drizzling boundary-layer clouds using surface-based observations of radar reflectivity, lidar attenuated backscatter, and zenith radiances under conditions when precipitation does not reach the surface. Specifically, the vertical structure of droplet size and water content of both cloud and drizzle is characterised throughout the cloud. An ensemble optimal estimation approach provides full error statistics given the uncertainty in the observations. To evaluate the new method, we first perform retrievals using synthetic measurements from large-eddy simulation snapshots of cumulus under stratocumulus, where cloud water path is retrieved with an error of 31 g m(-2). The method also performs well in non-drizzling clouds where no assumption of the cloud profile is required. We then apply the method to observations of marine stratocumulus obtained during the Atmospheric Radiation Measurement MAGIC deployment in the Northeast Pacific. Here, retrieved cloud water path agrees well with independent three-channel microwave radiometer retrievals, with a root mean square difference of 10-20 g m(-2). C1 [Fielding, M. D.; Chiu, J. C.; Hogan, R. J.; O'Connor, E. J.] Univ Reading, Dept Meteorol, Reading, Berks, England. [Feingold, G.] NOAA Earth Syst Res Lab, Boulder, CO USA. [Eloranta, E.] Univ Wisconsin, Ctr Space Sci & Engn, Madison, WI 53706 USA. [O'Connor, E. J.] Finnish Meteorol Inst, FIN-00101 Helsinki, Finland. [Cadeddu, M. P.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Fielding, MD (reprint author), Univ Reading, Dept Meteorol, Reading, Berks, England. EM m.d.fielding@pgr.reading.ac.uk RI Chiu, Christine/E-5649-2013; Hogan, Robin/M-6549-2016; Feingold, Graham/B-6152-2009; Manager, CSD Publications/B-2789-2015 OI Chiu, Christine/0000-0002-8951-6913; Hogan, Robin/0000-0002-3180-5157; FU Office of Science (BER), DOE [DE-SC0006933, DE-SC0007233, DE-SC0011666] FX ARM data are made available online through the US Department of Energy (DOE) as part of the Atmospheric Radiation Measurement Program at http://www.archive.arm.gov. This research was supported by the Office of Science (BER), DOE under grants DE-SC0006933, DE-SC0007233 and DE-SC0011666. Huiwen Xue is thanked for producing the large eddy simulations. The authors would like to thank Ernie Lewis and all those involved in making MAGIC happen. We acknowledge Horizon Lines and the Captain and crew of the Horizon Spirit for their and their hospitality, and the AMF2 technicians who performed the measurements. In particular we would like to thank David Troyan and Tami Toto for ship movement correction and Laurie Gregory, Richard Wagener and Cimel Electronique for their help with deploying the Cimel sun photometer on the ship. NR 84 TC 3 Z9 3 U1 3 U2 9 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1867-1381 EI 1867-8548 J9 ATMOS MEAS TECH JI Atmos. Meas. Tech. PY 2015 VL 8 IS 7 BP 2663 EP 2683 DI 10.5194/amt-8-2663-2015 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CN9WA UT WOS:000358799900003 ER PT J AU Heymann, J Reuter, M Hilker, M Buchwitz, M Schneising, O Bovensmann, H Burrows, JP Kuze, A Suto, H Deutscher, NM Dubey, MK Griffith, DWT Hase, F Kawakami, S Kivi, R Morino, I Petri, C Roehl, C Schneider, M Sherlock, V Sussmann, R Velazco, VA Warneke, T Wunch, D AF Heymann, J. Reuter, M. Hilker, M. Buchwitz, M. Schneising, O. Bovensmann, H. Burrows, J. P. Kuze, A. Suto, H. Deutscher, N. M. Dubey, M. K. Griffith, D. W. T. Hase, F. Kawakami, S. Kivi, R. Morino, I. Petri, C. Roehl, C. Schneider, M. Sherlock, V. Sussmann, R. Velazco, V. A. Warneke, T. Wunch, D. TI Consistent satellite XCO2 retrievals from SCIAMACHY and GOSAT using the BESD algorithm SO ATMOSPHERIC MEASUREMENT TECHNIQUES LA English DT Article ID GASES OBSERVING SATELLITE; ATMOSPHERIC CO2; THIN CLOUDS; SPACE; VALIDATION; CALIBRATION; MISSION; ERRORS; TCCON; CARBONTRACKER AB Consistent and accurate long-term data sets of global atmospheric concentrations of carbon dioxide (CO2) are required for carbon cycle and climate-related research. However, global data sets based on satellite observations may suffer from inconsistencies originating from the use of products derived from different satellites as needed to cover a long enough time period. One reason for inconsistencies can be the use of different retrieval algorithms. We address this potential issue by applying the same algorithm, the Bremen Optimal Estimation DOAS (BESD) algorithm, to different satellite instruments, SCIAMACHY on-board ENVISAT (March 2002-April 2012) and TANSO-FTS onboard GOSAT (launched in January 2009), to retrieve XCO2, the column-averaged dry-air mole fraction of CO2. BESD has been initially developed for SCIAMACHY XCO2 retrievals. Here, we present the first detailed assessment of the new GOSAT BESD XCO2 product. GOSAT BESD XCO2 is a product generated and delivered to the MACC project for assimilation into ECMWF's Integrated Forecasting System. We describe the modifications of the BESD algorithm needed in order to retrieve XCO2 from GOSAT and present de-tailed comparisons with ground-based observations of XCO2 from the Total Carbon Column Observing Network (TCCON). We discuss detailed comparison results between all three XCO2 data sets (SCIAMACHY, GOSAT and TCCON). The comparison results demonstrate the good consistency between SCIAMACHY and GOSAT XCO2. For example, we found a mean difference for daily averages of -0.60 +/- 1.56 ppm (mean difference +/- standard deviation) for GOSAT-SCIAMACHY (linear correlation coefficient r = 0.82), -0.34 +/- 1.37 ppm (r = 0.86) for GOSAT-TCCON and 0.10 +/- 1.79 ppm (r = 0.75) for SCIAMACHY-TCCON. The remaining differences between GOSAT and SCIAMACHY are likely due to non-perfect collocation (+/- 2 h, 10 degrees x 10 degrees around TCCON sites), i.e. the observed air masses are not exactly identical but likely also due to a still non-perfect BESD retrieval algorithm, which will be continuously improved in the future. Our overarching goal is to generate a satellite-derived XCO2 data set appropriate for climate and carbon cycle research covering the longest possible time period. We therefore also plan to extend the existing SCIAMACHY and GOSAT data set discussed here by also using data from other missions (e.g. OCO-2, GOSAT-2, CarbonSat) in the future. C1 [Heymann, J.; Reuter, M.; Hilker, M.; Buchwitz, M.; Schneising, O.; Bovensmann, H.; Burrows, J. P.; Deutscher, N. M.; Petri, C.; Warneke, T.] Univ Bremen, Inst Environm Phys IUP, D-28359 Bremen, Germany. [Kuze, A.; Suto, H.; Kawakami, S.] Japan Aerosp Explorat Agcy JAXA, Tsukuba, Ibaraki, Japan. [Dubey, M. K.] Los Alamos Natl Lab, Los Alamos, NM USA. [Deutscher, N. M.; Griffith, D. W. T.; Velazco, V. A.] Univ Wollongong, Ctr Atmospher Chem, Wollongong, NSW, Australia. [Hase, F.; Schneider, M.] Karlsruhe Inst Technol, IMK ASF, D-76021 Karlsruhe, Germany. [Kivi, R.] Finnish Meteorol Inst, Sodankyla, Finland. [Morino, I.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan. [Roehl, C.; Wunch, D.] CALTECH, Pasadena, CA 91125 USA. [Sherlock, V.] Natl Inst Water & Atmospher Res, Wellington, New Zealand. [Sussmann, R.] Karlsruhe Inst Technol, IMK IFU, Garmisch Partenkirchen, Germany. RP Heymann, J (reprint author), Univ Bremen, Inst Environm Phys IUP, D-28359 Bremen, Germany. EM heymann@iup.physik.uni-bremen.de RI Morino, Isamu/K-1033-2014; Dubey, Manvendra/E-3949-2010; Velazco, Voltaire/H-2280-2011; Reuter, Maximilian/L-3752-2014; KUZE, AKIHIKO/J-2074-2016; Bovensmann, Heinrich/P-4135-2016; Schneider, Matthias/B-1441-2013; Sussmann, Ralf/K-3999-2012; Burrows, John/B-6199-2014 OI Morino, Isamu/0000-0003-2720-1569; Dubey, Manvendra/0000-0002-3492-790X; Velazco, Voltaire/0000-0002-1376-438X; Reuter, Maximilian/0000-0001-9141-3895; KUZE, AKIHIKO/0000-0001-5415-3377; Bovensmann, Heinrich/0000-0001-8882-4108; Burrows, John/0000-0002-6821-5580 FU EU FP7 (MACC-II); EU Horizon (MACC-III); ESA (GHG-CCI project); ESA (Living Planet Fellowship project CARBOFIRES); state of Bremen; University of Bremen FX We thank JAXA, NIES and ESA for providing us with the GOSAT L1B and L2 IDS data. We are also grateful to Jonathan de Ferranti for the development of the digital elevation model, which we used for our evaluations. We thank TCCON for providing FTS XCO2 data obtained from the TCCON Data Archive, operated by the California Institute of Technology, from the website at http://tccon.ipac.caltech.edu/. The CarbonTracker CT2013B results has been provided by NOAA ESRL, Boulder, Colorado, USA, from the website at http://carbontracker.noaa.gov. We thank NASA for providing us with the ABSCOv4 tables and ECMWF for the meteorological data. This work has been funded by the EU FP7 (MACC-II), EU Horizon 2020 (MACC-III), ESA (GHG-CCI project and Living Planet Fellowship project CARBOFIRES) and the state and the University of Bremen. NR 54 TC 11 Z9 11 U1 2 U2 21 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1867-1381 EI 1867-8548 J9 ATMOS MEAS TECH JI Atmos. Meas. Tech. PY 2015 VL 8 IS 7 BP 2961 EP 2980 DI 10.5194/amt-8-2961-2015 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CN9WA UT WOS:000358799900022 ER PT J AU Rawlins, MA McGuire, AD Kimball, JS Dass, P Lawrence, D Burke, E Chen, X Delire, C Koven, C MacDougall, A Peng, S Rinke, A Saito, K Zhang, W Alkama, R Bohn, TJ Ciais, P Decharme, B Gouttevin, I Hajima, T Ji, D Krinner, G Lettenmaier, DP Miller, P Moore, JC Smith, B Sueyoshi, T AF Rawlins, M. A. McGuire, A. D. Kimball, J. S. Dass, P. Lawrence, D. Burke, E. Chen, X. Delire, C. Koven, C. MacDougall, A. Peng, S. Rinke, A. Saito, K. Zhang, W. Alkama, R. Bohn, T. J. Ciais, P. Decharme, B. Gouttevin, I. Hajima, T. Ji, D. Krinner, G. Lettenmaier, D. P. Miller, P. Moore, J. C. Smith, B. Sueyoshi, T. TI Assessment of model estimates of land-atmosphere CO2 exchange across Northern Eurasia SO BIOGEOSCIENCES LA English DT Article AB A warming climate is altering land-atmosphere exchanges of carbon, with a potential for increased vegetation productivity as well as the mobilization of permafrost soil carbon stores. Here we investigate land-atmosphere carbon dioxide (CO2) cycling through analysis of net ecosystem productivity (NEP) and its component fluxes of gross primary productivity (GPP) and ecosystem respiration (ER) and soil carbon residence time, simulated by a set of land surface models (LSMs) over a region spanning the drainage basin of Northern Eurasia. The retrospective simulations cover the period 1960-2009 at 0.5 degrees resolution, which is a scale common among many global carbon and climate model simulations. Model performance benchmarks were drawn from comparisons against both observed CO2 fluxes derived from site-based eddy covariance measurements as well as regional-scale GPP estimates based on satellite remote-sensing data. The site-based comparisons depict a tendency for overestimates in GPP and ER for several of the models, particularly at the two sites to the south. For several models the spatial pattern in GPP explains less than half the variance in the MODIS MOD17 GPP product. Across the models NEP increases by as little as 0.01 to as much as 0.79 g Cm-2 yr(-2), equivalent to 3 to 340% of the respective model means, over the analysis period. For the multimodel average the increase is 135% of the mean from the first to last 10 years of record (1960-1969 vs. 2000-2009), with a weakening CO2 sink over the latter decades. Vegetation net primary productivity increased by 8 to 30% from the first to last 10 years, contributing to soil carbon storage gains. The range in regional mean NEP among the group is twice the multimodel mean, indicative of the uncertainty in CO2 sink strength. The models simulate that inputs to the soil carbon pool exceeded losses, resulting in a net soil carbon gain amid a decrease in residence time. Our analysis points to improvements in model elements controlling vegetation productivity and soil respiration as being needed for reducing uncertainty in land-atmosphere CO2 exchange. These advances will require collection of new field data on vegetation and soil dynamics, the development of benchmarking data sets from measurements and remote-sensing observations, and investments in future model development and intercomparison studies. C1 [Rawlins, M. A.; Dass, P.] Univ Massachusetts, Climate Syst Res Ctr, Dept Geosci, Amherst, MA 01003 USA. [McGuire, A. D.] Univ Alaska, US Geol Survey, Alaska Cooperat Fish & Wildlife Res Unit, Fairbanks, AK 99775 USA. [Kimball, J. S.] Univ Montana, NTSG, Missoula, MT 59812 USA. [Lawrence, D.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Burke, E.] Met Off Hadley Ctr, Exeter EX1 3PB, Devon, England. [Chen, X.] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA. [Delire, C.; Alkama, R.; Decharme, B.] CRNM GAME, Unite Mixte Rech CNRS Meteo France UMR 3589, F-31057 Toulouse, France. [Koven, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [MacDougall, A.] Univ Victoria, Sch Earth & Ocean Sci, Victoria, BC, Canada. [Peng, S.; Ciais, P.] CEA CNRS UVSQ, Lab Sci Climat & Environm, UMR8212, F-91191 Gif Sur Yvette, France. [Rinke, A.; Ji, D.; Moore, J. C.] Beijing Normal Univ, Coll Global Change & Earth Syst Sci, State Key Lab Earth Surface Proc & Resource Ecol, Beijing 100875, Peoples R China. [Rinke, A.] Helmholtz Ctr Polar & Marine Res, Alfred Wegener Inst, Potsdam, Germany. [Saito, K.; Hajima, T.; Sueyoshi, T.] Japan Agcy Marine Earth Sci & Technol, Dept Integrated Climate Change Project Res, Yokohama, Kanagawa, Japan. [Zhang, W.; Miller, P.; Smith, B.] Lund Univ, Dept Phys Geog & Ecosyst Sci, SE-22362 Lund, Sweden. [Bohn, T. J.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ USA. [Peng, S.; Gouttevin, I.; Krinner, G.] CNRS, F-38041 Grenoble, France. [Peng, S.; Gouttevin, I.; Krinner, G.] Univ Grenoble Alpes, LGGE, F-38041 Grenoble, France. [Gouttevin, I.] Irstea, UR HHLY, F-69626 Villeurbanne, France. [Lettenmaier, D. P.] Univ Calif Los Angeles, Dept Geog, Los Angeles, CA 90024 USA. [Sueyoshi, T.] Natl Inst Polar Res, Tachikawa, Tokyo, Japan. RP Rawlins, MA (reprint author), Univ Massachusetts, Climate Syst Res Ctr, Dept Geosci, Amherst, MA 01003 USA. EM rawlins@geo.umass.edu RI Krinner, Gerhard/A-6450-2011; Moore, John/B-2868-2013; Rinke, Annette/B-4922-2014; Lawrence, David/C-4026-2011; Peng, Shushi/J-4779-2014; Smith, Benjamin/I-1212-2016; Koven, Charles/N-8888-2014 OI Krinner, Gerhard/0000-0002-2959-5920; Moore, John/0000-0001-8271-5787; Rinke, Annette/0000-0002-6685-9219; Lawrence, David/0000-0002-2968-3023; Peng, Shushi/0000-0001-5098-726X; Smith, Benjamin/0000-0002-6987-5337; Koven, Charles/0000-0002-3367-0065 FU US National Aeronautics and Space Administration NASA [NNX11AR16G]; Permafrost Carbon Network - National Science Foundation; Office of Biological and Environmental Research, Office of Science, US Department of Energy as part of the Regional and Global Climate Modeling Program (RGCM) [DE-AC02-05CH11231]; UK DECC/Defra Met Office Hadley Centre Climate Programme [GA01101]; European Union [282700]; French Agence Nationale de la Recherche [ANR-10-CEPL-012-03] FX This research was supported by the US National Aeronautics and Space Administration NASA grant NNX11AR16G and the Permafrost Carbon Network (http://www.permafrostcarbon.org/) funded by the National Science Foundation. The MODIS Land Cover Type product data was obtained through the online Data Pool at the NASA Land Processes Distributed Active Archive Center (LP DAAC), USGS/Earth Resources Observation and Science (EROS) Center, Sioux Falls, South Dakota (https://lpdaac.usgs.gov/data_access). We thank Hans Dolman and a second reviewer for their insightful comments which helped improve the manuscript. We thank the researchers working at FLUXNET sites for making available their CO2 flux data. We also thank Eugenie Euskirchen and Dan Hayes for comments on an earlier version of the manuscript, and Yonghong Yi for assistance with the FLUXNET data. Charles Koven was supported by the Director of the Office of Biological and Environmental Research, Office of Science, US Department of Energy, under Contract DE-AC02-05CH11231 as part of the Regional and Global Climate Modeling Program (RGCM). Eleanor J. Burke was supported by the Joint UK DECC/Defra Met Office Hadley Centre Climate Programme (GA01101) and the European Union Seventh Framework Programme (FP7/2007-2013) under grant agreement no. 282700. Bertrand Decharme and Christine Delire were supported by the French Agence Nationale de la Recherche under agreement ANR-10-CEPL-012-03. Several of the authors were funded by the European Union 7th Framework Programme under project Page21 (grant 282700). Any use of trade, firm, or product names is for descriptive purposes only and does not imply endorsement by the US Government. NR 0 TC 7 Z9 7 U1 0 U2 21 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 EI 1726-4189 J9 BIOGEOSCIENCES JI Biogeosciences PY 2015 VL 12 IS 14 BP 4385 EP 4405 DI 10.5194/bg-12-4385-2015 PG 21 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA CN9WJ UT WOS:000358800900014 ER PT J AU Hyeon, T Manna, L Wong, SS AF Hyeon, Taeghwan Manna, Liberato Wong, Stanislaus S. TI Sustainable nanotechnology SO CHEMICAL SOCIETY REVIEWS LA English DT Editorial Material C1 [Hyeon, Taeghwan] Seoul Natl Univ, Sch Chem & Biol Engn, Seoul 151742, South Korea. [Hyeon, Taeghwan] Inst Basic Sci IBS, Ctr Nanoparticle Res, Seoul 151742, South Korea. [Manna, Liberato] Ist Italiano Tecnol, I-16163 Genoa, Italy. [Manna, Liberato] Delft Univ Technol, Kavli Inst Nanosci, NL-2600 Delft, Netherlands. [Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Hyeon, T (reprint author), Seoul Natl Univ, Sch Chem & Biol Engn, Seoul 151742, South Korea. EM thyeon@snu.ac.kr; liberato.manna@iit.it; stanislaus.wong@stonybrook.edu RI Manna, Liberato/G-2339-2010 OI Manna, Liberato/0000-0003-4386-7985 NR 1 TC 1 Z9 1 U1 3 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 EI 1460-4744 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2015 VL 44 IS 16 BP 5755 EP 5757 DI 10.1039/c5cs90072g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA CO1DG UT WOS:000358892500001 PM 26200931 ER PT J AU Scofield, ME Liu, HQ Wong, SS AF Scofield, Megan E. Liu, Haiqing Wong, Stanislaus S. TI A concise guide to sustainable PEMFCs: recent advances in improving both oxygen reduction catalysts and proton exchange membranes SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID METHANOL FUEL-CELLS; ENHANCED ELECTROCATALYTIC ACTIVITY; POLYMER ELECTROLYTE MEMBRANES; METAL-ORGANIC FRAMEWORKS; POLY(ETHER ETHER KETONE); ONE-POT SYNTHESIS; HIGH-TEMPERATURE; PLATINUM NANOPARTICLES; COMPOSITE MEMBRANES; HYBRID MEMBRANE AB The rising interest in fuel cell vehicle technology (FCV) has engendered a growing need and realization to develop rational chemical strategies to create highly efficient, durable, and cost-effective fuel cells. Specifically, technical limitations associated with the major constituent components of the basic proton exchange membrane fuel cell (PEMFC), namely the cathode catalyst and the proton exchange membrane (PEM), have proven to be particularly demanding to overcome. Therefore, research trends within the community in recent years have focused on (i) accelerating the sluggish kinetics of the catalyst at the cathode and (ii) minimizing overall Pt content, while simultaneously (a) maximizing activity and durability as well as (b) increasing membrane proton conductivity without causing any concomitant loss in either stability or as a result of damage due to flooding. In this light, as an example, high temperature PEMFCs offer a promising avenue to improve the overall efficiency and marketability of fuel cell technology. In this Critical Review, recent advances in optimizing both cathode materials and PEMs as well as the future and peculiar challenges associated with each of these systems will be discussed. C1 [Scofield, Megan E.; Liu, Haiqing; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM stanislaus.wong@stonybrook.edu FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy [DE-AC02-98CH10886, DE-SC00112704] FX Research funding for all authors was provided by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division, related to our studies, writing, and analyses conducted at Brookhaven National Laboratory, which is supported by the U.S. Department of Energy under Contract No. DE-AC02-98CH10886 and DE-SC00112704. We thank Christopher Koenigsmann for helpful comments and feedback. NR 96 TC 30 Z9 30 U1 33 U2 143 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 EI 1460-4744 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2015 VL 44 IS 16 BP 5836 EP 5860 DI 10.1039/c5cs00302d PG 25 WC Chemistry, Multidisciplinary SC Chemistry GA CO1DG UT WOS:000358892500007 PM 26119055 ER PT J AU Boyer, M Veron, E Becerro, AI Porcher, F Suchomel, MR Matzen, G Allix, M AF Boyer, Marina Veron, Emmanuel Becerro, Ana Isabel Porcher, Florence Suchomel, Matthew R. Matzen, Guy Allix, Mathieu TI BaGa4O7, a new A(3)BC(10)O(20) crystalline phase: synthesis, structural determination and luminescence properties SO CRYSTENGCOMM LA English DT Article ID OXIDE-ION CONDUCTIVITY; FULL CRYSTALLIZATION; SYSTEM; GALLATE; GLASS; NANOPARTICLES; TEMPERATURE; DIFFRACTION; REDUCTION; CERAMICS AB The synthesis, structural determination and luminescence properties of a new barium gallate, BaGa4O7, are reported. This crystalline material can uniquely be obtained by direct cooling from the molten state. The crystallographic structure was determined using a combination of electron, synchrotron and neutron powder diffraction data. BaGa4O7 crystallizes in the monoclinic I2/m space group with a = 15.0688(1) angstrom, b = 11.7091(1) angstrom, c = 5.1429(2) angstrom and beta = 91.0452(2)degrees and can be described as an original member of the A(3)BC(10)O(20) family. Atypical for this A(3)BC(10)O(20) structural framework, BaGa4O7 is found to contain exclusively divalent and trivalent cations. In order to maintain overall electroneutrality, disordered defect-type partial substitution of gallium and oxygen ions on barium sites occurs within the pentagonal channels of BaGa4O7. Thanks to the flexibility of this structural framework, BaGa4O7 can be heavily doped with europium and thus is shown to exhibit strong orange-red luminescence emission at 618 nm under 393 nm excitation. C1 [Boyer, Marina; Veron, Emmanuel; Matzen, Guy; Allix, Mathieu] Univ Orleans, CNRS, CEMHTI UPR 3079, F-45071 Orleans, France. [Becerro, Ana Isabel] Inst Ciencia Mat Sevilla CSIC US, Seville 41092, Spain. [Porcher, Florence] CEA Saclay, Lab Leon Brillouin CEA CNRS UMR12, F-91191 Gif Sur Yvette, France. [Suchomel, Matthew R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Boyer, M (reprint author), Univ Orleans, CNRS, CEMHTI UPR 3079, F-45071 Orleans, France. EM mathieu.allix@cnrs-orleans.fr RI VERON, Emmanuel/C-1825-2008; Allix, Mathieu/C-1679-2008; BECERRO, ANA /K-3804-2014 OI Allix, Mathieu/0000-0001-9317-1316; BECERRO, ANA /0000-0003-2243-5438 FU French ANR [ANR-12-JS08-0002]; Spanish MEC project [MAT2011-23593]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors thank the French ANR for its financial support to the project CrystOG ANR-12-JS08-0002, the Spanish MEC project MAT2011-23593 and the CRMD laboratory for TEM access. The 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. Neutron experiments were performed at the Laboratoire Leon Brillouin in Saclay (France). NR 49 TC 1 Z9 1 U1 1 U2 17 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 2015 VL 17 IS 32 BP 6127 EP 6135 DI 10.1039/c5ce01101a PG 9 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CO1LC UT WOS:000358915300008 ER PT J AU Cuttler, JM Feinendegen, LE AF Cuttler, Jerry M. Feinendegen, Ludwig E. TI COMMENTARY ON INHALED (PUO2)-P-239 IN DOGS - A PROPHYLAXIS AGAINST LUNG CANCER? SO DOSE-RESPONSE LA English DT Article DE plutonium-dioxide; inhalation; lung cancer; prophylaxis; radiation hormesis; adaptive protection ID PLUTONIUM DIOXIDE; RADIATION; (PUO2)-PU-239; IRRADIATION; EXPOSURE; BEAGLES AB Several studies on the effect of inhaled plutonium-dioxide particulates and the incidence of lung tumors in dogs reveal beneficial effects when the cumulative alpha-radiation dose is low. There is a threshold at an exposure level of about 100 cGy for excess tumor incidence and reduced lifespan. The observations conform to the expectations of the radiation hormesis dose-response model and contradict the predictions of the LNT hypothesis. These studies suggest investigating the possibility of employing low-dose alpha-radiation, such as from (PuO2)-Pu-239 inhalation, as a prophylaxis against lung cancer. C1 [Cuttler, Jerry M.] Cuttler & Associates Inc, Worcester, MA USA. [Feinendegen, Ludwig E.] Brookhaven Natl Lab, Biol Environm & Climate Sci, Upton, NY 11973 USA. RP Cuttler, JM (reprint author), 1104-11 Townsgate Dr, Vaughan, ON L4J 8G4, Canada. EM jerrycuttler@rogers.com NR 20 TC 0 Z9 0 U1 2 U2 4 PU SAGE PUBLICATIONS INC PI THOUSAND OAKS PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA SN 1559-3258 J9 DOSE-RESPONSE JI Dose-Response PD JAN-MAR PY 2015 VL 13 IS 1 DI 10.2203/dose-response.15-003.Cuttler PG 8 WC Pharmacology & Pharmacy; Radiology, Nuclear Medicine & Medical Imaging; Toxicology SC Pharmacology & Pharmacy; Radiology, Nuclear Medicine & Medical Imaging; Toxicology GA CO4RF UT WOS:000359147600015 ER PT J AU Robinson, GL Mills, GL Lindell, AH Schweitzer, SH Hernandez, SM AF Robinson, Gabrielle L. Mills, Gary L. Lindell, Angela H. Schweitzer, Sara H. Hernandez, Sonia M. TI Exposure to mercury and Aroclor 1268 congeners in least terns (Sternula antillarum) in coastal Georgia, USA SO ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS LA English DT Article ID POLYCHLORINATED BIPHENYL CONGENERS; AMONG-CLUTCH VARIATION; CROWNED NIGHT-HERONS; SUPERFUND SITE; ORGANOCHLORINE PESTICIDES; PARUS-MAJOR; TRACE-ELEMENTS; WITHIN-CLUTCH; CLAPPER RAILS; COMMON TERNS AB Concentrations of total mercury and the rare PCB mixture Aroclor 1268 in least terns (Sternula antillarum), a colonially-nesting, piscivorous seabird, in the Turtle River estuary and other coastal sites in Georgia, USA, were investigated. The Turtle River estuary is the location of the Linden Chemical Plant (LCP) Superfund site, a site prioritized by USA law for immediate remediation, where industries released effluent containing these contaminants until 1994. Aroclor 1268 is a highly-chlorinated PCB mixture that was used and released exclusively at the LCP site and nowhere else in the south eastern USA. High concentrations of Aroclor 1268 congeners and mercury have been documented in biota local to LCP, but no studies report concentrations in high trophic level, piscivorous birds such as least terns. We collected feathers and feces from chicks, and eggs from adults, at nesting colonies along the Georgia coast to analyze contaminant loads (in dry weight ppb). Mean Aroclor 1268 mixture concentrations in eggs (<= 16 329 ppb) were highest at colonies in and just outside LCP, and decreased with increasing distance (up to 110 km) from LCP, but the Aroclor 1268 signature congener mixture was present at all sites. Mercury concentrations in eggs (<= 3370 ppb), feathers (<= 5950 ppb), and feces (<= 417 ppb), were present at all sites, but did not vary significantly among sites. This report confirms the extensive dispersal of Aroclor 1268 congeners approximately 110 km north and 70 km south of its point source) via bioaccumulation and trophic transfer. C1 [Robinson, Gabrielle L.; Hernandez, Sonia M.] Univ Georgia, Warnell Sch Nat Resources, Athens, GA 30602 USA. [Robinson, Gabrielle L.] Cape Cod Natl Seashore, Wellfleet, MA USA. [Mills, Gary L.; Lindell, Angela H.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC USA. [Schweitzer, Sara H.] North Carolina Wildlife Resources Commiss, New Bern, NC USA. [Hernandez, Sonia M.] Univ Georgia, Coll Vet Med, Southeastern Cooperat Wildlife Dis Study, Athens, GA USA. RP Robinson, GL (reprint author), Univ Georgia, Warnell Sch Nat Resources, 180 E Green St, Athens, GA 30602 USA. EM gabrielle_robinson@nps.gov; gmills@srel.uga.edu; sara.schweitzer@ncwildlife.org; shernz@uga.edu FU Department of Energy Office of Environmental Management [DE-FC09-07SR22506]; Morris Animal Foundation; Georgia Ornithological Society; Manomet Center for Conservation Sciences FX We thank Tim Keyes of the Georgia Department of Natural Resources, Doug Hoffman of Cumberland Island National Seashore, Steve Calver of the Army Corps of Engineers, and all others who cooperated with us on this project, often lending their time and invaluable local insight and logistical support. We also are grateful for Sydney Sheedy and other field staff for all their hard work and long hours in the field, Shelby Weathersbee for help with PCB extractions and analysis, Nathaniel Fletcher for assistance with Hg analysis, and the Morris Animal Foundation, the Georgia Ornithological Society, and Manomet Center for Conservation Sciences, for funding this research. This work was also supported by the Department of Energy Office of Environmental Management under Award Number DE-FC09-07SR22506. NR 57 TC 2 Z9 2 U1 0 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7887 EI 2050-7895 J9 ENVIRON SCI-PROC IMP JI Environ. Sci.-Process Impacts PY 2015 VL 17 IS 8 BP 1424 EP 1432 DI 10.1039/c5em00183h PG 9 WC Chemistry, Analytical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA CO4JU UT WOS:000359127800009 PM 26166752 ER PT J AU Safta, C Ricciuto, DM Sargsyan, K Debusschere, B Najm, HN Williams, M Thornton, PE AF Safta, C. Ricciuto, D. M. Sargsyan, K. Debusschere, B. Najm, H. N. Williams, M. Thornton, P. E. TI Global sensitivity analysis, probabilistic calibration, and predictive assessment for the data assimilation linked ecosystem carbon model SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID EDDY-COVARIANCE DATA; CHAIN MONTE-CARLO; COMPLEX-MODELS; FOREST; ALGORITHMS; INVERSION; PARAMETER; INDEXES; CO2 AB In this paper we propose a probabilistic framework for an uncertainty quantification (UQ) study of a carbon cycle model and focus on the comparison between steady-state and transient simulation setups. A global sensitivity analysis (GSA) study indicates the parameters and parameter couplings that are important at different times of the year for quantities of interest (QoIs) obtained with the data assimilation linked ecosystem carbon (DALEC) model. We then employ a Bayesian approach and a statistical model error term to calibrate the parameters of DALEC using net ecosystem exchange (NEE) observations at the Harvard Forest site. The calibration results are employed in the second part of the paper to assess the predictive skill of the model via posterior predictive checks. C1 [Safta, C.; Sargsyan, K.; Debusschere, B.; Najm, H. N.] Sandia Natl Labs, Livermore, CA 94551 USA. [Ricciuto, D. M.; Thornton, P. E.] Oak Ridge Natl Lab, Environm Sci Div, Oak Ridge, TN 37831 USA. [Williams, M.] Univ Edinburgh, Sch GeoSci, Edinburgh EH9 EJN, Midlothian, Scotland. [Williams, M.] Univ Edinburgh, Natl Ctr Earth Observat, Edinburgh EH9 EJN, Midlothian, Scotland. RP Safta, C (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM csafta@sandia.gov RI Thornton, Peter/B-9145-2012; Ricciuto, Daniel/I-3659-2016; OI Thornton, Peter/0000-0002-4759-5158; Ricciuto, Daniel/0000-0002-3668-3021; Williams, Mathew/0000-0001-6117-5208 FU Office of Biological and Environmental Research in the DOE Office of Science; Scientific Discovery through Advanced Computing (SciDAC) program - US DOE, Office of Science, Advanced Scientific Computing Research; NERC National Centre for Earth Observation; US Department of Energy's National Nuclear Security Administration [DE-AC04-94-AL85000]; UT-BATTELLE for DOE [DE-AC05-00OR22725] FX This research was conducted by the Accelerated Climate Modeling for Energy (ACME) project, supported by the Office of Biological and Environmental Research in the DOE Office of Science. C. Safta acknowledges partial support from the Scientific Discovery through Advanced Computing (SciDAC) program funded by US DOE, Office of Science, Advanced Scientific Computing Research. M. Williams was supported by NERC National Centre for Earth Observation. Sandia National Laboratories is amulti-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94-AL85000. Oak Ridge National Laboratory is managed by UT-BATTELLE for DOE under contract DE-AC05-00OR22725. NR 46 TC 0 Z9 0 U1 5 U2 8 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2015 VL 8 IS 7 BP 1899 EP 1918 DI 10.5194/gmd-8-1899-2015 PG 20 WC Geosciences, Multidisciplinary SC Geology GA CO1LQ UT WOS:000358917100001 ER PT J AU Feldman, DR Collins, WD Paige, JL AF Feldman, D. R. Collins, W. D. Paige, J. L. TI Pan-spectral observing system simulation experiments of shortwave reflectance and long-wave radiance for climate model evaluation SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID RADIATIVE-TRANSFER MODEL; INSTRUMENT SIMULATORS; TEMPERATURE TRENDS; INFRARED-SPECTRA; CLOUD FEEDBACK; BUDGET; VARIABILITY; OBJECTIVES; SCATTERING; PRODUCTS AB Top-of-atmosphere (TOA) spectrally resolved shortwave reflectances and long-wave radiances describe the response of the Earth's surface and atmosphere to feedback processes and human-induced forcings. In order to evaluate proposed long-duration spectral measurements, we have projected 21st Century changes from the Community Climate System Model (CCSM3.0) conducted for the Intergovernmental Panel on Climate Change (IPCC) A2 Emissions Scenario onto shortwave reflectance spectra from 300 to 2500 nm and long-wave radiance spectra from 2000 to 200 cm 1 at 8 nm and 1 cm 1 resolution, respectively. The radiative transfer calculations have been rigorously validated against published standards and produce complementary signals describing the climate system forcings and feedbacks. Additional demonstration experiments were performed with the Model for Interdisciplinary Research on Climate (MIROC5) and Hadley Centre Global Environment Model version 2 Earth System (HadGEM2-ES) models for the Representative Concentration Pathway 8.5 (RCP8.5) scenario. The calculations contain readily distinguishable signatures of low clouds, snow/ice, aerosols, temperature gradients, and water vapour distributions. The goal of this effort is to understand both how climate change alters reflected solar and emitted infrared spectra of the Earth and determine whether spectral measurements enhance our detection and attribution of climate change. This effort also presents a path forward to understand the characteristics of hyperspectral observational records needed to confront models and inline instrument simulation. Such simulation will enable a diverse set of comparisons between model results from coupled model intercomparisons and existing and proposed satellite instrument measurement systems. C1 [Feldman, D. R.; Collins, W. D.; Paige, J. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Collins, W. D.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Feldman, DR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM drfeldman@lbl.gov RI Richards, Amber/K-8203-2015; Collins, William/J-3147-2014; Feldman, Daniel/N-8703-2013 OI Collins, William/0000-0002-4463-9848; Feldman, Daniel/0000-0003-3365-5233 FU NASA [NNX10AK27G, NNX11AE65G]; NASA High-End Computing [SMD-08-0999, SMD-09-1397, SMD-10-1799]; Contractor Supporting Research (CSR) from Berkeley Lab; U.S. Department of Energy [DE-AC02-05CH11231] FX Funding for this research was supported by NASA grants NNX10AK27G, and NNX11AE65G and NASA High-End Computing grants SMD-08-0999, SMD-09-1397, and SMD-10-1799. This work was also supported by Contractor Supporting Research (CSR) funding from Berkeley Lab, provided by the Director, Office of Science, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. The following individuals also contributed: David Young, Bruce Wielicki, and Rosemary Baize of the NASA Langley Research Center, Tsengdar Lee of the NASA Science Mission Directorate, Lex Berk of Spectral Sciences, Inc., and four anonymous reviewers. NR 55 TC 0 Z9 0 U1 1 U2 5 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2015 VL 8 IS 7 BP 1943 EP 1954 DI 10.5194/gmd-8-1943-2015 PG 12 WC Geosciences, Multidisciplinary SC Geology GA CO1LQ UT WOS:000358917100003 ER PT J AU Collins, WD Craig, AP Truesdale, JE Di Vittorio, AV Jones, AD Bond-Lamberty, B Calvin, KV Edmonds, JA Kim, SH Thomson, AM Patel, P Zhou, Y Mao, J Shi, X Thornton, PE Chini, LP Hurtt, GC AF Collins, W. D. Craig, A. P. Truesdale, J. E. Di Vittorio, A. V. Jones, A. D. Bond-Lamberty, B. Calvin, K. V. Edmonds, J. A. Kim, S. H. Thomson, A. M. Patel, P. Zhou, Y. Mao, J. Shi, X. Thornton, P. E. Chini, L. P. Hurtt, G. C. TI The integrated Earth system model version 1: formulation and functionality SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID LAND-COVER CHANGE; ANTHROPOGENIC CLIMATE-CHANGE; WOOD-HARVEST; SECONDARY LANDS; USE TRANSITIONS; GLOBAL CLIMATE; CHANGE IMPACTS; WIND-SPEED; ENERGY USE; FRAMEWORK AB The integrated Earth system model (iESM) has been developed as a new tool for projecting the joint human/climate system. The iESM is based upon coupling an integrated assessment model (IAM) and an Earth system model (ESM) into a common modeling infrastructure. IAMs are the primary tool for describing the human-Earth system, including the sources of global greenhouse gases (GHGs) and short-lived species (SLS), land use and land cover change (LULCC), and other resource-related drivers of anthropogenic climate change. ESMs are the primary scientific tools for examining the physical, chemical, and biogeochemical impacts of human-induced changes to the climate system. The iESM project integrates the economic and human-dimension modeling of an IAM and a fully coupled ESM within a single simulation system while maintaining the separability of each model if needed. Both IAM and ESM codes are developed and used by large communities and have been extensively applied in recent national and international climate assessments. By introducing heretofore-omitted feed-backs between natural and societal drivers, we can improve scientific understanding of the human-Earth system dynamics. Potential applications include studies of the interactions and feedbacks leading to the timing, scale, and geographic distribution of emissions trajectories and other human influences, corresponding climate effects, and the subsequent impacts of a changing climate on human and natural systems. This paper describes the formulation, requirements, implementation, testing, and resulting functionality of the first version of the iESM released to the global climate community. C1 [Collins, W. D.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Collins, W. D.; Craig, A. P.; Truesdale, J. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bond-Lamberty, B.; Calvin, K. V.; Edmonds, J. A.; Kim, S. H.; Thomson, A. M.; Patel, P.; Zhou, Y.] Joint Global Change Res Inst, College Pk, MD USA. [Mao, J.; Shi, X.; Thornton, P. E.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Chini, L. P.; Hurtt, G. C.] Univ Maryland, College Pk, MD 20742 USA. RP Collins, WD (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. EM wdcollins@lbl.gov RI Bond-Lamberty, Ben/C-6058-2008; Thornton, Peter/B-9145-2012; Jones, Andrew/M-4363-2013; Di Vittorio, Alan/M-5325-2013; Collins, William/J-3147-2014; Mao, Jiafu/B-9689-2012 OI Bond-Lamberty, Ben/0000-0001-9525-4633; Thornton, Peter/0000-0002-4759-5158; Jones, Andrew/0000-0002-1913-7870; Di Vittorio, Alan/0000-0002-8139-4640; Collins, William/0000-0002-4463-9848; Mao, Jiafu/0000-0002-2050-7373 FU US Department of Energy [DE-AC02-05CH11231, DE-AC05-76RL01830]; National Science Foundation; Integrated Assessment Research Program in the Office of Science of the US Department of Energy (DOE SC-IARP); Office of Biological and Environmental Research of the US Department of Energy; UT-BATTELLE for the DOE [DE-AC05-00OR22725] FX This research was supported in part by the Director, Office of Science, Office of Biological and Environmental Research of the US Department of Energy under contract no. DE-AC02-05CH11231 to the Lawrence Berkeley National Laboratory as part of their Earth system modeling program. The authors used resources of the National Energy Research Scientific Computing Center (NERSC), also supported by the Office of Science of the US Department of Energy, under contract no. DE-AC02-05CH11231. The CESM project is supported by the National Science Foundation and the Office of Science (BER) of the US Department of Energy. Computing resources were provided by the Climate Simulation Laboratory at NCAR's Computational and Information Systems Laboratory (CISL), sponsored by the National Science Foundation and other agencies. NCAR is sponsored by the National Science Foundation. The authors are also grateful for research support provided by the Integrated Assessment Research Program in the Office of Science of the US Department of Energy (DOE SC-IARP). This research used Evergreen computing resources at the Pacific Northwest National Laboratory's Joint Global Change Research Institute at the University of Maryland in College Park, which is supported by DOE SC-IARP. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy under contract DE-AC05-76RL01830. The research was supported in part by support from the Office of Biological and Environmental Research of the US Department of Energy extended to the Oak Ridge National Laboratory. Oak Ridge National Laboratory is managed by UT-BATTELLE for the DOE under Contract DE-AC05-00OR22725. This research also used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the US Department of Energy under contract no. DE-AC05-00OR22725. The views and opinions expressed in this paper are those of the authors alone. NR 66 TC 3 Z9 4 U1 1 U2 12 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2015 VL 8 IS 7 BP 2203 EP 2219 DI 10.5194/gmd-8-2203-2015 PG 17 WC Geosciences, Multidisciplinary SC Geology GA CO1LQ UT WOS:000358917100017 ER PT J AU Rae, JGL Hewitt, HT Keen, AB Ridley, JK West, AE Harris, CM Hunke, EC Walters, DN AF Rae, J. G. L. Hewitt, H. T. Keen, A. B. Ridley, J. K. West, A. E. Harris, C. M. Hunke, E. C. Walters, D. N. TI Development of the Global Sea Ice 6.0 CICE configuration for the Met Office Global Coupled model SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID THICKNESS DISTRIBUTION; CLIMATE MODEL; OCEAN; HADGEM3; SYSTEM; ENERGY AB The new sea ice configuration GSI6.0, used in the Met Office global coupled configuration GC2.0, is described and the sea ice extent, thickness and volume are compared with the previous configuration and with observationally based data sets. In the Arctic, the sea ice is thicker in all seasons than in the previous configuration, and there is now better agreement of the modelled concentration and extent with the HadISST data set. In the Antarctic, a warm bias in the ocean model has been exacerbated at the higher resolution of GC2.0, leading to a large reduction in ice extent and volume; further work is required to rectify this in future configurations. C1 [Rae, J. G. L.; Hewitt, H. T.; Keen, A. B.; Ridley, J. K.; West, A. E.; Harris, C. M.; Walters, D. N.] Met Off Hadley Ctr, Exeter EX1 3PB, Devon, England. [Hunke, E. C.] Los Alamos Natl Lab, MS B216, Los Alamos, NM 87545 USA. RP Rae, JGL (reprint author), Met Off Hadley Ctr, FitzRoy Rd, Exeter EX1 3PB, Devon, England. EM jamie.rae@metoffice.gov.uk OI Hewitt, Helene/0000-0001-7432-6001 FU Joint DECC/Defra Met Office Hadley Centre Climate Programme [GA01101] FX We are grateful to Alison McLaren and Ed Blockley for useful comments on earlier drafts of the manuscript. This work was supported by the Joint DECC/Defra Met Office Hadley Centre Climate Programme (GA01101). We are grateful to the reviewers for their useful comments, which led to substantial improvements in this manuscript. NR 35 TC 3 Z9 3 U1 3 U2 9 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2015 VL 8 IS 7 BP 2221 EP 2230 DI 10.5194/gmd-8-2221-2015 PG 10 WC Geosciences, Multidisciplinary SC Geology GA CO1LQ UT WOS:000358917100018 ER PT J AU Mukarakate, C McBrayer, JD Evans, TJ Budhi, S Robichaud, DJ Iisa, K ten Dam, J Watson, MJ Baldwin, RM Nimlos, MR AF Mukarakate, Calvin McBrayer, Josefine D. Evans, Tabitha J. Budhi, Sridhar Robichaud, David J. Iisa, Kristiina ten Dam, Jeroen Watson, Michael J. Baldwin, Robert M. Nimlos, Mark R. TI Catalytic fast pyrolysis of biomass: the reactions of water and aromatic intermediates produces phenols SO GREEN CHEMISTRY LA English DT Article ID HZSM-5 ZEOLITE CATALYST; FLUIDIZED-BED REACTOR; CRUDE BIO-OIL; MOLECULAR CHARACTERIZATION; DIRECT HYDROXYLATION; REACTION-MECHANISMS; STEAM PYROLYSIS; CANOLA OIL; CONVERSION; HYDROCARBONS AB During catalytic upgrading over HZSM-5 of vapors from fast pyrolysis of biomass (ex situ CFP), water reacts with aromatic intermediates to form phenols that are then desorbed from the catalyst micropores and produced as products. We observe this reaction using real time measurement of products from neat CFP and with added steam. The reaction is confirmed when O-18-labeled water is used as the steam source and the labeled oxygen is identified in the phenol products. Furthermore, phenols are observed when cellulose pyrolysis vapors are reacted over the HZSM-5 catalyst in steam. This suggests that the phenols do not only arise from phenolic products formed during the pyrolysis of the lignin component of biomass; phenols are also formed by reaction of water molecules with aromatic intermediates formed during the transformation of all of the pyrolysis products. Water formation during biomass pyrolysis is involved in this reaction and leads to the common observation of phenols in products from neat CFP. Steam also reduces the formation of non-reactive carbon in the zeolite catalysts and decreases the rate of deactivation and the amount of measured "coke" on the catalyst. These CFP results were obtained in a flow microreactor coupled to a molecular beam mass spectrometer (MBMS), which allowed for real-time measurement of products and facilitated determination of the impact of steam during catalytic upgrading, complemented by a tandem micropyrolyzer connected to a GCMS for identification of the products. C1 [Mukarakate, Calvin; Evans, Tabitha J.; Budhi, Sridhar; Robichaud, David J.; Iisa, Kristiina; Baldwin, Robert M.; Nimlos, Mark R.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [McBrayer, Josefine D.] Univ New Mexico, Dept Chem & Biol Engn, Albuquerque, NM 87131 USA. [ten Dam, Jeroen; Watson, Michael J.] Johnson Matthey Technol Ctr, Billingham TS23 1LB, Cleveland, England. [Budhi, Sridhar] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. RP Mukarakate, C (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM calvin.mukarakate@nrel.gov RI Budhi, Sridhar/B-2157-2017 OI Budhi, Sridhar/0000-0003-2514-5161 FU U.S. Department of Energy's Bioenergy Technologies Office (DOE-BETO) [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX This work was supported by the U.S. Department of Energy's Bioenergy Technologies Office (DOE-BETO) Contract no. DE-AC36-08GO28308 with the National Renewable Energy Laboratory and Johnson Matthey. JDM would like to thank DOE, Office of Science's Science Undergraduate Laboratory Internship program. The authors would like to thank Rui Katahira, Matthew Yung, Robert Evans and Kellene McKinney for stimulating discussions. NR 73 TC 10 Z9 10 U1 5 U2 37 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PY 2015 VL 17 IS 8 BP 4217 EP 4227 DI 10.1039/c5gc00805k PG 11 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA CO1BG UT WOS:000358887300015 ER PT J AU Sproles, EA Leibowitz, SG Reager, JT Wigington, PJ Famiglietti, JS Patil, SD AF Sproles, E. A. Leibowitz, S. G. Reager, J. T. Wigington, P. J., Jr. Famiglietti, J. S. Patil, S. D. TI GRACE storage-runoff hystereses reveal the dynamics of regional watersheds SO HYDROLOGY AND EARTH SYSTEM SCIENCES LA English DT Article ID WESTERN UNITED-STATES; DATA ASSIMILATION SYSTEM; CLIMATE-CHANGE; GROUNDWATER DEPLETION; OREGON CASCADES; SOIL-MOISTURE; RIVER-BASIN; MOUNTAIN HYDROLOGY; SNOWPACK; MODEL AB We characterize how regional watersheds function as simple, dynamic systems through a series of hysteresis loops using measurements from NASA's Gravity Recovery and Climate Experiment (GRACE) satellites. These loops illustrate the temporal relationship between runoff and terrestrial water storage in three regional-scale watersheds (> 150 000 km(2)) of the Columbia River Basin, USA and Canada. The shape and size of the hysteresis loops are controlled by the climate, topography, and geology of the watershed. The direction of the hystereses for the GRACE signals moves in opposite directions from the isolated groundwater hystereses. The subsurface water (soil moisture and groundwater) hystereses more closely resemble the storage-runoff relationship of a soil matrix. While the physical processes underlying these hystereses are inherently complex, the vertical integration of terrestrial water in the GRACE signal encapsulates the processes that govern the non-linear function of regional-scale watersheds. We use this process-based understanding to test how GRACE data can be applied prognostically to predict seasonal runoff (mean Nash-Sutcliffe Efficiency of 0.91) and monthly runoff during the low flow/high demand month of August (mean Nash-Sutcliffe Efficiency of 0.77) in all three watersheds. The global nature of GRACE data allows this same methodology to be applied in other regional-scale studies, and could be particularly useful in regions with minimal data and in trans-boundary watersheds. C1 [Sproles, E. A.] US EPA, Natl Hlth & Environm Effects Res Lab, Oak Ridge Inst Sci & Technol, Corvallis, OR 97333 USA. [Sproles, E. A.] Oregon State Univ, Coll Earth Ocean & Atmospher Sci, Corvallis, OR 97331 USA. [Leibowitz, S. G.; Wigington, P. J., Jr.] US EPA, Natl Hlth & Environm Effects Res Lab, Corvallis, OR 97333 USA. [Reager, J. T.; Famiglietti, J. S.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Patil, S. D.] Bangor Univ, Sch Environm Nat Resources & Geog, Bangor LL57 2UW, Gwynedd, Wales. [Sproles, E. A.] Univ La Serena, Ctr Estudios Avanzados Zonas Aridas, La Serena 1305, Chile. RP Sproles, EA (reprint author), US EPA, Natl Hlth & Environm Effects Res Lab, Oak Ridge Inst Sci & Technol, 200 SW 35th St, Corvallis, OR 97333 USA. EM eric.sproles@gmail.com RI Patil, Sopan/E-8497-2011; OI Patil, Sopan/0000-0002-8575-5220; Sproles, Eric/0000-0003-1245-1653 FU NASA MEaSUREs Program; US Environmental Protection Agency FX The authors would like to thank Matthew Rodell and Felix Landerer for their expertise in understanding GRACE data during the initial stages of the research. GRACE terrestrial data were processed by Sean Swenson, supported by the NASA MEaSUREs Program, and are available at http://grace.jpl.nasa.gov. The GLDAS and NLDAS data used in this study were acquired as part of the mission of NASA's Earth Science Division and archived and distributed by the Goddard Earth Sciences Data and Information Services Center. We would like to thank the reviewers of the manuscript that have helped improve its overall quality. Additionally, Tim Kerr provided objective feedback and comments on the research findings. The information in this document has been funded entirely by the US Environmental Protection Agency, in part by an appointment to the Internship/Research Participation Program at the Office of Research and Development, U.S. Environmental Protection Agency, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and EPA. This manuscript has been subjected to Agency review and has been approved for publication. Mention of trade names or commercial products does not constitute endorsement or recommendation for use. NR 75 TC 3 Z9 3 U1 4 U2 17 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1027-5606 EI 1607-7938 J9 HYDROL EARTH SYST SC JI Hydrol. Earth Syst. Sci. PY 2015 VL 19 IS 7 BP 3253 EP 3272 DI 10.5194/hess-19-3253-2015 PG 20 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA CO1MA UT WOS:000358918200016 ER PT J AU Rivera, JGL Lee, Y Liao, JC AF Rivera, Jimmy G. Lafontaine Lee, Yun Liao, James C. TI An entropy-like index of bifurcational robustness for metabolic systems SO INTEGRATIVE BIOLOGY LA English DT Article ID SACCHAROMYCES-CEREVISIAE; BIOLOGICAL ROBUSTNESS; FRAMEWORK DEVELOPMENT; MATHEMATICAL-THEORY; UNCERTAINTY; GLYCOLYSIS; YEAST; COMMUNICATION; OSCILLATIONS; MODELS AB Natural and synthetic metabolic pathways need to retain stability when faced against random changes in gene expression levels and kinetic parameters. In the presence of large parameter changes, a robust system should specifically avoid moving to an unstable region, an event that would dramatically change system behavior. Here we present an entropy-like index, denoted as S, for quantifying the bifurcational robustness of metabolic systems against loss of stability. We show that S enables the optimization of a metabolic model with respect to both bifurcational robustness and experimental data. We then demonstrate how the coupling of ensemble modeling and S enables us to discriminate alternative designs of a synthetic pathway according to bifurcational robustness. Finally, we show that S enables the identification of a key enzyme contributing to the bifurcational robustness of yeast glycolysis. The different applications of S demonstrated illustrate the versatile role it can play in constructing better metabolic models and designing functional non-native pathways. C1 [Rivera, Jimmy G. Lafontaine; Lee, Yun; Liao, James C.] Univ Calif Los Angeles, Dept Chem & Biomol Engn, Los Angeles, CA 90095 USA. [Liao, James C.] Univ Calif Los Angeles, DOE Inst Genom & Prote, Los Angeles, CA 90095 USA. RP Liao, JC (reprint author), Univ Calif Los Angeles, Dept Chem & Biomol Engn, 5531 Boelter Hall, Los Angeles, CA 90095 USA. EM liaoj@g.ucla.edu FU National Science Foundation [MCB-1139318]; UCLA-DOE Institute for Genomics and Proteomics; Office of Science (BER), U.S. Department of Energy [DE-SC0012384, DE-SC0001060, DE-SC0008744] FX This work was supported by National Science Foundation (MCB-1139318), UCLA-DOE Institute for Genomics and Proteomics, and the Office of Science (BER), U.S. Department of Energy (DE-SC0012384, DE-SC0001060 and DE-SC0008744). NR 33 TC 1 Z9 1 U1 4 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1757-9694 EI 1757-9708 J9 INTEGR BIOL-UK JI Integr. Biol. PY 2015 VL 7 IS 8 BP 895 EP 903 DI 10.1039/c4ib00257a PG 9 WC Cell Biology SC Cell Biology GA CO1LD UT WOS:000358915500006 ER PT S AU Christian, J Ho, C AF Christian, J. Ho, C. BE Wang, Z TI System design of a 1 MW north-facing, solid particle receiver SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE Solid Particle Receiver; high temperature receiver; falling particles AB Falling solid particle receivers (SPR) utilize small particles as a heat collecting medium within a cavity receiver structure. The components required to operate an SPR include the receiver (to heat the particles), bottom hopper (to catch the falling particles), particle lift elevator (to lift particles back to the top of the receiver), top hopper (to store particles before being dropped through the receiver), and ducting. In addition to the required components, there are additional features needed for an experimental system. These features include: a support structure to house all components, calibration panel to measure incident radiation, cooling loops, and sensors (flux gages, thermocouples, pressure gages). Each of these components had to be designed to withstand temperatures ranging from ambient to 700 degrees C. Thermal stresses from thermal expansion become a key factor in these types of high temperature systems. The SPR will be housing similar to 3000 kg of solid particles. The final system will be tested at the National Solar Thermal Test Facility in Albuquerque, NM. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Christian, J.; Ho, C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Christian, J (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jmchris@sandia.gov NR 17 TC 0 Z9 0 U1 2 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 340 EP 349 DI 10.1016/j.egypro.2015.03.038 PG 10 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000037 ER PT S AU Gray, MH Tirawat, R Kessinger, KA Ndione, PF AF Gray, M. H. Tirawat, R. Kessinger, K. A. Ndione, P. F. BE Wang, Z TI High temperature performance of high-efficiency, multi-layer solar selective coatings for tower applications SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE concentrating solar power; solar absorber; solar selective absorber; power tower; receiver coating ID ABSORBERS AB The roadmap to next-generation concentrating solar power plants anticipates a progression to central towers with operating temperatures in excess of 650 C. These higher temperatures are required to drive higher power-cycle efficiencies, resulting in lower cost energy. However, these conditions also place a greater burden on the materials making up the receiver. Any novel absorber material developed for next-generation receivers must be stable in air, cost effective, and survive thousands of heating and cooling cycles. The collection efficiency of a power tower plant can be increased if the energy absorbed by the receiver is maximized while the heat loss from the receiver to the environment is minimized. Thermal radiation losses can be significant (>7% annual energy loss) with receivers at temperatures above 650 degrees C. We present progress toward highly efficient and durable solar selective absorbers (SSAs) intended for operating temperatures from 650 degrees C to 1000 degrees C. Selective efficiency (rim) is defined as the energy retained by the absorber, accounting for both absorptance and emittance, relative to the energy incident on the surface. The low emittance layers of multilayer SSAs are binary compounds of refractory metals whose material properties indicate that coatings formed of these materials should be oxidation resistant in air to 800-1200 degrees C. On this basis, we initially developed a solar selective coating for parabolic troughs. This development has been successfully extended to meet the absorptance and emittance objectives for the more demanding, high temperature regime. We show advancement in coating materials, processing and designs resulting in the initial attainment of target efficiencies rhei > 0.91 for proposed tower conditions. Additionally, spectral measurements show that these coatings continue to perform at targeted levels after cycling to temperatures of 1000 degrees C in environments of nitrogen and forming gas. (C) 2015 The Authors. Published by Else \ ier Ltd. C1 [Gray, M. H.; Tirawat, R.; Kessinger, K. A.; Ndione, P. F.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Gray, MH (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM matthew.gray@nrel.gov NR 10 TC 0 Z9 0 U1 2 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 398 EP 404 DI 10.1016/j.egypro.2015.03.046 PG 7 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000043 ER PT S AU Ho, CK Pacheco, JE AF Ho, C. K. Pacheco, J. E. BE Wang, Z TI Derivation of a Levelized Cost of Coating (LCOC) metric for evaluation of solar selective absorber materials SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE Selective coating; selective absorber; LCOE; receivers AB A new metric, the Levelized Cost of Coating (LCOC), is derived in this paper to evaluate and compare alternative solar selective absorber coatings against a baseline coating (Pyromark 2500). In contrast to previous metrics that focused only on the optical performance of the coating, the LCOC includes costs, durability, and optical performance for more comprehensive comparisons among candidate materials. The LCOC is defined as the annualized marginal cost of the coating to produce a baseline annual thermal energy production. Costs include the cost of materials and labor for initial application and reapplication of the coating, as well as the cost of additional or fewer heliostats to yield the same annual thermal energy production as the baseline coating. Results show that important factors impacting the LCOC include the initial solar absorptance, thermal emittance, reapplication interval, degradation rate, reapplication cost, and downtime during reapplication. The LCOC can also be used to determine the optimal reapplication interval to minimize the levelized cost of energy production. Similar methods can be applied more generally to determine the levelized cost of component for other applications and systems. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Ho, C. K.; Pacheco, J. E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ho, CK (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ckho@sandia.gov NR 8 TC 0 Z9 0 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 415 EP 423 DI 10.1016/j.egypro.2015.03.048 PG 9 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000045 ER PT S AU Andraka, CE Kruizenga, AM Hernandez-Sanchez, BA Coker, EN AF Andraka, C. E. Kruizenga, A. M. Hernandez-Sanchez, B. A. Coker, E. N. BE Wang, Z TI Metallic phase change material thermal storage for dish Stirling SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE CSP; Dish Stirling; Phase change storage; Heat pipe; Concentrating Solar Power ID EUTECTIC ALLOYS AB Dish-Stirling systems provide high-efficiency solar-only electrical generation and currently hold the world record at 31.25%. This high efficiency results in a system with a high possibility of meeting the DOE SunShot goal of S0.06/1(Wh. However, current dish-Stirling systems do not incorporate thermal storage. For the next generation of non-intermittent and cost-competitive solar power plants, we propose adding a thermal energy storage system that combines latent (phase-change) energy transport and latent energy storage in order to match the isothermal input requirements of Stirling engines while also maximizing the exergetic efficiency of the entire system. This paper reports current findings in the area of selection, synthesis and evaluation of a suitable high performance metallic phase change material (PCM) as well as potential interactions with containment alloy materials. The metallic PCM's, while more expensive than salts, have been identified as having substantial performance advantages primarily due to high thermal conductivity, leading to high exergetic efficiency,. Systems modeling has indicated, based on high dish Stirling system performance, an allowable cost of the PCM storage system that is substantially- higher than SunShot goals for storage cost on tower systems. Several PCM's are identified with suitable melting temperature, cost, and performance. (C) 2015 Published by Elsevier Ltd. C1 [Andraka, C. E.] Sandia Natl Labs, CSP Dept, Albuquerque, NM 87185 USA. [Kruizenga, A. M.] Sandia Natl Labs, Livermore, CA 94551 USA. [Hernandez-Sanchez, B. A.; Coker, E. N.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87185 USA. RP Andraka, CE (reprint author), Sandia Natl Labs, CSP Dept, POB 5800,MS 1127, Albuquerque, NM 87185 USA. EM ceandra@sandia.gov NR 12 TC 3 Z9 3 U1 2 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 726 EP 736 DI 10.1016/j.egypro.2015.03.083 PG 11 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000079 ER PT S AU Kim, T Singh, D Singh, M AF Kim, T. Singh, D. Singh, M. BE Wang, Z TI Enhancement of oxidation resistance of graphite foams by polymer derived-silicon carbide coating for concentrated solar power applications SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE graphite foam; latent heat; thermal energy storage; polymer derived coating; silicon carbide; oxidation ID HIGH-CONDUCTIVITY PARTICLES; HEAT-TRANSFER; STORAGE UNIT; FINNED TUBE; CARBON; BEHAVIOR; SOLIDIFICATION; TEMPERATURE; IMPROVEMENT AB Graphite foam with extremely high thermal conductivity has been investigated to enhance heat transfer of latent heat thermal energy storage (LHTES) systems. However, the use of graphite foam for elevated temperature applications (>600 degrees C) due to poor oxidation resistance of graphite. In the present study, oxidation resistance of graphite foam coated with silicon carbide (SiC) was investigated. A pre-ceramic polymer derived coating (PDC) method was used to form a SiC coating on the graphite foams. Post coating deposition, the samples were analyzed by scanning electron microscopy and energy dispersive spectroscopy. The oxidation resistance of PDC-SiC coating was quantified by measuring the weight of the samples at several measuring points. The experiments were conducted under static argon atmosphere in a furnace. After the experiments, oxidation rates (%/hour) were calculated to predict the lifetime of the graphite foams. The experimental results showed that the PDC-SiC coating could prevent the oxidation of graphite foam under static argon atmosphere up to 900 degrees C. (C) 2015 Published by Elsevier Ltd. C1 [Kim, T.; Singh, D.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Singh, M.] Ohio Aerosp Inst, Cleveland, OH 44142 USA. RP Kim, T (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 22 TC 2 Z9 2 U1 1 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 900 EP 906 DI 10.1016/j.egypro.2015.03.170 PG 7 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000096 ER PT S AU Zheng, R Diver, R Caldwell, D Fritz, B Cameron, R Humble, P TeGrotenhuis, W Dagle, R Wegeng, R AF Zheng, R. Diver, R. Caldwell, D. Fritz, B. Cameron, R. Humble, P. TeGrotenhuis, W. Dagle, R. Wegeng, R. BE Wang, Z TI Integrated solar thermochemical reaction system for steam methane reforming SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE Concentrated Solar Power; Steam Reforming; Methane Reforming; Natural Gas; Microchannel Reaction; Process Intensification AB Solar-aided upgrade of the energy content of fossil fuels, such as natural gas, can provide a near-term transition path towards a future solar-fuel economy and reduce carbon dioxide emission from fossil fuel consumption. Both steam and dry reforming a methane-containing fuel stream have been studied with concentrated solar power as the energy input to drive the highly endothermic reactions but the concept has not been demonstrated at a commercial scale. Under a current project with the U.S. Department of Energy, PNNL is developing an integrated solar thermochemical reaction system that combines solar concentrators with micro-and meso-channel reactors and heat exchangers to accomplish more than 20% solar augment of methane higher heating value. The objective of our three-year project is to develop and prepare for commercialization such solar reforming system with a high enough efficiency to serve as the frontend of a conventional natural gas (or biogas) combined cycle power plant, producing power with a levelized cost of electricity less than 6(sic)/kWh, without subsidies, by the year 2020. In this paper, we present results from the first year of our project that demonstrated a solar-to-chemical energy conversion efficiency as high as 69% with a prototype reaction system. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Zheng, R.; Caldwell, D.; Fritz, B.; Cameron, R.; Humble, P.; TeGrotenhuis, W.; Dagle, R.; Wegeng, R.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Diver, R.] Diver Solar LLC, Albuquerque, NM 87123 USA. RP Wegeng, R (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM robert.wegeng@pnnl.gov RI Humble, Paul/E-4766-2015; Zheng, Feng/C-7678-2009; Humble, Paul/K-1961-2012 OI Zheng, Feng/0000-0002-5427-1303; Humble, Paul/0000-0002-2632-6557 NR 6 TC 1 Z9 2 U1 1 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 1192 EP 1200 DI 10.1016/j.egypro.2015.03.204 PG 9 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000126 ER PT S AU Ho, CK Sims, CA Christian, JM AF Ho, C. K. Sims, C. A. Christian, J. M. BE Wang, Z TI Evaluation of glare at the Ivanpah Solar Electric Generating System SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE Concentrating solar power; glare; glint; heliostats; standby; Ivanpah solar AB The Ivanpah Solar Electric Generating System (ISEGS), located on I-15 about 40 miles (60 km) south of Las Vegas, NV, consists of three power towers 459 ft (140 m) tall and over 170,000 reflective heliostats with a rated capacity of 390 MW. Reports of glare from the plant have been submitted by pilots and air traffic controllers and recorded by the Aviation Safety Reporting System and the California Energy Commission since 2013. Aerial and ground-based surveys of the glare were conducted in April, 2014, to identify the cause and to quantify the irradiance and potential ocular impacts of the glare. Results showed that the intense glare viewed from the airspace above ISEGS was caused by heliostats in standby mode that were aimed to the side of the receiver. Evaluation of the glare showed that the retinal irradiance and subtended source angle of the glare from the heliostats in standby were sufficient to cause significant ocular impact (potential for after-image) up to a distance of similar to 6 miles (10 km), but the values were below the threshold for permanent eye damage. Glare from the receivers had a low potential for after-image at all ground-based monitoring locations outside of the site boundaries. A Letter to Airmen has been issued by the Federal Aviation Administration to notify pilots of the potential glare hazards. Additional measures to mitigate the potential impacts of glare from ISGES are also presented and discussed. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Ho, C. K.; Christian, J. M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Sims, C. A.] Sims Ind LLC, Dayton, OH 45459 USA. RP Ho, CK (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ckho@sandia.gov NR 9 TC 0 Z9 0 U1 2 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 1296 EP 1305 DI 10.1016/j.egypro.2015.03.150 PG 10 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000137 ER PT S AU Ma, Z Mehos, M Glatzmaier, G Sakadjian, BB AF Ma, Z. Mehos, M. Glatzmaier, G. Sakadjian, B. B. BE Wang, Z TI Development of a concentrating solar power system using fluidized-bed technology for thermal energy conversion and solid particles for thermal energy storage SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE Concentrating Solar Power; Solar Receiver; Heat Transfer Fluid; Gas/Solid Two-Phase Flow AB Concentrating solar power (CSP) is an effective way to convert solar energy into electricity with an economic energy-storage capability for grid-scale, dispatchable renewable power generation. However, CSP plants need to reduce costs to be competitive with other power generation methods. Two ways to reduce CSP cost are to increase solar-to-electric efficiency by supporting a high-efficiency power conversion system, and to use low-cost materials in the system. The current nitrate-based molten-salt systems have limited potential for cost reduction and improved power-conversion efficiency with high operating temperatures. Even with significant improvements in operating performance, these systems face challenges in satisfying the cost and performance targets. This paper introduces a novel CSP system with high-temperature capability that can be integrated into a high-efficiency CSP plant and that meets the low-cost, high-performance CSP targets. Unlike a conventional salt-based CSP plant, this design uses gas/solid, two-phase flow as the heat-transfer fluid (HTF); separated solid particles as storage media; and stable, inexpensive materials for the high-temperature receiver and energy storage containment. We highlight the economic and performance benefits of this innovative CSP system design, which has thermal energy storage capability for base-load power generation. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Ma, Z.; Mehos, M.; Glatzmaier, G.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Sakadjian, B. B.] Babcock & Wilcox Power Generat Grp Inc, Barberton, OH 44203 USA. RP Ma, Z (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM zhiwen.ma@nrel.gov NR 11 TC 3 Z9 3 U1 2 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 1349 EP 1359 DI 10.1016/j.egypro.2015.03.136 PG 11 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000143 ER PT S AU Sakadjian, B Hu, S Maryamchik, M Flynn, T Santelmann, K Ma, Z AF Sakadjian, B. Hu, S. Maryamchik, M. Flynn, T. Santelmann, K. Ma, Z. BE Wang, Z TI Fluidized-bed technology enabling the integration of high temperature solar receiver CSP systems with steam and advanced power cycles SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE Concentrating solar power; solar particle receiver; fluidized bed; heat exchanger; solid particles; high temperature; high efficiency; renewable energy AB Solar Particle Receivers (SPR) are under development to drive concentrating solar plants (CSP) towards higher operating temperatures to support higher efficiency power conversion cycles. The novel high temperature SPR-based CSP system uses solid particles as the heat transfer medium (HTM) in place of the more conventional fluids such as molten salt or steam used in current state-of-the-art CSP plants. The solar particle receiver (SPR) is designed to heat the HTM to temperatures of 800 degrees C or higher which is well above the operating temperatures of nitrate-based molten salt thermal energy storage (TES) systems. The solid particles also help overcome some of the other challenges associated with molten salt-based systems such as freezing, instability and degradation. The higher operating temperatures and use of low cost HTM and higher efficiency power cycles are geared towards reducing costs associated with CSP systems. This paper describes the SPR-based CSP system with a focus on the fluidized-bed (FB) heat exchanger and its integration with various power cycles. The SPR technology provides a potential pathway to achieving the levelized cost of electricity (LCOE) target of $0.06/kWh that has been set by the U.S. Department of Energy's SunShot initiative. (C) 2015 Published by Elsevier Ltd. C1 [Sakadjian, B.; Hu, S.; Maryamchik, M.; Flynn, T.; Santelmann, K.] Babcock & Wilcox Power Generat Grp Inc B&W PGG, Barberton, OH 44203 USA. [Ma, Z.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Sakadjian, B (reprint author), Babcock & Wilcox Power Generat Grp Inc B&W PGG, 180 S Van Buren Ave, Barberton, OH 44203 USA. EM bbsakadjian@babcock.com NR 9 TC 3 Z9 3 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 1404 EP 1411 DI 10.1016/j.egypro.2015.03.126 PG 8 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000148 ER PT S AU Ermanoski, I AF Ermanoski, I. BE Wang, Z TI Maximizing efficiency in two-step solar-thermochemical fuel production SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE Hydrogen; thermochemical; solar fuels; carbon dioxide ID THERMODYNAMIC PROPERTIES; NONSTOICHIOMETRIC CERIA; HYDROGEN-PRODUCTION; WATER; ENERGY; OXIDE; HEAT; SYSTEM; CYCLE; CO2 AB Widespread solar fuel production depends on its economic viability, largely driven by the solar-to-fuel conversion efficiency. Herein, the material and energy requirements in two-step solar-thermochemical cycles are considered. The need for advanced redox active materials is demonstrated, by considering the oxide mass flow requirements at a large scale. Two approaches are also identified for maximizing the efficiency: optimizing reaction temperatures, and minimizing the pressure in the thermal reduction step by staged thermal reduction. The results show that each approach individually, and especially the two in conjunction, result in significant efficiency gains. (C) 2015 Published by Elsevier Ltd. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ermanoski, I (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM iermano@sandia.gov NR 35 TC 3 Z9 3 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 1731 EP 1740 DI 10.1016/j.egypro.2015.03.141 PG 10 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000183 ER PT S AU Mehos, M Jorgenson, J Denholm, P Turchi, C AF Mehos, M. Jorgenson, J. Denholm, P. Turchi, C. BE Wang, Z TI An assessment of the net value of CSP systems integrated with thermal energy storage SO INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS, SOLARPACES 2014 SE Energy Procedia LA English DT Proceedings Paper CT International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY SEP 16-19, 2014 CL Beijing, PEOPLES R CHINA DE concentrating solar power; power tower; thermal energy storage; grid integration AB Within this study, we evaluate the operational and capacity value-or total system value-for multiple concentrating solar power (CSP) plant configurations under an assumed 33% renewable penetration scenario in California. We calculate the first-year bid price for two CSP plants, including a 2013 molten-salt tower integrated with a conventional Rankine cycle and a hypothetical 2020 molten-salt tower system integrated with an advanced supercritical carbon-dioxide power block. The overall benefit to the regional grid, defined in this study as the net value, is calculated by subtracting the first-year bid price from the total system value. Results of this study indicate a positive net value for a variety of scenarios, depending on technology assumptions and assumed values for natural gas price and tax incentives. We provide results for the 2013 and 2020 CSP configurations as a function of thermal energy storage capacity and solar field size. We provide a sensitivity of these results to natural gas price, which influence the operation value and thus the total system value. We also investigate the sensitivity of the net value to current and anticipated tax incentives. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Mehos, M.; Jorgenson, J.; Denholm, P.; Turchi, C.] NREL, Golden, CO 80401 USA. RP Mehos, M (reprint author), NREL, 15013 Denver West Ave, Golden, CO 80401 USA. EM mark.mehos@nrel.gov NR 20 TC 1 Z9 1 U1 2 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1876-6102 J9 ENRGY PROCED PY 2015 VL 69 BP 2060 EP 2071 DI 10.1016/j.egypro.2015.03.219 PG 12 WC Energy & Fuels SC Energy & Fuels GA BD2GX UT WOS:000358735000217 ER PT J AU Hanson, JC Barwick, SW Berg, EC Besson, DZ Duffin, TJ Klein, SR Kleinfelder, SA Reed, C Roumi, M Stezelberger, T Tatar, J Walker, JA Zou, L AF Hanson, Jordan C. Barwick, Steven W. Berg, Eric C. Besson, Dave Z. Duffin, Thorin J. Klein, Spencer R. Kleinfelder, Stuart A. Reed, Corey Roumi, Mahshid Stezelberger, Thorsten Tatar, Joulien Walker, James A. Zou, Liang TI Radar absorption, basal reflection, thickness and polarization measurements from the Ross Ice Shelf, Antarctica SO JOURNAL OF GLACIOLOGY LA English DT Article DE ice/ocean interactions ID DETECTOR; ARIANNA; ATTENUATION; NEUTRINOS; SHEET; FLOW; BED AB Radio-glaciological parameters from the Moore's Bay region of the Ross Ice Shelf, Antarctica, have been measured. The thickness of the ice shelf in Moore's Bay was measured from reflection times of radio-frequency pulses propagating vertically through the shelf and reflecting from the ocean, and is found to be 576 +/- 8 m. Introducing a baseline of 543 7 m between radio transmitter and receiver allowed the computation of the basal reflection coefficient, R, separately from englacial loss. The depth-averaged attenuation length of the ice column, < L > is shown to depend linearly on frequency. The best fit (95% confidence level) is < L(nu)> = (460 +/- 20) - (180 +/- 40)nu m (20 dB km(-1)), for the frequencies nu = [0.100-0.850] GHz, assuming no reflection loss. The mean electric-field reflection coefficient is root R = 0.82 +/- 0.07 (1.7 dB reflection loss) across [0.100-0.850] GHz, and is used to correct the attenuation length. Finally, the reflected power rotated into the orthogonal antenna polarization is <5% below 0.400 GHz, compatible with air propagation. The results imply that Moore's Bay serves as an appropriate medium for the ARIANNA high-energy neutrino detector. C1 [Hanson, Jordan C.; Barwick, Steven W.; Berg, Eric C.; Duffin, Thorin J.; Reed, Corey; Roumi, Mahshid; Tatar, Joulien; Walker, James A.; Zou, Liang] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Hanson, Jordan C.; Besson, Dave Z.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Besson, Dave Z.] Moscow Phys & Engn Inst, Moscow, Russia. [Klein, Spencer R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kleinfelder, Stuart A.] Univ Calif Irvine, Dept Elect Engn & Comp Sci, Irvine, CA USA. RP Hanson, JC (reprint author), Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. EM 918particle@gmail.com FU Office of Polar Programs and Physics Division of the US National Science Foundation [ANT-08339133, NSF-0970175, NSF-1126672]; US Department of Energy [DE-AC-76SF-00098] FX We thank the staff of Antarctic Support Contractors, Lockheed, Raytheon Polar Services, and the entire crew at McMurdo station for excellent logistical support. This work was supported by generous funding from the Office of Polar Programs and Physics Division of the US National Science Foundation, grant awards ANT-08339133, NSF-0970175 and NSF-1126672. In 2010, additional funding was provided through the US Department of Energy under contract DE-AC-76SF-00098. Finally, we thank David Saltzberg for comments and suggestions throughout the expeditions and analysis. NR 33 TC 3 Z9 3 U1 0 U2 0 PU INT GLACIOL SOC PI CAMBRIDGE PA LENSFIELD RD, CAMBRIDGE CB2 1ER, ENGLAND SN 0022-1430 EI 1727-5652 J9 J GLACIOL JI J. Glaciol. PY 2015 VL 61 IS 227 BP 438 EP 446 DI 10.3189/2015JoG14J214 PG 9 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA CO2HS UT WOS:000358977400003 ER PT J AU Kennedy, JH Pettit, EC AF Kennedy, Joseph H. Pettit, Erin C. TI The response of fabric variations to simple shear and migration recrystallization SO JOURNAL OF GLACIOLOGY LA English DT Article DE anisotropic ice; climate change; ice crystal studies; ice rheology; recrystallization ID POLAR ICE SHEETS; C-AXIS FABRICS; DYNAMIC RECRYSTALLIZATION; SIPLE-DOME; POLYCRYSTALLINE ICE; TEXTURE DEVELOPMENT; DEPTH-HOAR; FLOW-LAW; ANTARCTICA; MICROSTRUCTURE AB The observable microstructures in ice are the result of many dynamic and competing processes. These processes are influenced by climate variables in the firn. Layers deposited in different climate regimes may show variations in fabric which can persist deep into the ice sheet; fabric may 'remember' these past climate regimes. We model the evolution of fabric variations below the firn-ice transition and show that the addition of shear to compressive-stress regimes preserves the modeled fabric variations longer than compression-only regimes, because shear drives a positive feedback between crystal rotation and deformation. Even without shear, the modeled ice retains memory of the fabric variation for similar to 200 ka in typical polar ice-sheet conditions. Our model shows that temperature affects how long the fabric variation is preserved, but only affects the strain-integrated fabric evolution profile when comparing results straddling the thermal-activation-energy threshold (similar to-10 degrees C). Even at high temperatures, migration recrystallization does not eliminate the modeled fabric's memory under most conditions. High levels of nearest-neighbor interactions will, however, eliminate the modeled fabric's memory more quickly than low levels of nearest-neighbor interactions. Ultimately, our model predicts that fabrics will retain memory of past climatic variations when subject to a wide variety of conditions found in polar ice sheets. C1 [Kennedy, Joseph H.] Oak Ridge Natl Lab, Computat Earth Sci Grp, Oak Ridge, TN 37831 USA. [Kennedy, Joseph H.] Univ Alaska Fairbanks, Dept Phys, Fairbanks, AK USA. [Pettit, Erin C.] Univ Alaska Fairbanks, Dept Geosci, Fairbanks, AK USA. RP Kennedy, JH (reprint author), Oak Ridge Natl Lab, Computat Earth Sci Grp, Oak Ridge, TN 37831 USA. EM kennedyjh@ornl.gov OI Kenedy, Joseph/0000-0002-9348-693X FU US National Science Foundation (NSF) [OPP#0948247, OPP#0940650, OPP#0636795] FX We thank the Scientific Editor Sergio H. Faria, Paul Duval and an anonymous reviewer for detailed comments that considerably improved the manuscript. We also thank Martin Truffer, Ed Bueler and Christina Carr for help throughout the preparation of this manuscript. The work presented here was supported by US National Science Foundation (NSF) grants OPP#0948247, OPP#0940650 and OPP#0636795. NR 55 TC 0 Z9 0 U1 2 U2 6 PU INT GLACIOL SOC PI CAMBRIDGE PA LENSFIELD RD, CAMBRIDGE CB2 1ER, ENGLAND SN 0022-1430 EI 1727-5652 J9 J GLACIOL JI J. Glaciol. PY 2015 VL 61 IS 227 BP 537 EP 550 DI 10.3189/2015JoG14J156 PG 14 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA CO2HS UT WOS:000358977400011 ER PT J AU Provino, A Steinberg, S Smetana, V Kulkarni, R Dhar, SK Manfrinetti, P Mudring, AV AF Provino, Alessia Steinberg, Simon Smetana, Volodymyr Kulkarni, Ruta Dhar, Sudesh K. Manfrinetti, Pietro Mudring, Anja-Verena TI Gold-rich R3Au7Sn3: establishing the interdependence between electronic features and physical properties SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID AU-GA SYSTEM; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; CRYSTAL-STRUCTURE; RARE-EARTH; ZR3AL2-TYPE STRUCTURE; INTERMETALLIC PHASES; QUASI-CRYSTAL; DIAMOND; FAMILY AB Two new polar intermetallic compounds Y3Au7Sn3 (I) and Gd3Au7Sn3 (II) have been synthesized and their structures have been determined by single crystal X-ray diffraction (P6(3)/m; Z = 2, a = 8.148(1)/8.185(3), and c = 9.394(2)/9.415(3) for I/II, respectively). They can formally be assigned to the Cu10Sn3 type and consist of parallel slabs of Sn centered, edge-sharing trigonal Au-6 antiprisms connected through R-3 (R = Y, Gd) triangles. Additional Au atoms reside in the centres of trigonal Au-6 prisms forming Au@Au-6 clusters with Au-Au distances of 2.906-2.960 angstrom, while the R-R contacts in the R-3 groups are considerably larger than the sums of their metallic radii. These exclusive structural arrangements provide alluring systems to study the synergism between strongly correlated systems, particularly, those in the structure of (II), and extensive polar intermetallic contacts, which has been inspected by measurements of the magnetic properties, heat capacities and electrical conductivities of both compounds. Gd3Au7Sn3 shows an antiferromagnetic ordering at 13 K, while Y3Au7Sn3 is a Pauli paramagnet and a downward curvature in its electrical resistivity at about 1.9 K points to a superconducting transition. DFT-based band structure calculations on R3Au7Sn3 (R = Y, Gd) account for the results of the conductivity measurements and different spin ordering models of (II) provide conclusive hints about its magnetic structure. Chemical bonding analyses of both compounds indicate that the vast majority of bonding originates from the heteroatomic Au-Gd and Au-Sn interactions, while homoatomic Au-Au bonding is evident within the Au@Au-6 clusters. C1 [Provino, Alessia; Steinberg, Simon; Smetana, Volodymyr; Manfrinetti, Pietro; Mudring, Anja-Verena] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. [Provino, Alessia; Manfrinetti, Pietro] Univ Genoa, Dept Chem, I-16146 Genoa, Italy. [Steinberg, Simon; Smetana, Volodymyr; Mudring, Anja-Verena] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Kulkarni, Ruta; Dhar, Sudesh K.] Tata Inst Fundamental Res, Dept Condensed Matter Phys & Mat Sci, Bombay 400005, Maharashtra, India. [Provino, Alessia; Manfrinetti, Pietro] CNR, Inst SPIN, I-16152 Genoa, Italy. RP Mudring, AV (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. EM chimfis@chimica.unige.it; mudring@iastate.edu RI Smetana, Volodymyr/C-1340-2015 FU Office of the Basic Energy Sciences, Materials Sciences Division, U. S. Department of Energy (DOE); Critical Materials Institute, an Energy Innovation Hub - U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office; Department of Materials Science and Engineering at Iowa State University; DOE [DE-AC02-07CH11358] FX This work was supported by the Office of the Basic Energy Sciences, Materials Sciences Division, U. S. Department of Energy (DOE) and by the Critical Materials Institute, an Energy Innovation Hub funded by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office as well as the Department of Materials Science and Engineering at Iowa State University. The Ames Laboratory is operated for DOE by Iowa State University under contract No. DE-AC02-07CH11358. The authors would like to thank Prof. Maria Luisa Fornasini and Prof. Karl A. Gschneidner Jr for their helpful comments. NR 68 TC 3 Z9 3 U1 0 U2 9 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 2015 VL 3 IS 32 BP 8311 EP 8321 DI 10.1039/c5tc00884k PG 11 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CO6KE UT WOS:000359264800005 ER PT J AU Olynick, DL Perera, P Schwartzberg, A Kulshreshta, P De Oteyza, DG Jarnagin, N Henderson, C Sun, ZW Gunkel, I Russell, T Budden, M Rangelow, IW AF Olynick, Deirdre L. Perera, Pradeep Schwartzberg, Adam Kulshreshta, Prashant De Oteyza, Dimas G. Jarnagin, Nathan Henderson, Cliff Sun, Zhiwei Gunkel, Ilja Russell, Thomas Budden, Matthias Rangelow, Ivo W. TI Selective Laser Ablation in Resists and Block Copolymers for High Resolution Lithographic Patterning SO JOURNAL OF PHOTOPOLYMER SCIENCE AND TECHNOLOGY LA English DT Article DE block-copolymer; ablation; lithography ID ETCH RESISTANCE; EXCIMER LASER; FILMS; RADIATION AB Previously, we demonstrated an all dry, selective laser ablation development in methyl acetoxy calixarene (MAC6) which produced high resolution (15-25 nm half-pitch), high aspect ratio features not achievable with wet development. In this paper, we investigate the selective laser ablation process as a means to create a block copolymer derived lithographic pattern through the selective removal of one block. Two block copolymer systems were investigated PS-b-PHOST, and P2VP-b-PS-b-P2VP. The selective laser ablations process on block copolymers offers an alternative to plasma etching when plasma etching is not effective. C1 [Olynick, Deirdre L.; Perera, Pradeep; Schwartzberg, Adam; Kulshreshta, Prashant; De Oteyza, Dimas G.] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 95720 USA. [Jarnagin, Nathan; Henderson, Cliff] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Jarnagin, Nathan; Henderson, Cliff] Georgia Inst Technol, Sch Chem Engn, Atlanta, GA 30332 USA. [Sun, Zhiwei; Gunkel, Ilja; Russell, Thomas] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Sun, Zhiwei; Gunkel, Ilja; Russell, Thomas] Lawrence Berkeley Natl Lab, Berkeley, CA 95720 USA. [Budden, Matthias; Rangelow, Ivo W.] Ilmenau Univ Technol, Inst Micro & Nanoelect, Dept Micro & Nanoelect Syst MNES, D-98693 Ilmenau, Germany. RP Olynick, DL (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 95720 USA. EM dlolynick@lbl.gov RI Foundry, Molecular/G-9968-2014; de Oteyza, Dimas/H-5955-2013; perera, pradeep/I-3112-2016; OI de Oteyza, Dimas/0000-0001-8060-6819; Gunkel, Ilja/0000-0001-5738-5309 FU U.S. Department of Energy Office of Basic Energy Sciences [DE-AC02-05CH11231]; U.S. Department of Energy BES [BES-DE-FG02-96ER45612]; Seagate Technologies; Intel Corporation; German National Academic Foundation; EuropeanUnion's Seventh. Framework Programme for research, technological development and demonstration [318804] FX This team is greatly indebted to Dr. Mary Gilles of LBNL for use of the Raman microscope. The ablation studies were funded by the U.S. Department of Energy Office of Basic Energy Sciences, under contract DE-AC02-05CH11231 (P.P., A. S., D. O., and D. G. O.). Work on the PS-b-PVP-b-PS copolymers (Z. S. and T. P. R) was supported by the U.S. Department of Energy BES under contract BES-DE-FG02-96ER45612 and by a grant from Seagate Technologies. Part of this work was performed at the Molecular Foundry which is supported by the U.S. Department of Energy Office of Basic Energy Sciences, under contract DE-AC02-05CH11231. PS-PHOST was provided by Henderson and Jarnigan with financial support from Intel Corporation. We thank the German National Academic Foundation for the generous financial support which made the research exchange of Matthias Budden to the LBNL possible. In addition, I. Rangleow thanks, the EuropeanUnion's Seventh. Framework Programme for research, technological development and demonstration under Grant Agreement No. [318804] [Single Nanometer Manufacturing for beyond CMOS devices (SNM)]. NR 22 TC 1 Z9 1 U1 0 U2 13 PU TECHNICAL ASSOC PHOTOPOLYMERS,JAPAN PI CHIBA PA CHIBA UNIV, FACULTY ENGINEERING, YAYOICHO, CHIBA, 263-8522, JAPAN SN 0914-9244 J9 J PHOTOPOLYM SCI TEC JI J. Photopolym Sci. Technol. PY 2015 VL 28 IS 5 BP 663 EP 668 PG 6 WC Polymer Science SC Polymer Science GA CO0CL UT WOS:000358817600010 ER PT J AU Colvin, RA Lai, B Holmes, WR Lee, D AF Colvin, Robert A. Lai, Barry Holmes, William R. Lee, Daewoo TI Understanding metal homeostasis in primary cultured neurons. Studies using single neuron subcellular and quantitative metallomics SO METALLOMICS LA English DT Article ID X-RAY-FLUORESCENCE; GENETICALLY ENCODED SENSORS; CORTICAL-NEURONS; NEURODEGENERATIVE DISORDERS; DOPAMINERGIC-NEURONS; TRANSITION-METALS; ZN2+ HOMEOSTASIS; IRON; ZINC; MICROSCOPY AB The purpose of this study was to demonstrate how single cell quantitative and subcellular metallomics inform us about both the spatial distribution and cellular mechanisms of metal buffering and homeostasis in primary cultured neurons from embryonic rat brain, which are often used as models of human disease involving metal dyshomeostasis. The present studies utilized synchrotron radiation X-ray fluorescence (SRXRF) and focused primarily on zinc and iron, two abundant metals in neurons that have been implicated in the pathogenesis of neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease. Total single cell contents for calcium, iron, zinc, copper, manganese, and nickel were determined. Resting steady state zinc showed a diffuse distribution in both soma and processes, best defined by the mass profile of the neuron with an enrichment in the nucleus compared with the cytoplasm. Zinc buffering and homeostasis was studied using two modes of cellular zinc loading transporter and ionophore (pyrithione) mediated. Single neuron zinc contents were shown to statistically significantly increase by either loading method - ionophore: 160 million to 7 billion; transporter 160 million to 280 million atoms per neuronal soma. The newly acquired and buffered zinc still showed a diffuse distribution. Soma and processes have about equal abilities to take up zinc via transporter mediated pathways. Copper levels are distributed diffusely as well, but are relatively higher in the processes relative to zinc levels. Prior studies have observed iron puncta in certain cell types, but others have not. In the present study, iron puncta were characterized in several primary neuronal types. The results show that iron puncta could be found in all neuronal types studied and can account for up to 50% of the total steady state content of iron in neuronal soma. Although other metals can be present in iron puncta, they are predominantly iron containing and do not appear to be associated with ferritin cages or transferrin receptor endosomes. The iron content and its distribution in puncta were similar in all neuron types studied including primary dopaminergic neurons. In summary, quantitative measurements of steady state metal levels in single primary cultured neurons made possible by SRXRF analyses provide unique information on the relative levels of each metal in neuronal soma and processes, subcellular location of zinc loads, and have confirmed and extended the characterization of heretofore poorly understood cytoplasmic iron puncta. C1 [Colvin, Robert A.; Holmes, William R.; Lee, Daewoo] Ohio Univ, Dept Biol Sci, Athens, OH 45701 USA. [Lai, Barry] Argonne Natl Lab, XRay Sci Div, Argonne, IL 60439 USA. RP Colvin, RA (reprint author), Ohio Univ, Dept Biol Sci, Athens, OH 45701 USA. EM colvin@ohio.edu FU DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]; Ohio University Research Committee (OURC); Baker Fund Awards, Ohio University; Ohio Musculoskeletal and Neurological Institute (OMNI); Korea Institute of Science and Technology (Brain Science Institute), Seoul, Korea FX The assistance of Dr Iain Miller, Department of Biological Sciences, Ohio University, is greatly appreciated for sample preparation and image capture for scanning electron microscopy. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. This work was partially supported by Ohio University Research Committee (OURC) and Baker Fund Awards, Ohio University (to RAC & DL), by the Ohio Musculoskeletal and Neurological Institute (OMNI) and the Flagship Grant from Korea Institute of Science and Technology (Brain Science Institute), Seoul, Korea (to DL). NR 42 TC 7 Z9 7 U1 16 U2 25 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1756-5901 EI 1756-591X J9 METALLOMICS JI Metallomics PY 2015 VL 7 IS 7 BP 1111 EP 1123 DI 10.1039/c5mt00084j PG 13 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CO4MB UT WOS:000359133800006 PM 25894020 ER PT J AU Gerber, LCH Frischmann, PD Williams, TE Tichelaar, M Tsai, EY Liu, YS Guo, JH Pemmaraju, CD Prendergast, D Helms, BA AF Gerber, Laura C. H. Frischmann, Peter D. Williams, Teresa E. Tichelaar, Martijn Tsai, Erica Y. Liu, Yi-Sheng Guo, Jinghua Pemmaraju, C. D. Prendergast, David Helms, Brett A. TI Chemical doping enhances electronic transport in networks of hexabenzocoronenes assembled in non-aqueous electrolyte SO POLYMER CHEMISTRY LA English DT Article ID HEXA-PERI-HEXABENZOCORONENE; REDOX FLOW BATTERIES; SUPRAMOLECULAR POLYMERS; CARBON NANOTUBES; ENERGY-STORAGE; SEMICONDUCTORS; DEVICES; SURFACE AB The charge-transporting ability of supramolecular polymer networks assembled from hexabenzocoronenes (HBCs) in nonaqueous electrolyte is reported here for the first time. Enhanced electronic conductivity is observed when the HBC subunits are chemically oxidized to radical cations, which is rationalized using density functional theory. C1 [Gerber, Laura C. H.; Frischmann, Peter D.; Helms, Brett A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Energy Storage Res, Berkeley, CA 94720 USA. [Gerber, Laura C. H.; Frischmann, Peter D.; Williams, Teresa E.; Tichelaar, Martijn; Tsai, Erica Y.; Pemmaraju, C. D.; Prendergast, David; Helms, Brett A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Liu, Yi-Sheng; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Helms, BA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Energy Storage Res, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RI Foundry, Molecular/G-9968-2014; OI Helms, Brett/0000-0003-3925-4174 FU Joint Center for Energy Storage Research, an Energy Innovation Hub - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Portions of the work-including synthesis, structural characterization, and electroanalytical characterization-were carried out as part of a user project at the Molecular Foundry, which is supported by the Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy under contract no. DE-AC02-05CH11231. XAS and XES measurements were carried out on BL 8.0.1 at the Advanced Light Source, which is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under the same contract. We thank Kevin Wujcik for assistance with EPR spectroscopy. NR 42 TC 1 Z9 1 U1 2 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1759-9954 EI 1759-9962 J9 POLYM CHEM-UK JI Polym. Chem. PY 2015 VL 6 IS 31 BP 5560 EP 5564 DI 10.1039/c5py00639b PG 5 WC Polymer Science SC Polymer Science GA CN9KO UT WOS:000358766800010 ER PT J AU Bornani, K Wang, X Davis, JL Wang, XJ Wang, WY Hinestrosa, JP Mays, JW Kilbey, SM AF Bornani, Kamlesh Wang, Xu Davis, Jesse L. Wang, Xiaojun Wang, Weiyu Hinestrosa, Juan Pablo Mays, Jimmy W. Kilbey, S. Michael, II TI Impact of chain microstructure on solution and thin film self-assembly of PCHD-based semi-flexible/flexible diblock copolymers SO SOFT MATTER LA English DT Article ID ATOMIC-FORCE MICROSCOPY; BLOCK-COPOLYMERS; SOLVENT EVAPORATION; MICELLE FORMATION; AQUEOUS-SOLUTION; MICELLIZATION; VESICLES; POLYMERIZATION; AGGREGATION; MORPHOLOGY AB Self-assembly of semi-flexible/flexible block copolymers in a selective solvent is examined using a set of diblock copolymers where the chain microstructure of the semi-flexible block is manipulated in order to tune chain stiffness. Conceptually, the reduced conformational space of the semi-flexible block is anticipated to alter the way the chains pack, potentially changing the structure of self-assembled aggregates in comparison to flexible diblock copolymer analogs. Semi-flexible/flexible diblock copolymers comprised of poly(styrene)-block-poly(1,3-cyclohexadiene) (PS-b-PCHD) having systematic changes in chain microstructure, as captured by the ratio of 1,4/1,2-linkages between cyclohexenyl repeat units, and molecular weight of the PCHD blocks were synthesized using anionic polymerization. These diblocks were dissolved in tetrahydrofuran (THF), which is a preferential solvent for PS, and the structures formed were examined using laser light scattering and complementary imaging techniques. Results show that PS-b-PCHD copolymers with a chain microstructure of 90% 1,4/10% 1,2 linkages between cyclohexenyl repeat units (referred to simply as 90/10) are able to micellize, forming spherical structures, while diblocks of 70/30 and 50/50 1,4-to-1,2 ratios remain as single chains and ill-defined aggregates, respectively, when dissolved in THF. With inferences drawn from simple structural models, we speculate that this self-assembly behavior arises due to the change in the chain configuration with increasing content of 1,2-links in the backbone. This renders the chain with higher 1,2 content incapable of swelling in response to solvent and unable to pack into well-defined self-assembled structures. C1 [Bornani, Kamlesh; Wang, Xu; Davis, Jesse L.; Wang, Xiaojun; Wang, Weiyu; Mays, Jimmy W.; Kilbey, S. Michael, II] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Hinestrosa, Juan Pablo] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kilbey, S. Michael, II] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. RP Kilbey, SM (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM mkilbey@utk.edu RI Wang, Weiyu/A-6317-2016 OI Wang, Weiyu/0000-0002-2914-1638 FU Army Research Office [59668CH] FX Support for this research from the Army Research Office (Award #59668CH) is gratefully acknowledged. Access to the light scattering capabilities was enabled by the user program of the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory, by the Department of Energy, Office of Science. This research also benefitted from facilities available in the Advanced Microscopy and Imaging Center at the University of Tennessee-Knoxville, and Dr. John Dunlap is acknowledged for his assistance. NR 43 TC 1 Z9 1 U1 2 U2 8 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 2015 VL 11 IS 32 BP 6509 EP 6519 DI 10.1039/c5sm01245g PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA CO4OC UT WOS:000359139300017 PM 26186404 ER PT S AU Abdurachmanov, D Bockelman, B Elmer, P Eulisse, G Knight, R Muzaffar, S AF Abdurachmanov, David Bockelman, Brian Elmer, Peter Eulisse, Giulio Knight, Robert Muzaffar, Shahzad GP IOP TI Heterogeneous High Throughput Scientific Computing with APM X-Gene and Intel Xeon Phi SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn ID BOSON; LHC AB Electrical power requirements will be a constraint on the future growth of Distributed High Throughput Computing (DHTC) as used by High Energy Physics. Performance-per-watt is a critical metric for the evaluation of computer architectures for cost-efficient computing. Additionally, future performance growth will come from heterogeneous, many-core, and high computing density platforms with specialized processors. In this paper, we examine the Intel Xeon Phi Many Integrated Cores (MIC) co-processor and Applied Micro X-Gene ARMv8 64-bit low-power server system-on-a-chip (SoC) solutions for scientific computing applications. We report our experience on software porting, performance and energy efficiency and evaluate the potential for use of such technologies in the context of distributed computing systems such as the Worldwide LHC Computing Grid (WLCG). C1 [Abdurachmanov, David] Vilnius State Univ, Fac Math & Informat, Digital Sci & Comp Ctr, Vilnius, Lithuania. [Bockelman, Brian] Univ Nebraska Lincoln, Lincoln, NE USA. [Elmer, Peter] Princeton Univ, Dept Phys, Princeton, NJ 08540 USA. [Eulisse, Giulio; Muzaffar, Shahzad] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Knight, Robert] Princeton Univ, Res Comp, Off Informat Technol, Princeton, NJ 08540 USA. RP Abdurachmanov, D (reprint author), Vilnius State Univ, Fac Math & Informat, Digital Sci & Comp Ctr, Vilnius, Lithuania. EM David.Abdurachmanov@cern.ch NR 14 TC 2 Z9 2 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012033 DI 10.1088/1742-6596/608/1/012033 PG 9 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000033 ER PT S AU Abdurachmanov, D Elmer, P Eulisse, G Knight, R Niemi, T Nurminen, JK Nyback, F Pestana, G Ou, ZH Khan, K AF Abdurachmanov, David Elmer, Peter Eulisse, Giulio Knight, Robert Niemi, Tapio Nurminen, Jukka K. Nyback, Filip Pestana, Goncalo Ou, Zhonghong Khan, Kashif GP IOP TI Techniques and tools for measuring energy efficiency of scientific software applications SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn ID BOSON; LHC AB The scale of scientific High Performance Computing (HPC) and High Throughput Computing (HTC) has increased significantly in recent years, and is becoming sensitive to total energy use and cost. Energy-efficiency has thus become an important concern in scientific fields such as High Energy Physics (HEP). There has been a growing interest in utilizing alternate architectures, such as low power ARM processors, to replace traditional Intel x86 architectures. Nevertheless, even though such solutions have been successfully used in mobile applications with low I/O and memory demands, it is unclear if they are suitable and more energy-efficient in the scientific computing environment. Furthermore, there is a lack of tools and experience to derive and compare power consumption between the architectures for various workloads, and eventually to support software optimizations for energy efficiency. To that end, we have performed several physical and software-based measurements of workloads from HEP applications running on ARM and Intel architectures, and compare their power consumption and performance. We leverage several profiling tools (both in hardware and software) to extract different characteristics of the power use. We report the results of these measurements and the experience gained in developing a set of measurement techniques and profiling tools to accurately assess the power consumption for scientific workloads. C1 [Abdurachmanov, David] Vilnius State Univ, Fac Math & Informat, Digital Sci & Comp Ctr, Vilnius, Lithuania. [Elmer, Peter] Princeton Univ, Dept Phys, Princeton, NJ 08540 USA. [Eulisse, Giulio] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Knight, Robert] Princeton Univ, Res Comp, Off Informat Technol, Princeton, NJ 08540 USA. [Niemi, Tapio; Pestana, Goncalo; Khan, Kashif] Helsinki Inst Phys, FI-00014 Helsinki, Finland. [Nurminen, Jukka K.; Nyback, Filip; Pestana, Goncalo; Ou, Zhonghong; Khan, Kashif] Aalto Univ, Aalto 00076, Finland. RP Abdurachmanov, D (reprint author), Vilnius State Univ, Fac Math & Informat, Digital Sci & Comp Ctr, Vilnius, Lithuania. EM goncalo.pestana@aalto.fi RI Nurminen, Jukka/H-7824-2012 NR 15 TC 0 Z9 0 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012032 DI 10.1088/1742-6596/608/1/012032 PG 7 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000032 ER PT S AU Apostolakis, J Bandieramonte, M Bitzes, G Brun, R Canal, P Carminati, F Cosmo, G Licht, JCDF Duhem, L Elvira, VD Gheata, A Jun, SY Lima, G Nikitina, T Novak, M Sehgal, R Shadura, O Wenzel, S AF Apostolakis, J. Bandieramonte, M. Bitzes, G. Brun, R. Canal, P. Carminati, F. Cosmo, G. Licht, J. C. De Fine Duhem, L. Elvira, V. D. Gheata, A. Jun, S. Y. Lima, G. Nikitina, T. Novak, M. Sehgal, R. Shadura, O. Wenzel, S. GP IOP TI Towards a high performance geometry library for particle-detector simulations SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn AB Thread-parallelisation and single-instruction multiple data (SIMD) "vectorisation" of software components in HEP computing has become a necessity to fully benefit from current and future computing hardware. In this context, the Geant-Vector/GPU simulation project aims to re-engineer current software for the simulation of the passage of particles through detectors in order to increase the overall event throughput. As one of the core modules in this area, the geometry library plays a central role and vectorising its algorithms will be one of the cornerstones towards achieving good CPU performance. Here, we report on the progress made in vectorising the shape primitives, as well as in applying new C++ template based optimisations of existing code available in the Geant4, ROOT or USolids geometry libraries. We will focus on a presentation of our software development approach that aims to provide optimised code for all use cases of the library (e.g., single particle and many-particle APIs) and to support different architectures (CPU and GPU) while keeping the code base small, manageable and maintainable. We report on a generic and templated C++ geometry library as a continuation of the AIDA USolids project. The experience gained with these developments will be beneficial to other parts of the simulation software, such as for the optimisation of the physics library, and possibly to other parts of the experiment software stack, such as reconstruction and analysis. C1 [Apostolakis, J.; Bitzes, G.; Brun, R.; Carminati, F.; Cosmo, G.; Licht, J. C. De Fine; Gheata, A.; Nikitina, T.; Novak, M.; Wenzel, S.] European Org Nucl Res CERN Geneva, Geneva, Switzerland. [Bandieramonte, M.] Univ Catania, I-95124 Catania, Italy. [Bandieramonte, M.] INAF, Rome, Italy. [Canal, P.; Elvira, V. D.; Jun, S. Y.; Lima, G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Duhem, L.] Intel Corp, Santa Clara, CA 95051 USA. [Sehgal, R.] Bhabha Atom Res Ctr, Bombay 400085, Maharashtra, India. [Shadura, O.] Natl Tech Univ Ukraine, Kyiv Politech Inst, Kiev, Ukraine. RP Wenzel, S (reprint author), European Org Nucl Res CERN Geneva, Geneva, Switzerland. EM sandro.wenzel@cern.ch NR 9 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012023 DI 10.1088/1742-6596/608/1/012023 PG 6 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000023 ER PT S AU Apostolakis, J Bandieramonte, M Bitzes, G Brun, R Canal, P Carminati, F Licht, JCDF Duhem, L Elvira, VD Gheata, A Jun, SY Lima, G Novak, M Sehgal, R Shadura, O Wenzel, S AF Apostolakis, J. Bandieramonte, M. Bitzes, G. Brun, R. Canal, P. Carminati, F. Licht, J. C. De Fine Duhem, L. Elvira, V. D. Gheata, A. Jun, S. Y. Lima, G. Novak, M. Sehgal, R. Shadura, O. Wenzel, S. GP IOP TI Adaptive track scheduling to optimize concurrency and vectorization in GeantV SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn AB The GeantV project is focused on the R&D of new particle transport techniques to maximize parallelism on multiple levels, profiting from the use of both SIMD instructions and co-processors for the CPU-intensive calculations specific to this type of applications. In our approach, vectors of tracks belonging to multiple events and matching different locality criteria must be gathered and dispatched to algorithms having vector signatures. While the transport propagates tracks and changes their individual states, data locality becomes harder to maintain. The scheduling policy has to be changed to maintain efficient vectors while keeping an optimal level of concurrency. The model has complex dynamics requiring tuning the thresholds to switch between the normal regime and special modes, i.e. prioritizing events to allow flushing memory, adding new events in the transport pipeline to boost locality, dynamically adjusting the particle vector size or switching between vector to single track mode when vectorization causes only overhead. This work requires a comprehensive study for optimizing these parameters to make the behaviour of the scheduler self-adapting, presenting here its initial results. C1 [Apostolakis, J.; Brun, R.; Carminati, F.; Gheata, A.; Novak, M.; Wenzel, S.] European Org Nucl Res CERN, Geneva, Switzerland. [Bandieramonte, M.] Univ Catania, I-95124 Catania, Italy. [Bandieramonte, M.] INAF, Rome, Italy. [Bitzes, G.] Univ Athens, GR-10679 Athens, Greece. [Canal, P.; Elvira, V. D.; Jun, S. Y.; Lima, G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Licht, J. C. De Fine] Univ Copenhagen, DK-1168 Copenhagen, Denmark. [Duhem, L.] Intel Corp, Santa Clara, CA 95051 USA. [Sehgal, R.] Bhabha Atom Res Ctr, Bombay 400085, Maharashtra, India. [Shadura, O.] Natl Tech Univ Ukraine, Kyiv Politech Inst, Kiev, Ukraine. RP Apostolakis, J (reprint author), European Org Nucl Res CERN, Geneva, Switzerland. EM Andrei.Gheata@cern.ch NR 6 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012003 DI 10.1088/1742-6596/608/1/012003 PG 8 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000003 ER PT S AU Arkhipkin, D Lauret, J AF Arkhipkin, D. Lauret, J. GP IOP TI STAR Online Framework: from Metadata Collection to Event Analysis and System Control SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn AB In preparation for the new era of RHIC running (RHIC-II upgrades and possibly, the eRHIC era), the STAR experiment is expanding its modular Message Interface and Reliable Architecture framework (MIRA). MIRA allowed STAR to integrate meta-data collection, monitoring, and online QA components in a very agile and efficient manner using a messaging infrastructure approach. In this paper, we briefly summarize our past achievements, provide an overview of the recent development activities focused on messaging patterns and describe our experience with the complex event processor (CEP) recently integrated into the MTRA framework. CEP was used in the recent RiliC Run 14, which provided practical use cases. Finally, we present our requirements and expectations for the planned expansion of our systems, which will allow our framework to acquire features typically associated with Detector Control Systems. Special attention is given to aspects related to latency, scalability and interoperability within heterogeneous set of services, various data and meta-data acquisition components coexisting in STAR online domain. C1 [Arkhipkin, D.; Lauret, J.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Arkhipkin, D (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM arkhipkin@bnl.gov; jlauret@bnl.gov NR 2 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012036 DI 10.1088/1742-6596/608/1/012036 PG 5 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000036 ER PT S AU Borodin, M De, K Navarro, JG Golubkov, D Klimentov, A Maeno, T Vaniachine, A AF Borodin, M. De, K. Garcia Navarro, J. Golubkov, D. Klimentov, A. Maeno, T. Vaniachine, A. CA ATLAS Collaboration GP IOP TI Multilevel Workflow System in the ATLAS Experiment SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn AB The ATLAS experiment is scaling up Big Data processing for the next LHC run using a multilevel workflow system comprised of many layers. In Big Data processing ATLAS deals with datasets, not individual files. Similarly a task (comprised of many jobs) has become a unit of the ATLAS workflow in distributed computing, with about 0.8M tasks processed per year. In order to manage the diversity of LHC physics (exceeding 35K physics samples per year), the individual data processing tasks are organized into workflows. For example, the Monte Carlo workflow is composed of many steps: generate or configure hard-processes, hadronize signal and minimum-bias (pileup) events, simulate energy deposition in the ATLAS detector, digitize electronics response, simulate triggers, reconstruct data, convert the reconstructed data into ROOT ntuples for physics analysis, etc. Outputs are merged and/or filtered as necessary to optimize the chain. The bi-level workflow manager - ProdSys2 - generates actual workflow tasks and their jobs are executed across more than a hundred distributed computing sites by PanDA - the ATLAS job-level workload management system. On the outer level, the Database Engine for Tasks (DEfT) empowers production managers with templated workflow definitions. On the next level, the Job Execution and Definition Interface (JEDI) is integrated with PanDA to provide dynamic job definition tailored to the sites capabilities. We report on scaling up the production system to accommodate a growing number of requirements from main ATLAS areas: Trigger, Physics and Data Preparation. C1 [Borodin, M.] Natl Res Nucl Univ MEPhI, Dept Elementary Particle Phys, Moscow 117513, Russia. [De, K.] Univ Texas Arlington, Dept Phys, Arlington, TX 76019 USA. [Garcia Navarro, J.] Univ Valencia, Inst Fis Corpuscular, E-46980 Paterna, Spain. [Golubkov, D.] Inst High Energy Phys, Expt Phys Dept, Protvino 142281, Russia. [Golubkov, D.] Natl Res Ctr Kurchatov Inst, Big Data Lab, Moscow 123182, Russia. [Klimentov, A.; Maeno, T.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Vaniachine, A.] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. RP Borodin, M (reprint author), Natl Res Nucl Univ MEPhI, Dept Elementary Particle Phys, Moscow 117513, Russia. EM vaniachine@anl.gov NR 9 TC 2 Z9 2 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012015 DI 10.1088/1742-6596/608/1/012015 PG 5 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000015 ER PT S AU Jones, RWL Stewart, GA Leggett, C Wynne, BM AF Jones, R. W. L. Stewart, G. A. Leggett, C. Wynne, B. M. GP IOP TI Evolution of the ATLAS Software Framework towards Concurrency SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn AB The ATLAS experiment has successfully used its Gaudi/Athena software framework for data taking and analysis during the first LHC run, with billions of events successfully processed. However, the design of Gaudi/Athena dates from early 2000 and the software and the physics code has been written using a single threaded, serial design. This programming model has increasing difficulty in exploiting the potential of current CPUs, which offer their best performance only through taking full advantage of multiple cores and wide vector registers. Future CPU evolution will intensify this trend, with core counts increasing and memory per core falling. Maximising performance per watt will be a key metric, so all of these cores must be used as efficiently as possible. In order to address the deficiencies of the current framework, ATLAS has embarked upon two projects: first, a practical demonstration of the use of multi-threading in our reconstruction software, using the GaudiHive framework; second, an exercise to gather requirements for an updated framework, going back to the first principles of how event processing occurs. In this paper we report on both these aspects of our work. For the hive based demonstrators, we discuss what changes were necessary in order to allow the serially designed ATLAS code to run, both to the framework and to the tools and algorithms used. We report on what general lessons were learned about the code patterns that had been employed in the software and which patterns were identified as particularly problematic for multi-threading. These lessons were fed into our considerations of a new framework and we present preliminary conclusions on this work. In particular we identify areas where the framework can be simplified in order to aid the implementation of a concurrent event processing scheme. Finally, we discuss the practical difficulties involved in migrating a large established code base to a multi-threaded framework and how this can be achieved for LHC Run 3. C1 [Jones, R. W. L.] Univ Lancaster, Dept Phys, Lancaster, England. [Stewart, G. A.] Univ Glasgow, Sch Phys & Astron, Glasgow, Lanark, Scotland. [Leggett, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Leggett, C.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Wynne, B. M.] Univ Edinburgh, Sch Phys & Astron, Edinburgh, Midlothian, Scotland. RP Jones, RWL (reprint author), Univ Lancaster, Dept Phys, Lancaster, England. EM Roger.Jones@lancaster.ac.uk RI Jones, Roger/H-5578-2011 OI Jones, Roger/0000-0002-6427-3513 NR 3 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012037 DI 10.1088/1742-6596/608/1/012037 PG 5 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000037 ER PT S AU Klimentov, A Buncic, P De, K Jha, S Maeno, T Mount, R Nilsson, P Oleynik, D Panitkin, S Petrosyan, A Porter, RJ Read, KF Vaniachine, A Wells, JC Wenaus, T AF Klimentov, A. Buncic, P. De, K. Jha, S. Maeno, T. Mount, R. Nilsson, P. Oleynik, D. Panitkin, S. Petrosyan, A. Porter, R. J. Read, K. F. Vaniachine, A. Wells, J. C. Wenaus, T. GP IOP TI Next Generation Workload Management System For Big Data on Heterogeneous Distributed Computing SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn ID DETECTOR; PARTICLE AB The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. Experiments at the LHC explore the fundamental nature of matter and the basic forces that shape our universe, and were recently credited for the discovery of a Higgs boson. ATLAS and ALICE are the largest collaborations ever assembled in the sciences and are at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, both experiments rely on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System (WMS) for managing the workflow for all data processing on hundreds of data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data centers are physically scattered all over the world. The scale is demonstrated by the following numbers: PanDA manages O(10(2)) sites, O(10(5)) cores, O(10(8)) jobs per year, O(10(3)) users, and ATLAS data volume is O(10(17)) bytes. In 2013 we started an ambitious program to expand PanDA to all available computing resources, including opportunistic use of commercial and academic clouds and Leadership Computing Facilities (LCF). The project titled 'Next Generation Workload Management and Analysis System for Big Data' (BigPanDA) is funded by DOE ASCR and HEP. Extending PanDA to clouds and LCF presents new challenges in managing heterogeneity and supporting workflow. The BigPanDA project is underway to setup and tailor PanDA at the Oak Ridge Leadership Computing Facility (OLCF) and at the National Research Center "Kurchatov Institute" together with ALICE distributed computing and ORNL computing professionals. Our approach to integration of HPC platforms at the OLCF and elsewhere is to reuse, as much as possible, existing components of the PanDA system. We will present our current accomplishments with running the PanDA WMS at OLCF and other supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facilities infrastructure for High Energy and Nuclear Physics as well as other data-intensive science applications. C1 [Klimentov, A.; Maeno, T.; Nilsson, P.; Panitkin, S.; Wenaus, T.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Buncic, P.] CERN, Geneva, Switzerland. [De, K.; Oleynik, D.; Petrosyan, A.] Univ Texas Arlington, Arlington, TX 76019 USA. [De, K.; Oleynik, D.; Petrosyan, A.] Rutgers State Univ, Piscataway, NJ USA. [Mount, R.] SLAC Natl Accelerator Lab, Menlo Pk, CA USA. [Porter, R. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Read, K. F.; Wells, J. C.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Vaniachine, A.] Argonne Natl Lab Lemont, Argonne, IL USA. RP Klimentov, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM aak@bnl.gov RI Wells, Jack/D-3675-2016; OI Wells, Jack/0000-0002-5083-3030; Read, Kenneth/0000-0002-3358-7667 NR 7 TC 1 Z9 1 U1 1 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012040 DI 10.1088/1742-6596/608/1/012040 PG 8 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000040 ER PT S AU Lange, DJ Hildreth, M Ivantchenko, VN Osborne, I AF Lange, D. J. Hildreth, M. Ivantchenko, V. N. Osborne, I. CA CMS Collaboration GP IOP TI Upgrades for the CMS simulation SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn AB Over the past several years, the CMS experiment has made significant changes to its detector simulation application. The geometry has been generalized to include modifications being made to the CMS detector for 2015 operations, as well as model improvements to the simulation geometry of the current CMS detector and the implementation of a number of approved and possible future detector configurations. These include both completely new tracker and calorimetry systems. We have completed the transition to Geant4 version 10, we have made significant progress in reducing the CPU resources required to run our Geant4 simulation. These have been achieved through both technical improvements and through numerical techniques. Substantial speed improvements have been achieved without changing the physics validation benchmarks that the experiment uses to validate our simulation application for use in production. In this presentation, we will discuss the methods that we implemented and the corresponding demonstrated performance improvements deployed for our 2015 simulation application. C1 [Lange, D. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Hildreth, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Ivantchenko, V. N.] CERN, Geneva, Switzerland. [Osborne, I.] Fermi Natl Lab, Batavia, IL 60510 USA. RP Lange, DJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 6 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012056 DI 10.1088/1742-6596/608/1/012056 PG 6 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000056 ER PT S AU Makatun, D Lauret, J Rudova, H Sumbera, M AF Makatun, Dzmitry Lauret, Jerome Rudova, Hana Sumbera, Michal GP IOP TI Planning for distributed workflows: constraint-based coscheduling of computational jobs and data placement in distributed environments SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn AB When running data intensive applications on distributed computational resources long I/O overheads may be observed as access to remotely stored data is performed. Latencies and bandwidth can become the major limiting factor for the overall computation performance and can reduce the CPU/WallTime ratio to excessive TO wait. Reusing the knowledge of our previous research, we propose a constraint programming based planner that schedules computational jobs and data placements (transfers) in a distributed environment in order to optimize resource utilization and reduce the overall processing completion time. The optimization is achieved by ensuring that none of the resources (network links, data storages and CPUs) are oversaturated at any moment of time and either (a) that the data is pre-placed at the site where the job runs or (b) that the jobs are scheduled where the data is already present. Such an approach eliminates the idle CPU cycles occurring when the job is waiting for the I/O from a remote site and would have wide application in the community. Our planner was evaluated and simulated based on data extracted from log files of batch and data management systems of the STAR experiment. The results of evaluation and estimation of performance improvements are discussed in this paper. C1 [Makatun, Dzmitry] Czech Tech Univ, Fac Nucl Phys & Phys Engn, CR-16635 Prague, Czech Republic. [Lauret, Jerome] Brookhaven Natl Lab, STAR, Upton, NY 11973 USA. [Makatun, Dzmitry; Sumbera, Michal] Acad Sci Czech Republic, Nucl Phys Inst, Prague, Czech Republic. [Rudova, Hana] Masaryk Univ, CS-60177 Brno, Czech Republic. RP Makatun, D (reprint author), Czech Tech Univ, Fac Nucl Phys & Phys Engn, CR-16635 Prague, Czech Republic. EM dzmitry.makatun@fjfi.cvut.cz RI Makatun, Dzmitry/O-2487-2015; Sumbera, Michal/O-7497-2014 OI Sumbera, Michal/0000-0002-0639-7323 NR 9 TC 0 Z9 0 U1 1 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012028 DI 10.1088/1742-6596/608/1/012028 PG 6 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000028 ER PT S AU Sexton-Kennedy, E Gartung, P Jones, CD Lange, D AF Sexton-Kennedy, E. Gartung, Patrick Jones, C. D. Lange, David GP IOP TI Implementation of a Multi-threaded Framework for Large-scale Scientific Applications SO 16TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS TECHNIQUES IN PHYSICS RESEARCH (ACAT2014) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT) CY SEP 01-05, 2014 CL Czech Tech Univ, Fac Civil Engn, Prague, CZECH REPUBLIC SP Western Digital, Brookhaven Natl Lab, Hewlett Packard, DataDirect Networks, M Comp, Bright Comp, Huawei, PDV Systemhaus HO Czech Tech Univ, Fac Civil Engn AB The CMS experiment has recently completed the development of a multi-threaded capable application framework. In this paper, we will discuss the design, implementation and application of this framework to production applications in CMS. For the 2015 LHC run, this functionality is particularly critical for both our online and offline production applications, which depend on faster turn-around times and a reduced memory footprint relative to before. These applications are complex codes, each including a large number of physics-driven algorithms. While the framework is capable of running a mix of thread-safe and "legacy" modules, algorithms running in our production applications need to be thread-safe for optimal use of this multi-threaded framework at a large scale. Towards this end, we discuss the types of changes, which were necessary for our algorithms to achieve good performance of our multi-threaded applications in a full-scale application. Finally performance numbers for what has been achieved for the 2015 run are presented. C1 [Sexton-Kennedy, E.; Gartung, Patrick; Jones, C. D.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Lange, David] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Sexton-Kennedy, E (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM sexton@fnal.gov; cdj@fnal.gov; gartung@fnal.gov; David.Lange@cern.ch NR 3 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 608 AR 012034 DI 10.1088/1742-6596/608/1/012034 PG 6 WC Computer Science, Interdisciplinary Applications; Physics, Multidisciplinary SC Computer Science; Physics GA BD1PA UT WOS:000358218000034 ER PT J AU Mu, G Sandu, V Li, W Shen, B AF Mu, Gang Sandu, Viorel Li, Wei Shen, Bing TI Exotic Superconductivity in Correlated Electron Systems SO ADVANCES IN CONDENSED MATTER PHYSICS LA English DT Editorial Material C1 [Mu, Gang; Li, Wei] Chinese Acad Sci, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China. [Mu, Gang; Li, Wei] Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, Shanghai Ctr Superconduct, Shanghai 200050, Peoples R China. [Sandu, Viorel] Natl Inst Mat Phys, Magurele 077125, Romania. [Shen, Bing] Argonne Natl Lab, Argonne, IL 60439 USA. RP Mu, G (reprint author), Chinese Acad Sci, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China. EM mugang@mail.sim.ac.cn RI Mu, Gang/G-9407-2011; Li, Wei/B-4936-2016 OI Mu, Gang/0000-0001-5676-4702; Li, Wei/0000-0002-3251-1919 NR 0 TC 1 Z9 1 U1 2 U2 7 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-8108 EI 1687-8124 J9 ADV COND MATTER PHYS JI Adv. Condens. Matter Phys. PY 2015 AR 180195 DI 10.1155/2015/180195 PG 2 WC Physics, Condensed Matter SC Physics GA CO1KO UT WOS:000358913600001 ER PT S AU Das, S Robinson, JA Dubey, M Terrones, H Terrones, M AF Das, Saptarshi Robinson, Joshua A. Dubey, Madan Terrones, Humberto Terrones, Mauricio BE Clarke, DR TI Beyond Graphene: Progress in Novel Two-Dimensional Materials and van der Waals Solids SO ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 45 SE Annual Review of Materials Research LA English DT Review; Book Chapter DE 2D materials; synthesis; electronics; photonics; catalysis ID FIELD-EFFECT TRANSISTORS; CHEMICAL-VAPOR-DEPOSITION; MOS2 THIN-FILM; TRANSITION-METAL DICHALCOGENIDES; HYDROGEN EVOLUTION REACTION; LOW-RESISTANCE CONTACTS; ACTIVE EDGE SITES; SINGLE-LAYER MOS2; P-N-JUNCTIONS; MOLYBDENUM-DISULFIDE AB Interest in 2D materials and van der Waals solids is growing exponentially across various scientific and engineering disciplines owing to their fascinating electrical, optical, chemical, and thermal properties. Whereas the micromechanical exfoliation technique has been adopted for rapid material characterization and demonstration of innovative device ideas based on these 2D systems, significant advances have recently been made in large-scale homogeneous and heterogeneous growth of these materials. This review reflects recent progress and outlines future prospects of these novel 2D materials. We provide a holistic overview of the different synthesis and characterization techniques, electronic and photonic device characteristics, and catalytic properties of transition metal dichalcogenides and their heterostructures. We also comment on the challenges that need to be overcome for full-scale commercial implementation of this novel class of layered materials. C1 [Das, Saptarshi] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Robinson, Joshua A.; Terrones, Mauricio] Penn State Univ, Dept Mat Sci, University Pk, PA 16802 USA. [Robinson, Joshua A.; Terrones, Mauricio] Penn State Univ, Ctr Two Dimens & Layered Mat, University Pk, PA 16802 USA. [Dubey, Madan] US Army Res Lab, Sensors & Electron Devices Directorate, Adelphi, MD 20723 USA. [Terrones, Humberto] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [Terrones, Mauricio] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Terrones, Mauricio] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. RP Das, S (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM das@anl.gov; jrobinson@psu.edu; madan.dubey.civ@mail.mil; terroh@rpi.edu; mut11@psu.edu FU US Army Research Office MURI [W911NF-11-1-0362]; LEAST (the Center for Low Energy Systems Technology); MARCO; DARPA; Penn State Center for Nanoscale Science for a seed grant [DMR-0820404]; Department of Energy (DoE) Office of High Energy Physics [DE-AC02-06CH11357]; DoE, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; National Science Foundation [EFRI-1433311] FX We thank Ruitao Lv and Simin Feng for fruitful discussions. This work is supported by the US Army Research Office MURI grant W911NF-11-1-0362 and by LEAST (the Center for Low Energy Systems Technology), one of six centers supported by the STARnet phase of the Focus Center Research Program, a Semiconductor Research Corporation program sponsored by MARCO and DARPA. M.T. and J.A.R. also acknowledge support from the Penn State Center for Nanoscale Science for a seed grant on 2D layered materials (DMR-0820404). The authors also acknowledge the Center for Two-Dimensional and Layered Materials. The work of S.D. is supported by the Department of Energy (DoE) Office of High Energy Physics under DoE contract DE-AC02-06CH11357. Use of the Center for Nanoscale Materials at Argonne was supported by the DoE, Office of Science, Office of Basic Energy Sciences, under contract DE-AC02-06CH11357. H.T. acknowledges support from the National Science Foundation (EFRI-1433311). NR 150 TC 54 Z9 54 U1 54 U2 266 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1531-7331 BN 978-0-8243-1745-4 J9 ANNU REV MATER RES JI Ann. Rev. Mater. Res. PY 2015 VL 45 BP 1 EP 27 DI 10.1146/annurev-matsci-070214-021034 PG 27 WC Materials Science, Multidisciplinary SC Materials Science GA BD1XC UT WOS:000358484200001 ER PT J AU Afonine, PV Urzhumtsev, A Adams, PD AF Afonine, Pavel V. Urzhumtsev, Alexandre Adams, Paul D. TI MACROMOLECULAR CRYSTALLOGRAPHIC STRUCTURE REFINEMENT SO ARBOR-CIENCIA PENSAMIENTO Y CULTURA LA English DT Article DE bulk-solvent; constraints; fast gradient calculation; Fourier maps; maximum-likelihood; minimization; neutrons; optimization; refinement; restraints; structure factors; X-rays ID LEAST-SQUARES REFINEMENT; FAST FOURIER-TRANSFORM; PROTEIN DATA-BANK; X-RAY; MAXIMUM-LIKELIHOOD; CRYSTAL-STRUCTURES; BULK-SOLVENT; R-FACTOR; RESOLUTION; MODEL AB Model refinement is a key step in crystallographic structure determination that ensures final atomic structure of macromolecule represents measured diffraction data as good as possible. Several decades have been put into developing methods and computational tools to streamline this step. In this manuscript we provide a brief overview of major milestones of crystallographic computing and methods development pertinent to structure refinement. C1 [Afonine, Pavel V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Urzhumtsev, Alexandre] Univ Lorraine, Ctr Integrat Biol, IGBMC, CNRS INSERM UdS, Nancy, France. [Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Afonine, PV (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM PAfonine@lbl.gov; sacha@igbmc.fr; pdadams@lbl.gov NR 74 TC 1 Z9 1 U1 3 U2 9 PU LIBRERIA CIENTIFICA MEDINACELI PI MADRID PA DUQUE DE MEDINACELI 4, 14 MADRID, SPAIN SN 0210-1963 EI 1988-303X J9 ARBOR JI Arbor-Cienc. Pensam. Cult. PY 2015 VL 191 IS 772 AR a219 DI 10.3989/arbor.2015.772n2005 PG 14 WC Humanities, Multidisciplinary SC Arts & Humanities - Other Topics GA CN8HD UT WOS:000358679900006 ER PT J AU Liu, J Scheuer, E Dibb, J Diskin, GS Ziemba, LD Thornhill, KL Anderson, BE Wisthaler, A Mikoviny, T Devi, JJ Bergin, M Perring, AE Markovic, MZ Schwarz, JP Campuzano-Jost, P Day, DA Jimenez, JL Weber, RJ AF Liu, J. Scheuer, E. Dibb, J. Diskin, G. S. Ziemba, L. D. Thornhill, K. L. Anderson, B. E. Wisthaler, A. Mikoviny, T. Devi, J. J. Bergin, M. Perring, A. E. Markovic, M. Z. Schwarz, J. P. Campuzano-Jost, P. Day, D. A. Jimenez, J. L. Weber, R. J. TI Brown carbon aerosol in the North American continental troposphere: sources, abundance, and radiative forcing SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID LIGHT-ABSORPTION ENHANCEMENT; SOUTHEASTERN UNITED-STATES; BIOMASS BURNING PARTICLES; SECONDARY ORGANIC AEROSOL; BLACK CARBON; OPTICAL-PROPERTIES; SOLAR-RADIATION; RESOLVED MEASUREMENTS; CHEMICAL-COMPOSITION; ANGSTROM EXPONENT AB Chemical components of organic aerosol (OA) selectively absorb light at short wavelengths. In this study, the prevalence, sources, and optical importance of this so-called brown carbon (BrC) aerosol component are investigated throughout the North American continental tropospheric column during a summer of extensive biomass burning. Spectrophotometric absorption measurements on extracts of bulk aerosol samples collected from an aircraft over the central USA were analyzed to directly quantify BrC abundance. BrC was found to be prevalent throughout the 1 to 12 km altitude measurement range, with dramatic enhancements in biomass-burning plumes. BrC to black carbon (BC) ratios, under background tropospheric conditions, increased with altitude, consistent with a corresponding increase in the absorption Angstrom exponent (AAE) determined from a three-wavelength particle soot absorption photometer (PSAP). The sum of inferred BC absorption and measured BrC absorption at 365 nm was within 3% of the measured PSAP absorption for background conditions and 22% for biomass burning. A radiative transfer model showed that BrC absorption reduced top-of-atmosphere (TOA) aerosol forcing by similar to 20% in the background troposphere. Extensive radiative model simulations applying this study background tropospheric conditions provided a look-up chart for determining radiative forcing efficiencies of BrC as a function of a surface-measured BrC : BC ratio and single scattering albedo (SSA). The chart is a first attempt to provide a tool for better assessment of brown carbon's forcing effect when one is limited to only surface data. These results indicate that BrC is an important contributor to direct aerosol radiative forcing. C1 [Liu, J.; Weber, R. J.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Scheuer, E.; Dibb, J.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. [Diskin, G. S.; Ziemba, L. D.; Thornhill, K. L.; Anderson, B. E.] NASA, Langley Res Ctr, Hampton, VA 23681 USA. [Wisthaler, A.] Univ Innsbruck, Inst Ion Phys & Appl Phys, A-6020 Innsbruck, Austria. [Mikoviny, T.] Oak Ridge Associated Univ, Oak Ridge, TN 37830 USA. [Devi, J. J.; Bergin, M.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. [Perring, A. E.; Markovic, M. Z.; Schwarz, J. P.] Natl Ocean & Atmospher Adm, Earth Syst Res Lab, Chem Sci Div, Boulder, CO 80305 USA. [Perring, A. E.; Markovic, M. Z.; Schwarz, J. P.; Campuzano-Jost, P.; Day, D. A.; Jimenez, J. L.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Campuzano-Jost, P.; Day, D. A.; Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. RP Weber, RJ (reprint author), Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. EM rodney.weber@eas.gatech.edu RI Liu, Jiumeng/K-2024-2012; Perring, Anne/G-4597-2013; Jimenez, Jose/A-5294-2008; schwarz, joshua/G-4556-2013; Manager, CSD Publications/B-2789-2015 OI Liu, Jiumeng/0000-0001-7238-593X; Perring, Anne/0000-0003-2231-7503; Jimenez, Jose/0000-0001-6203-1847; schwarz, joshua/0000-0002-9123-2223; FU GIT NASA [NNX12AB83G, NNX08AH80G]; UNH NASA [NNX12AB80G]; NASA [NNX12AC03G] FX This project was funded by GIT NASA contracts NNX12AB83G and NNX08AH80G and UNH NASA contract NNX12AB80G. Acetonitrile measurements onboard the DC-8 were supported by BMVIT/FFG-ALR and the NASA Postdoctoral Program. P. Campuzano-Jost, D. A. Day, and J. L. Jimenez were supported by NASA NNX12AC03G. The authors thank the DC3 personnel for logistical support. NR 70 TC 10 Z9 10 U1 5 U2 44 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 14 BP 7841 EP 7858 DI 10.5194/acp-15-7841-2015 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CN9VS UT WOS:000358799000007 ER PT J AU Evans, M Kholod, N Malyshev, V Tretyakova, S Gusev, E Yu, S Barinov, A AF Evans, M. Kholod, N. Malyshev, V. Tretyakova, S. Gusev, E. Yu, S. Barinov, A. TI Black carbon emissions from Russian diesel sources: case study of Murmansk SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID FUTURE AB Black carbon (BC) is a potent pollutant because of its effects on climate change, ecosystems and human health. Black carbon has a particularly pronounced impact as a climate forcer in the Arctic because of its effect on snow albedo and cloud formation. We have estimated BC emissions from diesel sources in the Murmansk Region and Murmansk City, the largest city in the world above the Arctic Circle. In this study we developed a detailed inventory of diesel sources including on-road vehicles, off-road transport (mining, locomotives, construction and agriculture), ships and diesel generators. For on-road transport, we conducted several surveys to understand the vehicle fleet and driving patterns, and, for all sources, we also relied on publicly available local data sets and analysis. We calculated that BC emissions in the Murmansk Region were 0.40 Gg in 2012. The mining industry is the largest source of BC emissions in the region, emitting 69% of all BC emissions because of its large diesel consumption and absence of emissions controls. On-road vehicles are the second largest source, emitting about 13% of emissions. Old heavy duty trucks are the major source of emissions. Emission controls on new vehicles limit total emissions from on-road transportation. Vehicle traffic and fleet surveys show that many of the older cars on the registry are lightly or never used. We also estimated that total BC emissions from diesel sources in Russia were 50.8 Gg in 2010, and on-road transport contributed 49% of diesel BC emissions. Agricultural machinery is also a significant source Russia-wide, in part because of the lack of controls on off-road vehicles. C1 [Evans, M.; Kholod, N.; Yu, S.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Malyshev, V.; Gusev, E.; Barinov, A.] Murmansk State Tech Univ, Dept Energy & Transport, Murmansk, Russia. [Tretyakova, S.] Murmansk State Tech Univ, Dept Environm, Murmansk, Russia. RP Evans, M (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. EM m.evans@pnnl.gov RI gusev, yugeniy/G-4711-2014; OI gusev, yugeniy/0000-0003-3886-2143; Malyshev, Vladimir/0000-0002-1178-1776 FU US Environmental Protection Agency, Office of International and Tribal Affairs [X4-83527901]; US Department of State; US Department of Energy [DE-AC05-76RL01831] FX The authors are grateful for research support provided by the US Environmental Protection Agency, Office of International and Tribal Affairs (grant no. X4-83527901) and the US Department of State. Battelle Memorial Institute operates the Pacific Northwest National Laboratory for the US Department of Energy under contract DE-AC05-76RL01831. We thank the members of the Technical Steering Group for their helpful comments and suggestions. The views and opinions expressed in this paper are those of the authors alone. NR 26 TC 5 Z9 5 U1 2 U2 6 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 14 BP 8349 EP 8359 DI 10.5194/acp-15-8349-2015 PG 11 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CN9VS UT WOS:000358799000032 ER PT J AU Wagner, NL Brock, CA Angevine, WM Beyersdorf, A Campuzano-Jost, P Day, DA de Gouw, JA Diskin, GS Gordon, TD Graus, MG Holloway, JS Huey, G Jimenez, JL Lack, DA Liao, J Liu, X Markovic, MZ Middlebrook, AM Mikoviny, T Peischl, J Perring, AE Richardson, MS Ryerson, TB Schwarz, JP Warneke, C Welti, A Wisthaler, A Ziemba, LD Murphy, DM AF Wagner, N. L. Brock, C. A. Angevine, W. M. Beyersdorf, A. Campuzano-Jost, P. Day, D. A. de Gouw, J. A. Diskin, G. S. Gordon, T. D. Graus, M. G. Holloway, J. S. Huey, G. Jimenez, J. L. Lack, D. A. Liao, J. Liu, X. Markovic, M. Z. Middlebrook, A. M. Mikoviny, T. Peischl, J. Perring, A. E. Richardson, M. S. Ryerson, T. B. Schwarz, J. P. Warneke, C. Welti, A. Wisthaler, A. Ziemba, L. D. Murphy, D. M. TI In situ vertical profiles of aerosol extinction, mass, and composition over the southeast United States during SENEX and SEAC(4)RS: observations of a modest aerosol enhancement aloft (vol 15, pg 7085, 2015) SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Correction C1 [Wagner, N. L.; Brock, C. A.; Angevine, W. M.; de Gouw, J. A.; Gordon, T. D.; Graus, M. G.; Holloway, J. S.; Lack, D. A.; Liao, J.; Markovic, M. Z.; Middlebrook, A. M.; Peischl, J.; Perring, A. E.; Richardson, M. S.; Ryerson, T. B.; Schwarz, J. P.; Warneke, C.; Welti, A.; Murphy, D. M.] NOAA, Earth Syst Res Lab, Boulder, CO 80305 USA. [Wagner, N. L.; Angevine, W. M.; Campuzano-Jost, P.; Day, D. A.; de Gouw, J. A.; Gordon, T. D.; Graus, M. G.; Holloway, J. S.; Jimenez, J. L.; Lack, D. A.; Liao, J.; Markovic, M. Z.; Peischl, J.; Perring, A. E.; Richardson, M. S.; Schwarz, J. P.; Warneke, C.; Welti, A.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Beyersdorf, A.; Diskin, G. S.; Ziemba, L. D.] NASA, Langley Res Ctr, Hampton, VA 23681 USA. [Campuzano-Jost, P.; Day, D. A.; Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Huey, G.; Liu, X.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Mikoviny, T.] Oak Ridge Associated Univ, Oak Ridge, TN USA. [Welti, A.] Swiss Fed Inst Technol, Inst Atmospher & Climate Sci, Zurich, Switzerland. [Wisthaler, A.] Univ Innsbruck, Inst Ion Phys & Appl Phys, A-6020 Innsbruck, Austria. RP Wagner, NL (reprint author), NOAA, Earth Syst Res Lab, 325 Broadway, Boulder, CO 80305 USA. EM nick.wagner@noaa.gov RI Murphy, Daniel/J-4357-2012; Perring, Anne/G-4597-2013; Jimenez, Jose/A-5294-2008; Warneke, Carsten/E-7174-2010; schwarz, joshua/G-4556-2013 OI Murphy, Daniel/0000-0002-8091-7235; Perring, Anne/0000-0003-2231-7503; Jimenez, Jose/0000-0001-6203-1847; schwarz, joshua/0000-0002-9123-2223 NR 1 TC 1 Z9 1 U1 1 U2 13 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 14 BP 8455 EP 8455 DI 10.5194/acp-15-8455-2015 PG 1 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CN9VS UT WOS:000358799000038 ER PT S AU Baramsai, B Becvar, F Bredeweg, TA Haight, RC Jandel, M Kroll, J Krticka, M Mitchell, GE O'Donnell, JM Rundberg, RS Ullmann, JL Valenta, S Wilhelmy, JB AF Baramsai, B. Becvar, F. Bredeweg, T. A. Haight, R. C. Jandel, M. Kroll, J. Krticka, M. Mitchell, G. E. O'Donnell, J. M. Rundberg, R. S. Ullmann, J. L. Valenta, S. Wilhelmy, J. B. BE Schwengner, R Zuber, K TI Scissors Mode of Dy-162 Studied from Resonance Neutron Capture SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID EXCITATION MODE; GAMMA-CASCADES; DANCE ARRAY; SCATTERING; NUCLEI; GD-156 AB Multi-step cascade gamma-ray spectra from the neutron capture at isolated resonances of Dy-161 nucleus were measured at the LANSCE/DANCE time-of-flight facility in Los Alamos National Laboratory. The objectives of this experiment were to confirm and possibly extend the spin assignment of s-wave neutron resonances and get new information on photon strength functions with emphasis on the role of the M1 scissors mode vibration. The preliminary results show that the scissors mode plays a significant role in all transitions between accessible states of the studied nucleus. The photon strength functions describing well oar data arc compared to results from He-3-induced reactions, (n,gamma) experiments on Gd isotopes, and (gamma,gamma') reactions. C1 [Baramsai, B.; Bredeweg, T. A.; Haight, R. C.; Jandel, M.; O'Donnell, J. M.; Rundberg, R. S.; Ullmann, J. L.; Wilhelmy, J. B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Becvar, F.; Kroll, J.; Krticka, M.; Valenta, S.] Charles Univ Prague, CZ-18000 Prague 8, Czech Republic. [Kroll, J.; Mitchell, G. E.] N Carolina State Univ, Raleigh, NC 27695 USA. [Mitchell, G. E.] Triangle Univ Nucl Lab, Durham, NC 27708 USA. RP Baramsai, B (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM valenta@ipnp.troja.mff.cuni.cz NR 25 TC 1 Z9 1 U1 2 U2 6 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 01037 DI 10.1051/epjconf/20159301037 PG 3 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500037 ER PT S AU Bucher, B Fang, X Tang, XD Tan, WP Almaraz-Calderon, S Alongi, A Ayangeakaa, AD Beard, M Best, A Browne, J Cahillane, C Couder, M Dahlstrom, E Davies, P deBoer, R Kontos, A Lamm, L Long, A Lu, W Lyons, S Ma, C Moncion, A Notani, M Patel, D Paul, N Pignatari, M Roberts, A Robertson, D Smith, K Stech, E Talwar, R Thomas, S Wiescher, M AF Bucher, B. Fang, X. Tang, X. D. Tan, W. P. Almaraz-Calderon, S. Alongi, A. Ayangeakaa, A. D. Beard, M. Best, A. Browne, J. Cahillane, C. Couder, M. Dahlstrom, E. Davies, P. deBoer, R. Kontos, A. Lamm, L. Long, A. Lu, W. Lyons, S. Ma, C. Moncion, A. Notani, M. Patel, D. Paul, N. Pignatari, M. Roberts, A. Robertson, D. Smith, K. Stech, E. Talwar, R. Thomas, S. Wiescher, M. BE Schwengner, R Zuber, K TI Constraining the C-12+C-12 fusion cross section for astrophysics SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID MASSIVE STARS; ELASTIC-SCATTERING; ENERGIES; CARBON; C-12; NUCLEOSYNTHESIS; RESONANCES; FE-60; AL-26 AB The C-12+C-12 reaction is one of the single most important nuclear reactions in astrophysics. It strongly influences late evolution of massive stars as well as the dynamics of type Ia supernovae and x-ray superbursts. An accurate estimation of the cross section at relevant astrophysical energies is extremely important for modeling these systems. However, the situation is complicated by the unpredictable resonance structure observed at higher energies. Two recent studies at Notre Dame have produced results which help reduce the uncertainty associated with this reaction. The first uses correlations with the isotope fusion systems, C-12+C-13 and C-13+C-13, to establish an upper limit on the resonance strengths in C-12+C-12. The other focuses on the specific channel C-12+C-12 -> Mg-23+n and its low-energy measurement and extrapolation which is relevant to s-process nucleosynthesis. The results from each provide important constraints for astrophysical models. C1 [Bucher, B.; Fang, X.; Tang, X. D.; Tan, W. P.; Almaraz-Calderon, S.; Alongi, A.; Ayangeakaa, A. D.; Beard, M.; Best, A.; Browne, J.; Cahillane, C.; Couder, M.; Dahlstrom, E.; Davies, P.; deBoer, R.; Kontos, A.; Lamm, L.; Long, A.; Lu, W.; Lyons, S.; Ma, C.; Moncion, A.; Notani, M.; Patel, D.; Paul, N.; Roberts, A.; Robertson, D.; Smith, K.; Stech, E.; Talwar, R.; Thomas, S.; Wiescher, M.] Notre Dame Univ, Nucl Sci Lab, Notre Dame, IN 46566 USA. [Bucher, B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Tang, X. D.] Chinese Acad Sci, Inst Modern Phys, Lanzhou, Peoples R China. [Pignatari, M.] Univ Basel, Dept Phys, CH-4056 Basel, Switzerland. RP Bucher, B (reprint author), Notre Dame Univ, Nucl Sci Lab, Notre Dame, IN 46566 USA. EM bucher3@llnl.gov RI Tang, Xiaodong /F-4891-2016; Couder, Manoel/B-1439-2009; Tan, Wanpeng/A-4687-2008; OI Couder, Manoel/0000-0002-0636-744X; Tan, Wanpeng/0000-0002-5930-1823; Ayangeakaa, Akaa D./0000-0003-1679-3175 NR 27 TC 0 Z9 0 U1 0 U2 9 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 03009 DI 10.1051/epjconf/20159303009 PG 5 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500086 ER PT S AU Couture, A Mosby, S Baramsai, B Bredeweg, TA Jandel, M Macon, K O'Donnell, JM Rusev, G Taddeucci, TN Ullmann, JL Walker, CL AF Couture, A. Mosby, S. Baramsai, B. Bredeweg, T. A. Jandel, M. Macon, K. O'Donnell, J. M. Rusev, G. Taddeucci, T. N. Ullmann, J. L. Walker, C. L. BE Schwengner, R Zuber, K TI Enhancing the Detector for Advanced Neutron Capture Experiments SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID DANCE AB The Detector for Advanced Neutron Capture Experiments (DANCE) has been used for extensive studies of neutron capture, gamma decay, photon strength functions, and prompt and delayed fission-gamma emission. Despite these successes, the potential measurements have been limited by the data acquisition hardware. We report on a major upgrade of the DANCE data acquisition that simultaneously enables strait-forward coupling to auxiliary detectors, including high-resolution high-purity germanium detectors and neutron tagging array. The upgrade will enhance the time domain accessible for time-of-flight neutron measurements as well as improve the resolution in the DANCE barium fluoride crystals for photons. C1 [Couture, A.; Mosby, S.; Baramsai, B.; Bredeweg, T. A.; Jandel, M.; O'Donnell, J. M.; Rusev, G.; Taddeucci, T. N.; Ullmann, J. L.; Walker, C. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Macon, K.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. RP Couture, A (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM acouture@lanl.gov OI Rusev, Gencho/0000-0001-7563-1518 NR 16 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 07003 DI 10.1051/epjconf/20159307003 PG 3 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500106 ER PT S AU Crider, BP Peters, EE Ross, TJ McEllistrem, MT Prados-Estevez, FM Allmond, JM Vanhoy, JR Yates, SW AF Crider, B. P. Peters, E. E. Ross, T. J. McEllistrem, M. T. Prados-Estevez, F. M. Allmond, J. M. Vanhoy, J. R. Yates, S. W. BE Schwengner, R Zuber, K TI Inelastic neutron scattering studies of Ge-76 and Se-76: relevance to neutrinoless double-beta decay SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID ATOMIC-NUCLEI AB Inelastic neutron scattering measurements were performed at the University of Kentucky Accelerator Laboratory on enriched Ge-76 and Se-76 scattering samples. From measurements at incident neutron energies from 2.0 to 4.0 MeV, many new levels were identified and characterized in each nucleus; level lifetimes, transition probabilities, multipole mixing ratios, and other properties were determined. In addition, gamma-ray cross sections for the Ge-76(n,n'gamma) reaction were measured at neutron energies up to 5.0 MeV, with the goal of determining the cross sections of gamma rays in 2040-keV region, which corresponds to the region of interest in the neutrinoless double beta decay of Ge-76. Gamma rays from the three strongest branches from the 3952-keV level were observed, but the previously reported 2041-keV gamma ray was not. Population cross sections across the range of incident neutron energies were determined for the 3952-keV level, resulting in a cross section of similar to 0.1 mb for the 2041-keV branch using the previously determined branching ratios. Beyond this, the data from these experiments indicate that previously unreported gamma rays from levels in Ge-76 can be found in the 2039-keV region. C1 [Crider, B. P.; Ross, T. J.; McEllistrem, M. T.; Prados-Estevez, F. M.; Vanhoy, J. R.; Yates, S. W.] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. [Peters, E. E.; Ross, T. J.; Prados-Estevez, F. M.; Vanhoy, J. R.; Yates, S. W.] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA. [Allmond, J. M.] Oak Ridge Natl Lab, Joint Inst Nucl Phys & Applicat, Oak Ridge, TN 37831 USA. [Vanhoy, J. R.] US Naval Acad, Dept Phys, Annapolis, MD 21402 USA. RP Yates, SW (reprint author), Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. EM yates@uky.edu NR 25 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 05001 DI 10.1051/epjconf/20159305001 PG 5 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500096 ER PT S AU Delaune, O Blanc, A Burke, JT Casperson, R Huu-Tai, PC McCleskey, E McCleskey, M Meot, V Roig, O Saastamoinen, A AF Delaune, O. Blanc, A. Burke, J. T. Casperson, R. Huu-Tai, P. Chau McCleskey, E. McCleskey, M. Meot, V. Roig, O. Saastamoinen, A. BE Schwengner, R Zuber, K TI Measurement of the gamma emission probability of Yb-173 using surrogate reactions SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID FISSION CROSS-SECTIONS AB We performed the Yb-174(p,d) reaction in order to measure the gamma-emission probability of Yb-173. The identification of the ejectiles allowing us to tag the production of Yb-173 nuclei was performed using the STARLiTeR detector system. Unusually, the "statistical" y-rays were used to determined the gammaemission probability and a spin distribution was extracted from it. A comparison with the spin distribution from the Yb-174(He-3,alpha) reaction shows that the transferred angular momentum is similar in both reactions. C1 [Delaune, O.; Blanc, A.; Huu-Tai, P. Chau; Meot, V.; Roig, O.] CEA, DAM, DIF, F-91297 Arpajon, France. [Burke, J. T.; Casperson, R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [McCleskey, E.; McCleskey, M.; Saastamoinen, A.] Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. RP Delaune, O (reprint author), CEA, DAM, DIF, F-91297 Arpajon, France. EM olivier.delaune@cea.fr NR 13 TC 0 Z9 0 U1 2 U2 8 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 02010 DI 10.1051/epjconf/20159302010 PG 3 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500065 ER PT S AU Dimitriou, P Firestone, RB Siem, S Becvar, F Krticka, M Varlamov, VV Wiedeking, M AF Dimitriou, Paraskevi Firestone, Richard B. Siem, Sunniva Becvar, Frantisek Krticka, Milan Varlamov, Vladimir V. Wiedeking, Mathis BE Schwengner, R Zuber, K TI Updated Photonuclear Data Library and Database for Photon Strength Functions SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY AB Photonuclear cross sections and gamma-ray data used to extract Photon Strength Functions are important for a large range of applications including basic sciences. The recommendations of an IAEA Consultant's Meeting to update the IAEA Photonuclear Data Library and create a Reference Database for Photon Strength Functions are presented. C1 [Dimitriou, Paraskevi] IAEA, Nucl Data Sect, A-1400 Vienna, Austria. [Firestone, Richard B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Siem, Sunniva] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Becvar, Frantisek; Krticka, Milan] Charles Univ Prague, CR-18000 Prague, Czech Republic. [Varlamov, Vladimir V.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, CDFE, Moscow 119991, Russia. [Wiedeking, Mathis] iThemba LABS, ZA-7129 Somerset West, South Africa. RP Dimitriou, P (reprint author), IAEA, Nucl Data Sect, A-1400 Vienna, Austria. EM P.Dimitriou@iaea.org RI Varlamov, Vladimir/D-7137-2012 NR 9 TC 0 Z9 0 U1 1 U2 7 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 06004 DI 10.1051/epjconf/20159306004 PG 3 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500102 ER PT S AU Firestone, RB AF Firestone, R. B. BE Schwengner, R Zuber, K TI Failure of the Gross Theory of Beta Decay in Neutron Deficient Nuclei SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID SEPARATOR AB The neutron deficient isotopes Xe117-121, Cs117-124, and Ba122-124 were produced by a beam of Si-28 from the LBNL SuperHILAC on a target of Mo-nat. The isotopes were mass separated and their beta decay schemes were measured with a Total Absorption Spectrometer (TAS). The beta strengths derived from these data decreased dramatically to levels above approximate to 1 MeV for the even-even decays; 3-4 MeV for even-Z, odd-N decays; 4-5 MeV for the odd-Z, even-N decays; and 7-8 MeV for the odd-Z, odd-N decays. The decreasing strength to higher excitation energies in the daughters contradicts the predictions of the Gross Theory of Beta Decay. The integrated beta strengths are instead found to be consistent with shell model predictions where the single-particle beta strengths are divided amoung many low-lying levels. The experimental beta strengths determined here have been used calculate the half-lives of 143 neutron deficient nuclei with Z=51-64 to a precision of 20% with respect to the measured values. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Firestone, RB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rbfirestone@lbl.gov NR 16 TC 0 Z9 0 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 01023 DI 10.1051/epjconf/20159301023 PG 3 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500023 ER PT S AU Giacoppo, F Garrote, FLB Eriksen, TK Gorgen, A Guttormsen, M Hagen, TW Larsen, AC Kheswa, BV Klintefjord, M Koehler, PE Moretto, LG Nyhus, HT Renstrom, T Sahin, E Siem, S Tornyi, TG AF Giacoppo, F. Garrote, F. L. Bello Eriksen, T. K. Goergen, A. Guttormsen, M. Hagen, T. W. Larsen, A. C. Kheswa, B. V. Klintefjord, M. Koehler, P. E. Moretto, L. G. Nyhus, H. T. Renstrom, T. Sahin, E. Siem, S. Tornyi, T. G. BE Schwengner, R Zuber, K TI Observation of low-lying resonances in the quasicontinuum of Pt-195,Pt-196 and enhanced astrophysical reaction rates SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID GAMMA-RAY SPECTRA; STRENGTH FUNCTION; DIPOLE RESONANCE; LEVEL DENSITY; R-PROCESS; NUCLEI; NUCLEOSYNTHESIS; PT-196; MODEL AB An excess of strength on the low-energy tail of the giant dipole resonance recently has been observed in the gamma-decay from the quasicontinuum of Pt-195,Pt-196. The nature of this phenomenon is not yet fully investigated. If this feature is present also in the gamma-ray strength of the neutron-rich isotopes, it can affect the neutron-capture reactions involved in the formation of heavy-elements in stellar nucleosynthesis. The experimental level density and gamma-ray strength function of Pt-195,Pt-196 are presented together with preliminary calculations of the corresponding neutron-capture cross sections. C1 [Giacoppo, F.; Garrote, F. L. Bello; Eriksen, T. K.; Goergen, A.; Guttormsen, M.; Hagen, T. W.; Larsen, A. C.; Kheswa, B. V.; Klintefjord, M.; Nyhus, H. T.; Renstrom, T.; Sahin, E.; Siem, S.; Tornyi, T. G.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Kheswa, B. V.] Univ Stellenbosch, Dept Phys, ZA-7602 Stellenbosch, South Africa. [Koehler, P. E.] Air Force Tech Applicat Ctr, Patrick AFB, FL USA. [Moretto, L. G.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Tornyi, T. G.] Hungarian Acad Sci, Inst Nucl Res, H-4001 Debrecen, Hungary. RP Giacoppo, F (reprint author), Univ Oslo, Dept Phys, POB 1048, N-0316 Oslo, Norway. EM francesca.giacoppo@fys.uio.no RI Larsen, Ann-Cecilie/C-8742-2014; OI Larsen, Ann-Cecilie/0000-0002-2188-3709; Gorgen, Andreas/0000-0003-1916-9941 NR 31 TC 1 Z9 1 U1 1 U2 9 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 01039 DI 10.1051/epjconf/20159301039 PG 5 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500039 ER PT S AU Isaak, J Loher, B Savran, D Aumann, T Beller, J Cooper, N Derya, V Duchene, M Endres, J Fiori, E Kelley, JH Knorzer, M Pietralla, N Ponomarev, VY Romig, C Scheck, M Scheit, H Silva, J Tonchev, AP Tornow, W Weller, HR Werner, V Zilges, A Zweidinger, M AF Isaak, J. Loeher, B. Savran, D. Aumann, T. Beller, J. Cooper, N. Derya, V. Duchene, M. Endres, J. Fiori, E. Kelley, J. H. Knoerzer, M. Pietralla, N. Ponomarev, V. Yu. Romig, C. Scheck, M. Scheit, H. Silva, J. Tonchev, A. P. Tornow, W. Weller, H. R. Werner, V. Zilges, A. Zweidinger, M. BE Schwengner, R Zuber, K TI Decay pattern of the Pygmy Dipole Resonance in Ce-140 SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID HI-GAMMA-S; STRENGTH AB The decay behavior of low-lying dipole states in Ce-140 was investigated exploiting the gamma(3)-setup at the HI gamma S facility using quasi-monochromatic photon beams. Branching ratios of individual excited states as well as average branching ratios to low-lying states have been extracted using gamma-gamma coincidence measurements. The comparison of the average branching ratios to QPM calculations shows a remarkable agreement between experiment and theory in the energy range from 5.0 to 8.5 MeV. C1 [Isaak, J.; Loeher, B.; Savran, D.; Fiori, E.; Silva, J.] GSI Helmholtzzentrum Schwerionenforsch, ExtreMe Matter Inst EMMI, Darmstadt, Germany. [Isaak, J.; Loeher, B.; Savran, D.; Fiori, E.; Silva, J.] GSI Helmholtzzentrum Schwerionenforsch, Div Res, Darmstadt, Germany. [Isaak, J.; Loeher, B.; Savran, D.; Fiori, E.; Silva, J.] Frankfurt Inst Adv Studies, Frankfurt, Germany. [Aumann, T.; Beller, J.; Duchene, M.; Knoerzer, M.; Pietralla, N.; Ponomarev, V. Yu.; Romig, C.; Scheit, H.; Werner, V.; Zweidinger, M.] Tech Univ Darmstadt, Inst Kernphys, Darmstadt, Germany. [Aumann, T.] GSI Helmholtzzentrum Schwerionenforsch, Darmstadt, Germany. [Cooper, N.; Werner, V.] Yale Univ, WNSL, New Haven, CT USA. [Derya, V.; Endres, J.; Zilges, A.] Univ Cologne, Inst Kernphys, Cologne, Germany. [Kelley, J. H.; Tornow, W.; Weller, H. R.] Duke Univ, Dept Phys, Triangle Univ Nucl Lab, Durham, NC 27706 USA. [Kelley, J. H.] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [Scheck, M.] Univ West Scotland, Sch Engn, Paisley, Renfrew, Scotland. [Scheck, M.] Scottish Univ Phys Alliance, Glasgow, Lanark, Scotland. [Tonchev, A. P.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA USA. RP Isaak, J (reprint author), GSI Helmholtzzentrum Schwerionenforsch, ExtreMe Matter Inst EMMI, Darmstadt, Germany. EM j.isaak@gsi.de NR 22 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 01048 DI 10.1051/epjconf/20159301048 PG 2 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500048 ER PT S AU Jandel, M Baramsai, B Bredeweg, TA Couture, A Hayes, A Kawano, T Mosby, S Rusev, G Stetcu, I Taddeucci, TN Talou, P Ullmann, JL Walker, CL Wilhelmy, JB AF Jandel, M. Baramsai, B. Bredeweg, T. A. Couture, A. Hayes, A. Kawano, T. Mosby, S. Rusev, G. Stetcu, I. Taddeucci, T. N. Talou, P. Ullmann, J. L. Walker, C. L. Wilhelmy, J. B. BE Schwengner, R Zuber, K TI Current and Future Research at DANCE SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY AB An overview of the current experimental program on measurements of neutron capture and neutron induced fission at the Detector for Advanced Neutron Capture Experiments (DANCE) is presented. Three major projects are currently under way: 1) high precision measurements of neutron capture cross sections on Uranium isotopes, 2) research aimed at studies of the short-lived actinide isomer production in neutron capture on 235U and 3) measurements of correlated data of fission observables. New projects include developments of auxiliary detectors to improve the capability of DANCE. We are building a compact, segmented NEUtron detector Array at DANCE (NEUANCE), which will be installed in the central cavity of the DANCE array. It will provide experimental information on prompt fission neutrons in coincidence with the prompt fission gamma-rays measured by 160 BaF2 crystals of DANCE. Unique correlated data will be obtained for neutron capture and neutron-induced fission using the DANCE-NEUANCE experimental set up in the future. C1 [Jandel, M.; Baramsai, B.; Bredeweg, T. A.; Couture, A.; Hayes, A.; Kawano, T.; Mosby, S.; Rusev, G.; Stetcu, I.; Taddeucci, T. N.; Talou, P.; Ullmann, J. L.; Walker, C. L.; Wilhelmy, J. B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jandel, M (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM mjandel@lanl.gov OI Rusev, Gencho/0000-0001-7563-1518 NR 20 TC 1 Z9 1 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 02019 DI 10.1051/epjconf/20159302019 PG 5 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500074 ER PT S AU Koehler, PE Becvar, F Krticka, M AF Koehler, P. E. Becvar, F. Krticka, M. BE Schwengner, R Zuber, K TI Distribution of total radiation widths for neutron resonances of Pt isotopes SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY AB High quality neutron capture and transmission data were measured on isotopically enriched Pt-192,Pt-194,Pt-195,Pt-196 and natural Pt samples at ORELA. R-matrix analysis of this data revealed resonance parameters for 159, 413, 423, 258, and 11 neutron resonances for neutron energies below 5.0, 16.0, 7.5, 16.0, and 5.0 keV for Pt-192,Pt-194,Pt-195,Pt-196,Pt-198+ n, respectively. Earlier analysis of data on reduced neutron widths, Gamma(0)(n), showed that the distributions of Gamma(0)(n) for Pt-192,Pt-194 deviate significantly from the Porter-Thomas distribution (PTD) predicted by random matrix theory. In this contribution we report on preliminary results of the analysis of distribution of total radiation widths, Gamma(gamma) in Pt-192,Pt-194,Pt-195,Pt-196+n reactions. Comparison of experimental data with predictions made within the nuclear statistical model indicates that standard models of Photon Strength Functions (PSFs) and Nuclear Level Density predict Gamma(gamma) distributions which are too narrow. We found that satisfactory agreement between experimental and simulated distributions can be obtained only by a strong suppression of the PSFs at low gamma-ray energies and/or by violation of the usual assumption that primary transitions from neutron resonances follow the PTD. The shape of PSFs needed for reproduction of our Gamma(gamma) data also nicely reproduces spectra from several (n,gamma) experiments on the neighbor nuclide Au-198. C1 [Koehler, P. E.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Koehler, P. E.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Becvar, F.; Krticka, M.] Charles Univ Prague, CR-18000 Prague 8, Czech Republic. RP Koehler, PE (reprint author), Air Force Tech Applicat Ctr, Patrick AFB, FL 32925 USA. EM paul.koehler.1@us.af.mil OI Koehler, Paul/0000-0002-6717-0771 NR 9 TC 0 Z9 0 U1 0 U2 5 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 01049 DI 10.1051/epjconf/20159301049 PG 2 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500049 ER PT S AU Merchan, E Moran, K Lister, CJ Chowdhury, P McCutchan, EA Greene, JP Zhu, S Lauritsen, T Carpenter, MP Shearman, R AF Merchan, E. Moran, K. Lister, C. J. Chowdhury, P. McCutchan, E. A. Greene, J. P. Zhu, S. Lauritsen, T. Carpenter, M. P. Shearman, R. BE Schwengner, R Zuber, K TI Ba-137 Double Gamma Decay Measurement with GAMMASPHERE SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY AB The study of the electromagnetic moments (EM), and decay probability, provides detailed information about nuclear wave functions. The well-know properties of EM interactions are good for extracting information about the motion of nucleons. Higher order EM processes always occur, but are usually too weak to be measured. In the case of a 0(+) -> 0(+) transitions [1, 2], where a single gamma transition is forbidden, the simultaneous emission of two gamma-rays has been studied. An interesting opportunity to further investigate 2-photon emission phenomena is by using a standard Cs-137 source populating, via beta-decay, the J(pi) = 11/2(-) isomeric state at 662 keV in Ba-137. In this case, two photon process can have contributions from quadrupole-quadrupole or dipole-octupole multipolarities in direct competition with the high multipolarity M4 decay. Since the yield of the double gamma decay is around six orders of magnitude less than the first order transition, very good statistics are needed in order to observe the phenomena and great care must be taken to suppress the first-order decay. The Gammasphere array is ideal since its configuration allows a good coverage of the angular distribution and the Compton events can be suppressed. Nevertheless the process to understand and eliminate the Compton background is a challenge. Geant4 simulations were carried out to help understand and correct for those factors. C1 [Merchan, E.; Moran, K.; Lister, C. J.; Chowdhury, P.; Shearman, R.] Univ Massachusetts Lowell, Dept Phys, Lowell, MA 01854 USA. [McCutchan, E. A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. [Greene, J. P.; Zhu, S.; Lauritsen, T.; Carpenter, M. P.] Argonne Natl Lab, Div Phys, Lemont, IL 60473 USA. [Shearman, R.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. RP Merchan, E (reprint author), Univ Massachusetts Lowell, Dept Phys, Lowell, MA 01854 USA. EM edanakarina_merchanrodriguez@uml.edu RI Carpenter, Michael/E-4287-2015 OI Carpenter, Michael/0000-0002-3237-5734 NR 7 TC 0 Z9 0 U1 0 U2 2 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 01033 DI 10.1051/epjconf/20159301033 PG 4 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500033 ER PT S AU Ota, S Burke, JT Casperson, RJ Escher, JE Hughes, RO Ressler, JJ Scielzo, ND Thompson, I Austin, RAE McCleskey, E McCleskey, M Saastamoinen, A Ross, T AF Ota, Shuya Burke, J. T. Casperson, R. J. Escher, J. E. Hughes, R. O. Ressler, J. J. Scielzo, N. D. Thompson, I. Austin, R. A. E. McCleskey, E. McCleskey, M. Saastamoinen, A. Ross, T. BE Schwengner, R Zuber, K TI Y-87(n,gamma) and (89'9)0Zr(n,gamma) cross sections from a surrogate reaction approach SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID FISSION; NUCLEI AB The surrogate reaction approach is an indirect method for determining nuclear reaction cross sections which cannot be measured directly or predicted reliably. While recent studies demonstrated the validity of the surrogate reaction approach for studying fission cross sections for short-lived actinides, its applicability for radiative neutron capture reactions ((n,y)) is still under investigation. We studied the y decay of excited Y-88 and (90'9)1Zr nuclei produced by Y-89(p,d), Zr-91(p,d), and Zr-92(p,d) reactions, respectively, in order to infer the 87Y(n,y) and (89)' Zr-90(n,y) cross sections. The experiments were carried out at the K150 Cyclotron facility at Texas A&M University with a 28.5-MeV proton beam. The reaction deuterons were measured at forward angles of 25-60 with the array of three segmented Micron S2 silicon detectors. The compound nuclei with energies up to a few MeV above the neutron separation thresholds were populated. The coincident y-rays were measured with the array of five Compton-suppressed HPGe clover detectors. C1 [Ota, Shuya; Burke, J. T.; Casperson, R. J.; Escher, J. E.; Hughes, R. O.; Ressler, J. J.; Scielzo, N. D.; Thompson, I.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Austin, R. A. E.] St Marys Univ, Halifax, NS B3H 3C3, Canada. [McCleskey, E.; McCleskey, M.; Saastamoinen, A.] Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. [Ross, T.] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA. RP Ota, S (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM ota2@llnl.gov NR 20 TC 3 Z9 3 U1 0 U2 7 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 02001 DI 10.1051/epjconf/20159302001 PG 5 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500056 ER PT S AU Pietralla, N Moller, T Lister, CJ McCutchan, EA Rainovski, G Bauer, C Carpenter, MP Janssens, RVF Seweryniak, D Zhu, S AF Pietralla, N. Moeller, T. Lister, C. J. McCutchan, E. A. Rainovski, G. Bauer, C. Carpenter, M. P. Janssens, R. V. F. Seweryniak, D. Zhu, S. BE Schwengner, R Zuber, K TI New Information on the Occurrence of the O(6) Symmetry in Nuclei SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID PT-196; REGION AB New gamma gamma-coincidence relations and E2 decay transition rates in the isotopes Pt-194,Pt-196 have been deduced from gamma-ray spectroscopy experiments using the Gammasphere spectrometer in projectile-Coulomb excitation reactions of beams of Pt-194,Pt-196 ions provided by the ATLAS accelerator facility. The results give access to observables that are crucial for a classification of excited quadrupole-collective states in terms of quantum numbers associated with the analytically solvable O(6) dynamical symmetry of the interacting boson model. The data on Pt-196 corroborate the qualitative pattern of excitation energies and E2 transition rates expected from the O(6) solution but the excitation energies significantly deviate from it on a quantitative level. C1 [Pietralla, N.; Moeller, T.; Bauer, C.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Lister, C. J.; McCutchan, E. A.; Carpenter, M. P.; Janssens, R. V. F.; Seweryniak, D.; Zhu, S.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Lister, C. J.] Univ Massachusetts Lowell, Dept Phys & Appl Phys, Lowell, MA 01854 USA. [McCutchan, E. A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. [Rainovski, G.] Sofia Univ St Kliment Ohridski, Fac Phys, Sofia 1164, Bulgaria. RP Pietralla, N (reprint author), Tech Univ Darmstadt, Inst Kernphys, Schlossgartenstr 9, D-64289 Darmstadt, Germany. EM pietralla@ikp.tu-darmstadt.de RI Carpenter, Michael/E-4287-2015; Rainovski, Georgi/A-3450-2008 OI Carpenter, Michael/0000-0002-3237-5734; Rainovski, Georgi/0000-0002-1729-0249 NR 8 TC 0 Z9 0 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 01002 DI 10.1051/epjconf/20159301002 PG 3 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500002 ER PT S AU Ratkiewicz, A Cizewski, JA Pain, SD Adekola, AS Burke, JT Casperson, RJ Fotiades, N McCleskey, M Burcher, S Shand, CM Austin, RAE Baugher, T Carpenter, MP Devlin, M Escher, JE Hardy, S Hatarik, R Howard, ME Hughes, RO Jones, KL Kozub, RL Lister, CJ Manning, B Donnell, JMO Peters, WA Ross, TJ Scielzo, ND Seweryniak, D Zhu, S AF Ratkiewicz, A. Cizewski, J. A. Pain, S. D. Adekola, A. S. Burke, J. T. Casperson, R. J. Fotiades, N. McCleskey, M. Burcher, S. Shand, C. M. Austin, R. A. E. Baugher, T. Carpenter, M. P. Devlin, M. Escher, J. E. Hardy, S. Hatarik, R. Howard, M. E. Hughes, R. O. Jones, K. L. Kozub, R. L. Lister, C. J. Manning, B. Donnell, J. M. O. Peters, W. A. Ross, T. J. Scielzo, N. D. Seweryniak, D. Zhu, S. BE Schwengner, R Zuber, K TI Validating (d,p gamma) as a Surrogate for Neutron Capture SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID CROSS-SECTIONS; GAMMASPHERE AB The r-process is responsible for creating roughly half of the elements heavier than iron. It has recently become understood that the rates at which neutron capture reactions proceed at late times in the rprocess may dramatically affect the final abundance pattern. However, direct measurements of neutron capture reaction rates on exotic nuclei are exceptionally difficult, necessitating the development of indirect approaches such as the surrogate technique. The (d,py) reaction at low energies was identified as a promising surrogate for the (n,y) reaction, as both reactions share many characteristics. We report on a program to validate (d,py) as a surrogate for (n,y) using 95Mo as a target. The experimental campaign includes direct measurements of the y-ray intensities from the decay of excited states populated in the 95Mo(n,y) and 95Mo(d,py) reactions. C1 [Ratkiewicz, A.; Cizewski, J. A.; Adekola, A. S.; Burcher, S.; Shand, C. M.; Baugher, T.; Hardy, S.; Howard, M. E.; Manning, B.] Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA. [Pain, S. D.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Burke, J. T.; Casperson, R. J.; Escher, J. E.; Hatarik, R.; Scielzo, N. D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Fotiades, N.; Devlin, M.; Donnell, J. M. O.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [McCleskey, M.] Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. [Shand, C. M.; Hardy, S.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Austin, R. A. E.] St Marys Univ, Dept Phys & Astron, Halifax, NS BH3 3C3, Canada. [Carpenter, M. P.; Seweryniak, D.; Zhu, S.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Hughes, R. O.; Ross, T. J.] Univ Richmond, Dept Phys, Richmond, VA 23173 USA. [Jones, K. L.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Kozub, R. L.] Tennessee Technol Univ, Dept Phys, Cookeville, TN 38505 USA. [Lister, C. J.] Univ Massachusetts Lowell, Dept Phys & Appl Phys, Lowell, MA 01854 USA. [Peters, W. A.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. RP Ratkiewicz, A (reprint author), Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA. EM a.ratkiewicz@rutgers.edu RI Carpenter, Michael/E-4287-2015; Jones, Katherine/B-8487-2011; Pain, Steven/E-1188-2011; Peters, William/B-3214-2012; Devlin, Matthew/B-5089-2013; OI Carpenter, Michael/0000-0002-3237-5734; Jones, Katherine/0000-0001-7335-1379; Pain, Steven/0000-0003-3081-688X; Peters, William/0000-0002-3022-4924; Devlin, Matthew/0000-0002-6948-2154; Fotiadis, Nikolaos/0000-0003-1410-3871 NR 19 TC 2 Z9 2 U1 0 U2 8 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 02012 DI 10.1051/epjconf/20159302012 PG 5 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500067 ER PT S AU Renstrom, T Nyhus, HT Utsunomiya, H Larsen, AC Siem, S Guttormsen, M Filipescu, DM Gheorghe, I Goriely, S Bernstein, LA Bleuel, DL Glodariu, T Gorgen, A Hagen, TW Lui, YW Negi, D Ruud, IE Sahin, E Schwengner, R Shima, T Takahisa, K Tesileanu, O Tornyi, TG Tveten, GM Wiedeking, M AF Renstrom, T. Nyhus, H. -T. Utsunomiya, H. Larsen, A. C. Siem, S. Guttormsen, M. Filipescu, D. M. Gheorghe, I. Goriely, S. Bernstein, L. A. Bleuel, D. L. Glodariu, T. Goergen, A. Hagen, T. W. Lui, Y. -W. Negi, D. Ruud, I. E. Sahin, E. Schwengner, R. Shima, T. Takahisa, K. Tesileanu, O. Tornyi, T. G. Tveten, G. M. Wiedeking, M. BE Schwengner, R Zuber, K TI First evidence of low energy enhancement in Ge isotopes SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID GIANT DIPOLE RESONANCE; MONOENERGETIC PHOTONS; STRENGTH FUNCTION; GAMMA; GENERATION; SPECTRA; NUCLEI AB The gamma-strength functions and level densities of Ge-73,Ge-74 have been extracted from particle-gamma coincidence data using the Oslo method. In addition the gamma-strength function of Ge-74 above the neutron separation threshold, S-n = 10.196 MeV has been extracted from photoneutron measurements. When combined, these two experiments give a gamma-strength function covering the energy range of similar to 1-13 MeV for Ge-74. This thorough investigation of Ge-74 is a part of an international campaign to study the previously reported low energy enhancement in this mass region in the gamma-strength function from similar to 3 MeV towards lower gamma energies. The obtained data show that both Ge-73,Ge-74 display an increase in strength at low gamma energies. C1 [Renstrom, T.; Nyhus, H. -T.; Larsen, A. C.; Siem, S.; Guttormsen, M.; Goergen, A.; Hagen, T. W.; Ruud, I. E.; Sahin, E.; Tveten, G. M.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Utsunomiya, H.] Konan Univ, Dept Phys, Kobe, Hyogo 6588501, Japan. [Filipescu, D. M.; Gheorghe, I.; Tesileanu, O.] Extreme Light Infrastruct Nucl Phys, Bucharest, Romania. [Filipescu, D. M.; Gheorghe, I.; Glodariu, T.] Natl Inst Phys & Nucl Engn Horia Hulubei, Bucharest, Romania. [Gheorghe, I.] Univ Bucharest, Fac Phys, Bucharest, Romania. [Goriely, S.] ULB, Inst Astron & Astrophys, Brussels, Belgium. [Bernstein, L. A.; Bleuel, D. L.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Lui, Y. -W.] Texas A&M Univ, Cyclotron Inst, College Stn, TX 77843 USA. [Negi, D.; Wiedeking, M.] iThemba LABS, ZA-7129 Somerset West, South Africa. [Schwengner, R.] Helmholtz Zentrum Dresden Rossendorf, Inst Radiat Phys, D-01328 Dresden, Germany. [Shima, T.] Osaka Univ, Res Ctr Nucl Phys, Suita, Osaka 5670047, Japan. [Tornyi, T. G.] Hungarian Acad Sci, MTA Atomki, Inst Nucl Res, Debrecen, Hungary. RP Renstrom, T (reprint author), Univ Oslo, Dept Phys, POB 1048, N-0316 Oslo, Norway. EM therese.renstrom@fys.uio.no RI Filipescu, Dan Mihai/C-3789-2011; Larsen, Ann-Cecilie/C-8742-2014; Gheorghe, Adriana - Ioana/K-3220-2012 OI Filipescu, Dan Mihai/0000-0003-3282-1594; Larsen, Ann-Cecilie/0000-0002-2188-3709; NR 36 TC 0 Z9 0 U1 1 U2 5 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 04003 DI 10.1051/epjconf/20159304003 PG 5 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500093 ER PT S AU Rusev, G Jandel, M Arnold, CW Bredeweg, TA Couture, A Mosby, SM Ullmann, JL AF Rusev, G. Jandel, M. Arnold, C. W. Bredeweg, T. A. Couture, A. Mosby, S. M. Ullmann, J. L. BE Schwengner, R Zuber, K TI Detector-Response Correction of Two-Dimensional gamma-Ray Spectra from Neutron Capture SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY AB The neutron-capture reaction produces a large variety of gamma-ray cascades with different gamma-ray multiplicities. A measured spectral distribution of these cascades for each gamma-ray multiplicity is of importance to applications and studies of gamma-ray statistical properties. The DANCE array, a 4 pi ball of 160 BaF2 detectors, is an ideal tool for measurement of neutron-capture gamma-rays. The high granularity of DANCE enables measurements of high-multiplicity gamma-ray cascades. The measured two-dimensional spectra (gamma-ray energy,gamma-ray multiplicity) have to be corrected for the DANCE detector response in order to compare them with predictions of the statistical model or use them in applications. The detector-response correction problem becomes more difficult for a 4 pi detection system than for a single detector. A trial and error approach and an iterative decomposition of gamma-ray multiplets, have been successfully applied to the detector-response correction. Applications of the decomposition methods are discussed for two-dimensional gamma-ray spectra measured at DANCE from gamma-ray sources and from the B-10(n, gamma) and Cd-113(n, gamma) reactions. C1 [Rusev, G.; Jandel, M.; Arnold, C. W.; Bredeweg, T. A.; Couture, A.; Mosby, S. M.; Ullmann, J. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Rusev, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM rusev@lanl.gov OI Rusev, Gencho/0000-0001-7563-1518 NR 7 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 07002 DI 10.1051/epjconf/20159307002 PG 5 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500105 ER PT S AU Scheck, M Gaffney, LP Butler, PA Hayes, AB Wenander, F Albers, M Bastin, B Bauer, C Blazhev, A Boenig, S Bree, N Cederkall, J Chupp, T Cline, D Cocolios, TE Davinson, T De Witte, H Diriken, J Grahn, T Herzan, A Huyse, M Jenkins, DG Joss, DT Kesteloot, N Konki, J Kowalczyk, M Kroell, T Kwan, E Lutter, R Moschner, K Napiorkowski, P Pakarinen, J Pfeiffer, M Radeck, D Reiter, P Reynders, K Rigby, SV Robledo, LM Rudigier, M Sambi, S Seidlitz, M Siebeck, B Stora, T Thoele, P Van Duppen, P Vermeulen, MJ von Schmid, M Voulot, D Warr, N Wimmer, K Wrzosek-Lipska, K Wu, CY Zielinska, M AF Scheck, M. Gaffney, L. P. Butler, P. A. Hayes, A. B. Wenander, F. Albers, M. Bastin, B. Bauer, C. Blazhev, A. Boenig, S. Bree, N. Cederkall, J. Chupp, T. Cline, D. Cocolios, T. E. Davinson, T. De Witte, H. Diriken, J. Grahn, T. Herzan, A. Huyse, M. Jenkins, D. G. Joss, D. T. Kesteloot, N. Konki, J. Kowalczyk, M. Kroell, Th. Kwan, E. Lutter, R. Moschner, K. Napiorkowski, P. Pakarinen, J. Pfeiffer, M. Radeck, D. Reiter, P. Reynders, K. Rigby, S. V. Robledo, L. M. Rudigier, M. Sambi, S. Seidlitz, M. Siebeck, B. Stora, T. Thoele, P. Van Duppen, P. Vermeulen, M. J. von Schmid, M. Voulot, D. Warr, N. Wimmer, K. Wrzosek-Lipska, K. Wu, C. Y. Zielinska, M. BE Schwengner, R Zuber, K TI Do nuclei go pear-shaped? Coulomb excitation of Rn-220 and Ra-224 at REX-ISOLDE (CERN) SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID MOMENTS AB The IS475 collaboration conducted Coulomb-excitation experiments with post-accelerated radioactive Rn-220 and Ra-224 beams at the REX-ISOLDE facility. The beam particles (E-beam: 2.83 MeV/u) were Coulomb excited using Ni-60, Cd-14, and Sn-120 scattering targets. De-excitation gamma-rays were detected employing the Miniball array and scattered particles were detected in a silicon detector. Exploiting the Coulomb-excitation code GOSIA for each nucleus several matrix elements could be obtained from the measured gamma-ray yields. The extracted < 3 parallel to E3 parallel to 0(+)> matrix element allows for the conclusion that, while Rn-220 represents an octupole vibrational system, Ra-224 has already substantial octupole correlations in its ground state. This finding has i(m)plications for the search of CP-violating Schiff moments in the atomic systems of the adjacent odd-mass nuclei. C1 [Scheck, M.] Univ West Scotland, Sch Engn, Paisley PA1 2BE, Renfrew, Scotland. [Scheck, M.] Scottish Univ Phys Alliance, Glasgow G12 8QQ, Lanark, Scotland. [Scheck, M.; Gaffney, L. P.; Butler, P. A.; Joss, D. T.; Rigby, S. V.] Univ Liverpool, Oliver Lodge Lab, Liverpool L69 7ZE, Merseyside, England. [Gaffney, L. P.; Bree, N.; De Witte, H.; Diriken, J.; Huyse, M.; Kesteloot, N.; Reynders, K.; Sambi, S.; Van Duppen, P.] Katholieke Univ Leuven, Inst voor Kern Stralingsfys, B-3001 Leuven, Belgium. [Hayes, A. B.; Cline, D.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [Wenander, F.; Cocolios, T. E.; Pakarinen, J.; Stora, T.; Voulot, D.; Zielinska, M.] CERN, ISOLDE, CH-1211 Geneva, Switzerland. [Albers, M.; Blazhev, A.; Moschner, K.; Pfeiffer, M.; Radeck, D.; Reiter, P.; Rudigier, M.; Seidlitz, M.; Siebeck, B.; Thoele, P.; Warr, N.] Univ Cologne, Inst Kernphys, D-50937 Cologne, Germany. [Bastin, B.] GANIL, F-14076 Caen, France. [Bauer, C.; Boenig, S.; Kroell, Th.; von Schmid, M.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Cederkall, J.] Lund Univ, Dept Nucl Phys, S-22100 Lund, Sweden. [Chupp, T.] Univ Michigan, Dept Phys, Ann Arbor, MI 48104 USA. [Davinson, T.] Univ Edinburgh, Sch Phys & Astron, Edinburgh EH9 3JZ, Midlothian, Scotland. [Grahn, T.; Herzan, A.; Konki, J.; Pakarinen, J.] Univ Jyvaskyla, Dept Phys, FI-40014 Jyvaskyla, Finland. [Grahn, T.; Pakarinen, J.] Helsinki Inst Phys, FI-00014 Helsinki, Finland. [Jenkins, D. G.; Vermeulen, M. J.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. [Kowalczyk, M.; Napiorkowski, P.; Wrzosek-Lipska, K.] Univ Warsaw, Heavy Ion Lab, PL-02093 Warsaw, Poland. [Kwan, E.; Wu, C. Y.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94551 USA. [Lutter, R.] Univ Munich, Maier Leibnitz Lab, D-85748 Garching, Germany. [Lutter, R.; Wimmer, K.] Tech Univ Munich, Phys Dept E12, D-85748 Garching, Germany. [Robledo, L. M.] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain. [Zielinska, M.] CEA Saclay, DSM IRFU SPhN, F-91191 Gif Sur Yvette, France. RP Scheck, M (reprint author), Univ West Scotland, Sch Engn, Paisley PA1 2BE, Renfrew, Scotland. EM marcus.scheck@uws.ac.uk RI Gaffney, Liam/G-3169-2014 OI Gaffney, Liam/0000-0002-2938-3696 NR 13 TC 0 Z9 0 U1 0 U2 5 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 01038 DI 10.1051/epjconf/20159301038 PG 4 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500038 ER PT S AU Tonchev, A Bhatia, C Kelley, J Raut, R Rusev, G Tornow, W Tsoneva, N AF Tonchev, Anton Bhatia, Chitra Kelley, John Raut, Rajarshi Rusev, Gencho Tornow, Werner Tsoneva, Nadia BE Schwengner, R Zuber, K TI Nuclear Structure Studies with Gamma-Ray Beams SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID PYGMY DIPOLE RESONANCE; N=82 NUCLEI; EXCITATIONS AB In stable and weakly bound neutron-rich nuclei, a resonance-like concentration of dipole states has been observed for excitation energies below the neutron-separation energy. This clustering of strong dipole states has been named the Pygmy Dipole Resonance (PDR) in contrast to the Giant Dipole Resonance (GDR) that dominates the E1 response. Understanding the PDR is presently of great interest in nuclear structure and nuclear astrophysics. High-sensitivity studies of E1 and M1 transitions in closed-shell nuclei using monoenergetic and 100% linearly-polarized photon beams are presented. C1 [Tonchev, Anton] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. [Rusev, Gencho] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Tornow, Werner] Duke Univ, Durham, NC 27708 USA. [Kelley, John; Tornow, Werner] Triangle Univ Nucl Lab, Durham, NC 27708 USA. [Kelley, John] N Carolina State Univ, Raleigh, NC 27695 USA. [Raut, Rajarshi] UGC DAE Consortium Sci Res, Kolkata Ctr, Kolkata, India. [Bhatia, Chitra] McMaster Univ, Hamilton, ON, Canada. [Tsoneva, Nadia] Univ Giessen, Inst Theoret Phys, Giessen, Germany. [Tsoneva, Nadia] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, BU-1784 Sofia, Bulgaria. RP Tonchev, A (reprint author), Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. EM tonchev2@llnl.gov OI Rusev, Gencho/0000-0001-7563-1518 NR 32 TC 0 Z9 0 U1 0 U2 3 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 01030 DI 10.1051/epjconf/20159301030 PG 5 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500030 ER PT S AU Ullmann, J AF Ullmann, John BE Schwengner, R Zuber, K TI Gamma-ray Output Spectra from Pu-239 Fission SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID DANCE AB Gamma-ray multiplicities, individual gamma-ray energy spectra, and total gamma energy spectra following neutron-induced fission of Pu-239 were measured using the DANCE detector at Los Alamos. Corrections for detector response were made using a forward-modeling technique based on propagating sets of gamma rays generated from a paramaterized model through a GEANT model of the DANCE array and adjusting the parameters for best fit to the measured spectra. The results for the gamma-ray spectrum and multiplicity are in general agreement with previous results, but the measured total gamma-ray energy is about 10% higher. A dependence of the gamma-ray spectrum on the gamma-ray multplicity was also observed. Global model calculations of the multiplicity and gamma energy distributions are in good agreement with the data, but predict a slightly softer total-energy distribution. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Ullmann, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM ullmann@lanl.gov NR 15 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 02016 DI 10.1051/epjconf/20159302016 PG 4 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500071 ER PT S AU Werner, V Cooper, N Goddard, PM Humby, P Ilieva, RS Rusev, G Beller, J Bernards, C Crider, BP Isaak, J Kelley, JH Kwan, E Loher, B Peters, EE Pietralla, N Romig, C Savran, D Scheck, M Tonchev, AP Tornow, W Yates, SW Zweidinger, M AF Werner, V. Cooper, N. Goddard, P. M. Humby, P. Ilieva, R. S. Rusev, G. Beller, J. Bernards, C. Crider, B. P. Isaak, J. Kelley, J. H. Kwan, E. Loeher, B. Peters, E. E. Pietralla, N. Romig, C. Savran, D. Scheck, M. Tonchev, A. P. Tornow, W. Yates, S. W. Zweidinger, M. BE Schwengner, R Zuber, K TI Dipole strength distributions from HIGS Experiments SO CGS15 - CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS) CY AUG 25-29, 2014 CL Dresden, GERMANY ID DEFORMED-NUCLEI; GAMMA-S; RESONANCE; SCATTERING; STATES; WIDTH AB A series of photon scattering experiments has been performed on the double-beta decay partners Ge-76 and Se-76, in order to investigate their dipole response up to the neutron separation threshold. Gamma-ray beams from bremsstrahlung at the S-DALINAC and from Compton-backscattering at HIGS have been used to measure absolute cross sections and parities of dipole excited states, respectively. The HIGS data allows for indirect measurement of averaged branching ratios, which leads to significant corrections in the observed excitation cross sections. Results are compared to statistical calculations, to test photon strength functions and the Axel-Brink hypothesis. C1 [Werner, V.; Beller, J.; Pietralla, N.; Romig, C.; Zweidinger, M.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Werner, V.; Cooper, N.; Goddard, P. M.; Humby, P.; Ilieva, R. S.; Bernards, C.] Yale Univ, WSNL, New Haven, CT 06520 USA. [Goddard, P. M.; Humby, P.; Ilieva, R. S.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Rusev, G.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Crider, B. P.; Yates, S. W.] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. [Isaak, J.; Loeher, B.; Savran, D.] GSI Darmstadt, EMMI & Res Div, D-64291 Darmstadt, Germany. [Isaak, J.; Loeher, B.; Savran, D.] FIAS, D-60438 Frankfurt, Germany. [Kelley, J. H.; Kwan, E.; Tornow, W.] Triangle Univ Nucl Lab, Durham, NC 27708 USA. [Kwan, E.; Tonchev, A. P.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. [Peters, E. E.] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA. [Scheck, M.] Univ West Scotland, Sch Engn, Paisley PA1 2BE, Renfrew, Scotland. [Scheck, M.] Scottish Univ Phys Alliance, Glasgow G12 8QQ, Lanark, Scotland. RP Werner, V (reprint author), Tech Univ Darmstadt, Inst Kernphys, Schlossgartenstr 9, D-64289 Darmstadt, Germany. EM vw@ikp.tu-darmstadt.de RI Bernards, Christian/C-4879-2013; OI Bernards, Christian/0000-0001-5346-1415; Rusev, Gencho/0000-0001-7563-1518 NR 28 TC 0 Z9 0 U1 0 U2 4 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X BN 978-2-7598-1794-8 J9 EPJ WEB CONF PY 2015 VL 93 AR 01031 DI 10.1051/epjconf/20159301031 PG 5 WC Physics, Multidisciplinary; Spectroscopy SC Physics; Spectroscopy GA BD1RU UT WOS:000358307500031 ER PT J AU McCloskey, BD Burke, CM Nichols, JE Renfrew, SE AF McCloskey, Bryan D. Burke, Colin M. Nichols, Jessica E. Renfrew, Sara E. TI Mechanistic insights for the development of Li-O-2 battery materials: addressing Li2O2 conductivity limitations and electrolyte and cathode instabilities SO CHEMICAL COMMUNICATIONS LA English DT Article ID LI-AIR BATTERIES; LITHIUM-OXYGEN BATTERIES; ETHER-BASED ELECTROLYTES; DIMETHYL-SULFOXIDE; ION BATTERIES; SOLID-STATE; CARBONATE ELECTROLYTES; KINETIC OVERPOTENTIALS; OVERCHARGE PROTECTION; DISCHARGE CAPACITY AB The Li-air battery has received significant attention over the past decade given its high theoretical specific energy compared to competing energy storage technologies. Yet, numerous scientific challenges remain unsolved in the pursuit of attaining a battery with modest Coulombic efficiency and high capacity. In this Feature Article, we provide our current perspective on challenges facing the development of nonaqueous Li-O-2 battery cathodes. We initially present a review on our understanding of electrochemical processes occurring at the nonaqueous Li-O-2 cathode. Electrolyte and cathode instabilities and Li2O2 conductivity limitations are then discussed, and suggestions for future materials research development to alleviate these issues are provided. C1 [McCloskey, Bryan D.; Burke, Colin M.; Nichols, Jessica E.; Renfrew, Sara E.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [McCloskey, Bryan D.; Burke, Colin M.; Nichols, Jessica E.; Renfrew, Sara E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP McCloskey, BD (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM bmcclosk@berkeley.edu RI McCloskey, Bryan/A-6556-2015; OI McCloskey, Bryan/0000-0001-6599-2336; Nichols, Jessica/0000-0002-8597-1898 FU Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy, Energy Efficiency and Renewable Energy Vehicle Technologies Office [DE-0006869] FX The authors wish to thank Alan Luntz, Venkat Viswanathan, Dan Addison, and Wei Tong for helpful discussions. BDM, SER, and JEN gratefully acknowledge support through the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy Contract No. DE-AC02-05CH11231, and support for CMB through the U.S. Department of Energy, Energy Efficiency and Renewable Energy Vehicle Technologies Office under award DE-0006869. NR 139 TC 29 Z9 29 U1 11 U2 113 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 64 BP 12701 EP 12715 DI 10.1039/c5cc04620c PG 15 WC Chemistry, Multidisciplinary SC Chemistry GA CN7IY UT WOS:000358609100001 PM 26179598 ER PT J AU He, X Qi, YL Wang, Z Wang, JX Shuai, SJ Tao, L AF He, Xin Qi, Yunliang Wang, Zhi Wang, Jianxin Shuai, Shijin Tao, Ling TI VISUALIZATION OF THE MODE SHAPES OF PRESSURE OSCILLATION IN A CYLINDRICAL CAVITY SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE Cylindrical cavity; Mode shape; Resonant frequency ID ISOTROPIC CIRCULAR CYLINDERS; THERMOACOUSTIC OSCILLATIONS; COMBUSTION-CHAMBERS; ENGINE COMBUSTION; WAVE PROPAGATION; PRE-IGNITION; SUPER-KNOCK; RESONANCES; CHEMILUMINESCENCE AB This article describes a novel experimental method to visualize the mode shapes of pressure oscillation in a cylindrical cavity. Acoustic resonance in a cavity is a grand old problem that has been under investigation (using both analytical and numerical methods) for more than a century. In this article, a novel method based on high speed imaging of combustion chemiluminescence was presented to visualize the mode shapes of pressure oscillation in a cylindrical cavity. By generating high-temperature combustion gases and strong pressure waves simultaneously in a cylindrical cavity, the pressure oscillation can be inferred due to the chemiluminescence emissions of the combustion products. The mode shapes can then be visualized by reconstructing the images based on the amplitudes of the luminosity spectrum at the corresponding resonant frequencies. Up to 11 resonant mode shapes were clearly visualized, each matching very well with the analytical solutions. C1 [He, Xin; Shuai, Shijin] Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China. [He, Xin; Qi, Yunliang; Wang, Zhi; Wang, Jianxin; Shuai, Shijin] Tsinghua Univ, State Key Lab Automot Safety & Energy, Beijing 100084, Peoples R China. [Tao, Ling] Natl Renewable Energy Lab, Golden, CO USA. RP Wang, Z (reprint author), Tsinghua Univ, Automobile Res Inst, State Key Lab Automot Safety & Energy, Room 112, Beijing 100084, Peoples R China. EM wangzhi@tsinghua.edu.cn FU National Natural Science Foundation of China [51476086] FX This study is supported by the National Natural Science Foundation of China (Grant No. 51476086). NR 30 TC 0 Z9 0 U1 2 U2 6 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0010-2202 EI 1563-521X J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PY 2015 VL 187 IS 10 BP 1610 EP 1619 DI 10.1080/00102202.2015.1038385 PG 10 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA CO0UL UT WOS:000358868900007 ER PT S AU Almaraz-Calderon, S Carnelli, PFF Rehm, KE Albers, M Alcorta, M Bertone, PF Digiovine, B Esbensen, H Niello, JOF Henderson, D Jiang, CL Lai, J Marley, ST Nusair, O Palchan-Hazan, T Pardo, RC Paul, M Ugalde, C AF Almaraz-Calderon, S. Carnelli, P. F. F. Rehm, K. E. Albers, M. Alcorta, M. Bertone, P. F. Digiovine, B. Esbensen, H. Fernandez Niello, J. O. Henderson, D. Jiang, C. L. Lai, J. Marley, S. T. Nusair, O. Palchan-Hazan, T. Pardo, R. C. Paul, M. Ugalde, C. BE Giardina, G Eidelman, S Venanzoni, G Battaglieri, M Mandaglio, G TI C plus C Fusion Cross Sections Measurements for Nuclear Astrophysics SO DARK MATTER, HADRON PHYSICS AND FUSION PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT International Conference on Dark Matter, Hadron Physics and Fusion Physics CY SEP 24-26, 2014 CL Univ Messina, Messina, ITALY SP Fondazione Bonino Pulejo HO Univ Messina ID STARS AB Total fusion cross section of carbon isotopes were obtained using the newly developed MUSIC detector. MUSIC is a highly efficient, active target-detector system designed to measure fusion excitation functions with radioactive beams. The present measurements are relevant for understanding x-ray superbursts. The results of the first MUSIC campaign as well as the astrophysical implications are presented in this work. C1 [Almaraz-Calderon, S.; Carnelli, P. F. F.; Rehm, K. E.; Albers, M.; Alcorta, M.; Bertone, P. F.; Digiovine, B.; Esbensen, H.; Henderson, D.; Jiang, C. L.; Marley, S. T.; Nusair, O.; Palchan-Hazan, T.; Pardo, R. C.; Ugalde, C.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Carnelli, P. F. F.; Fernandez Niello, J. O.] Comis Nacl Energia Atom, Lab Tandar, San Martin, Buenos Aires, Argentina. [Lai, J.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Paul, M.] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. RP Almaraz-Calderon, S (reprint author), Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. EM salmaraz@physics.fsu.edu NR 14 TC 0 Z9 0 U1 0 U2 3 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 96 AR 01001 DI 10.1051/epjconf/20159601001 PG 5 WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BD1WU UT WOS:000358445500001 ER PT S AU Filippi, A AF Filippi, A. CA CLAS Collaboration BE Giardina, G Eidelman, S Venanzoni, G Battaglieri, M Mandaglio, G TI The Meson Spectroscopy Program at the Jefferson Laboratory SO DARK MATTER, HADRON PHYSICS AND FUSION PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT International Conference on Dark Matter, Hadron Physics and Fusion Physics CY SEP 24-26, 2014 CL Univ Messina, Messina, ITALY SP Fondazione Bonino Pulejo HO Univ Messina ID F(0)(1500) DECAY; HYDROGEN TARGETS; HIGH-STATISTICS; 18 GEV/C; ANNIHILATION; REST; PHOTOPRODUCTION; CEBAF; STATE; ETA AB The experimental techniques that will be applied by the next generation meson spectroscopy experiments at JLab are described. For the first time, these experiments will be able to exploit the features of a photon beam of unprecedented intensity and momentum resolution, that will allow to perform precision studies of meson states with masses below 3 GeV/c(2). Photon induced reactions will enhance the production of spin-1 mesons, that are of particular interest according to the most recent Lattice QCD calculations of the lightest exotic hybrid meson. C1 [Filippi, A.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [CLAS Collaboration] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Filippi, A (reprint author), Ist Nazl Fis Nucl, Sez Torino, Via P Giuria 1, I-10125 Turin, Italy. EM filippi@to.infn.it NR 37 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 96 AR 01013 DI 10.1051/epjconf/20159601013 PG 8 WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BD1WU UT WOS:000358445500013 ER PT S AU Tiberio, A Adriani, O Berti, E Bonechi, L Bongi, M Castellini, G D'Alessandro, R Del Prete, M Haguenauer, M Itow, Y Kasahara, K Kawade, K Makino, Y Masuda, K Matsubayashi, E Menjo, H Mitsuka, G Muraki, Y Papini, P Perrot, AL Pfeiffer, D Ricciarini, S Sako, T Sakurai, N Shimizu, Y Sugiura, Y Suzuki, T Tamura, T Torii, S Tricomi, A Turner, WC Zhou, Q AF Tiberio, A. Adriani, O. Berti, E. Bonechi, L. Bongi, M. Castellini, G. D'Alessandro, R. Del Prete, M. Haguenauer, M. Itow, Y. Kasahara, K. Kawade, K. Makino, Y. Masuda, K. Matsubayashi, E. Menjo, H. Mitsuka, G. Muraki, Y. Papini, P. Perrot, A-L Pfeiffer, D. Ricciarini, S. Sako, T. Sakurai, N. Shimizu, Y. Sugiura, Y. Suzuki, T. Tamura, T. Torii, S. Tricomi, A. Turner, W. C. Zhou, Q. BE Giardina, G Eidelman, S Venanzoni, G Battaglieri, M Mandaglio, G TI Recent results from the LHCf experiment SO DARK MATTER, HADRON PHYSICS AND FUSION PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT International Conference on Dark Matter, Hadron Physics and Fusion Physics CY SEP 24-26, 2014 CL Univ Messina, Messina, ITALY SP Fondazione Bonino Pulejo HO Univ Messina ID PROTON-PROTON COLLISIONS; PHOTON ENERGY-SPECTRA AB The LHC-forward (LHCf) experiment, situated at the LHC accelerator, has measured neutral particles production in a very forward region (pseudo-rapidity > 8.4) in proton-proton and proton-lead collisions. The main purpose of the LHCf experiment is to test hadronic interaction models used in cosmic rays experiments to simulate cosmic rays induced air-showers in Earth's atmosphere. The experiment is composed of two independent detectors located at 140m from the ATLAS interaction point (IP1) on opposite sides; each detector is composed of two sampling calorimeters. Latest physics results from p-p and p-Pb collisions (at root s = 7 TeV and 5.02 TeV respectively) will be discussed in this paper; in particular, the inclusive energy spectra of neutrons in p-p collisions and the transverse momentum spectra of neutral pions for different pseudo-rapidity ranges in p-Pb collisions will be shown. C1 [Tiberio, A.; Adriani, O.; Berti, E.; Bongi, M.; D'Alessandro, R.; Del Prete, M.; Mitsuka, G.] Univ Florence, I-50121 Florence, Italy. [Tiberio, A.; Adriani, O.; Berti, E.; Bonechi, L.; Bongi, M.; Castellini, G.; D'Alessandro, R.; Del Prete, M.; Papini, P.; Ricciarini, S.] INFN Sect Florence, Florence, Italy. [Castellini, G.; Ricciarini, S.] IFAC CNR, Florence, Italy. [Haguenauer, M.] Ecole Polytech, Palaiseau, France. [Itow, Y.; Kawade, K.; Makino, Y.; Masuda, K.; Matsubayashi, E.; Mitsuka, G.; Muraki, Y.; Sako, T.; Sugiura, Y.; Zhou, Q.] Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi 4648601, Japan. [Itow, Y.; Sako, T.; Sakurai, N.] Nagoya Univ, Kobayashi Maskawa Inst Origin Particles & Univers, Nagoya, Aichi 4648601, Japan. [Kasahara, K.; Suzuki, T.; Torii, S.] Waseda Univ, RISE, Tokyo, Japan. [Menjo, H.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan. [Perrot, A-L; Pfeiffer, D.] CERN, CH-1211 Geneva 23, Switzerland. [Shimizu, Y.] JAXA, Tokyo, Japan. [Tamura, T.] Kanagawa Univ, Kanagawa, Japan. [Tricomi, A.] Univ Catania, I-95124 Catania, Italy. [Tricomi, A.] INFN Sect Catania, Padua, Italy. [Turner, W. C.] LBNL, Berkeley, CA USA. RP Tiberio, A (reprint author), Univ Florence, I-50121 Florence, Italy. EM alessio.tiberio@fi.infn.it RI Bongi, Massimo/L-9417-2015 OI Bongi, Massimo/0000-0002-6050-1937 NR 13 TC 0 Z9 0 U1 1 U2 3 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 96 AR 01031 DI 10.1051/epjconf/20159601031 PG 5 WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BD1WU UT WOS:000358445500031 ER PT J AU Mai, CK Russ, B Fronk, SL Hu, N Chan-Park, MB Urban, JJ Segalman, RA Chabinyc, ML Bazan, GC AF Mai, Cheng-Kang Russ, Boris Fronk, Stephanie L. Hu, Nan Chan-Park, Mary B. Urban, Jeffrey J. Segalman, Rachel A. Chabinyc, Michael L. Bazan, Guillermo C. TI Varying the ionic functionalities of conjugated polyelectrolytes leads to both p- and n-type carbon nanotube composites for flexible thermoelectrics SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID FIELD-EFFECT TRANSISTORS; SEMICONDUCTING POLYMERS; ORGANIC SEMICONDUCTORS; ELECTRONIC-PROPERTIES; MOLECULAR DESIGN; POWER FACTORS; SOLAR-CELLS; CONDUCTIVITY; PERFORMANCE; NANOCOMPOSITES AB Single-walled carbon nanotubes can be selectively doped by conjugated polyelectrolytes (CPEs) to form either p- or n-type composites. The selectivity of charge-transfer doping is found to be dictated by the polarities of CPE pendant ionic functionalities. This finding leads to a fundamentally new approach to both p- and n-type solutionprocessable composites for high performance, flexible thermoelectric devices. C1 [Mai, Cheng-Kang; Fronk, Stephanie L.; Hu, Nan; Bazan, Guillermo C.] Univ Calif Santa Barbara, Dept Chem & Biochem, Ctr Polymers & Organ Solids, Santa Barbara, CA 93106 USA. [Russ, Boris] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Chan-Park, Mary B.] Nanyang Technol Univ, Sch Chem & Biomed Engn, Singapore 637459, Singapore. [Russ, Boris; Urban, Jeffrey J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Mol Foundry, Berkeley, CA 94720 USA. [Segalman, Rachel A.; Chabinyc, Michael L.; Bazan, Guillermo C.] Univ Calif Santa Barbara, Mat Res Lab, Dept Mat, Santa Barbara, CA 93106 USA. RP Mai, CK (reprint author), Univ Calif Santa Barbara, Dept Chem & Biochem, Ctr Polymers & Organ Solids, Santa Barbara, CA 93106 USA. EM bazan@chem.ucsb.edu RI Mai, Cheng-Kang/A-8018-2012; Chan-Park, Mary/G-6196-2010; Foundry, Molecular/G-9968-2014; Bazan, Guillermo/B-7625-2014 OI Mai, Cheng-Kang/0000-0002-9825-7466; Chan-Park, Mary/0000-0003-3761-7517; FU AFOSR MURI [FA9550-12-1-0002]; MRSEC Program of the NSF [DMR 1121053]; NSF; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX We acknowledge financial support from the AFOSR MURI FA9550-12-1-0002. The MRL Shared Experimental Facilities (SEM, UPS, and GPC) are supported by the MRSEC Program of the NSF under Award No. DMR 1121053; a member of the NSF-funded Materials Research Facilities Network (www.mrfn.org). Portions of this research were carried out at the Molecular Foundry, a Lawrence Berkeley National Laboratory user facility supported by the Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract DE-AC02-05CH11231. C.-K. Mai thanks Prof. Thuc-Quyen Nguyen and Dr Xiaofeng Liu for helpful discussions, Dr Ruth Schlitz and Anne Glaudell for help on thermoelectric measurements. NR 65 TC 25 Z9 25 U1 12 U2 81 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2015 VL 8 IS 8 BP 2341 EP 2346 DI 10.1039/c5ee00938c PG 6 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA CN8XZ UT WOS:000358730600008 ER PT J AU Lichterman, MF Hu, S Richter, MH Crumlin, EJ Axnanda, S Favaro, M Drisdell, W Hussain, Z Mayer, T Brunschwig, BS Lewis, NS Liu, Z Lewerenz, HJ AF Lichterman, Michael F. Hu, Shu Richter, Matthias H. Crumlin, Ethan J. Axnanda, Stephanus Favaro, Marco Drisdell, Walter Hussain, Zahid Mayer, Thomas Brunschwig, Bruce S. Lewis, Nathan S. Liu, Zhi Lewerenz, Hans-Joachim TI Direct observation of the energetics at a semiconductor/liquid junction by operando X-ray photoelectron spectroscopy SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID SOLID-LIQUID INTERFACE; SOLAR-CELLS; BAND-GAP; SEMICONDUCTOR/ELECTROLYTE INTERFACES; ENERGY-CONVERSION; SURFACE-STATES; WATER; XPS; OXIDATION; DEVICES AB Photoelectrochemical (PEC) cells based on semiconductor/liquid interfaces provide a method of converting solar energy to electricity or fuels. Currently, the understanding of semiconductor/liquid interfaces is inferred from experiments and models. Operando ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) has been used herein to directly characterize the semiconductor/liquid junction at room temperature under real-time electrochemical control. X-ray synchrotron radiation in conjunction with AP-XPS has enabled simultaneous monitoring of the solid surface, the solid/electrolyte interface, and the bulk electrolyte of a PEC cell as a function of the applied potential, U. The observed shifts in binding energy with respect to the applied potential have directly revealed ohmic and rectifying junction behavior on metallized and semiconducting samples, respectively. Additionally, the non-linear response of the core level binding energies to changes in the applied electrode potential has revealed the influence of defect-derived electronic states on the Galvani potential across the complete cell. C1 [Lichterman, Michael F.; Hu, Shu; Lewis, Nathan S.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Lichterman, Michael F.; Hu, Shu; Richter, Matthias H.; Favaro, Marco; Drisdell, Walter; Brunschwig, Bruce S.; Lewis, Nathan S.; Lewerenz, Hans-Joachim] CALTECH, Joint Ctr Artificial Photosynthesis, Pasadena, CA 91125 USA. [Crumlin, Ethan J.; Axnanda, Stephanus; Favaro, Marco; Drisdell, Walter; Hussain, Zahid; Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Mayer, Thomas] Tech Univ Darmstadt, Dept Mat Sci, Div Surface Sci, D-64287 Darmstadt, Germany. [Brunschwig, Bruce S.] CALTECH, Beckman Inst, Pasadena, CA 91125 USA. [Lewis, Nathan S.] CALTECH, Kavli Nanosci Inst, Pasadena, CA 91125 USA. [Liu, Zhi] Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China. [Liu, Zhi] ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China. RP Lichterman, MF (reprint author), CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. EM bsb@caltech.edu; nslewis@caltech.edu; zliu2@lbl.gov; lewerenz@caltech.edu RI Liu, Zhi/B-3642-2009; Hu, Shu/B-8120-2013; OI Liu, Zhi/0000-0002-8973-6561; Favaro, Marco/0000-0002-3502-8332 FU Office of Science of the U.S. Department of Energy (DOE) [DE-SC0004993]; DOE Energy Innovation Hub; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported through the Office of Science of the U.S. Department of Energy (DOE) under award no. DE-SC0004993 to the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub. 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. We acknowledge Dr. Philip Ross for his contributions to the conceptual development of the AP-XPS endstation and experimental design, and Junko Yano for fruitful discussions. We acknowledge Fadl Saadi, Beomgyun Jeong, and Sana Rani for assistance during data collection at the beamline. NR 47 TC 19 Z9 19 U1 14 U2 65 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2015 VL 8 IS 8 BP 2409 EP 2416 DI 10.1039/c5ee01014d PG 8 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA CN8XZ UT WOS:000358730600019 ER PT B AU Roberts, CD AF Roberts, Craig D. BE EbrahimiFard, K Fauvet, F TI Strong QCD and Dyson-Schwinger equations SO FAA DI BRUNO HOPF ALGEBRAS, DYSON-SCHWINGER EQUATIONS, AND LIE-BUTCHER SERIES SE IRMA Lectures in Mathematics and Theoretical Physics LA English DT Proceedings Paper CT Conference on Dyson-Schwinger Equations and Faa di Bruno Hopf Algebras in Physics and Combinatorics (DSFdB2011) CY JUN 27-JUL 01, 2011 CL Strasbourg Univ, IRMA, Strasbourg, FRANCE SP French Ctr Natl Rech Sci, Courant Res Ctr, Lab Math Informatique & Applicat, Inst Rech Math Avancee HO Strasbourg Univ, IRMA ID CHIRAL-SYMMETRY-BREAKING; ELECTROMAGNETIC FORM-FACTORS; DEEP INELASTIC-SCATTERING; QUANTUM CHROMODYNAMICS; HADRON PHYSICS; DECAY CONSTANT; BOUND-STATES; FIELD-THEORY; U(1) PROBLEM; QUARK-MODEL AB The real-world properties of quantum chromodynamics (QCD) - the strongly-interacting piece of the Standard Model - are dominated by two emergent phenomena: confinement; namely, the theory's elementary degrees-of-freedom - quarks and gluons - have never been detected in isolation; and dynamical chiral symmetry breaking (DCSB), which is a remarkably effective mass generating mechanism, responsible for the mass of more than 98% of visible matter in the Universe. These phenomena are not apparent in the formulae that define QCD, yet they play a principal role in determining Nature's observable characteristics. Much remains to be learnt before confinement can properly be understood. On the other hand, the last decade has seen important progress in the use of relativistic quantum field theory, so that we can now explain the origin of DCSB and are beginning to demonstrate its far-reaching consequences. Dyson-Schwinger equations have played a critical role in these advances. These lecture notes provide an introduction to Dyson-Schwinger equations (DSEs), QCD and hadron physics, and illustrate the use of DSEs to predict observable phenomena. C1 [Roberts, Craig D.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Roberts, Craig D.] IIT, Dept Phys, Chicago, IL 60616 USA. RP Roberts, CD (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM cdroberts@anl.gov NR 271 TC 2 Z9 2 U1 1 U2 1 PU EUROPEAN MATHEMATICAL SOC PI ZURICH PA ETH-ZENTRUM FLI C4, ZURICH, CH-8092, SWITZERLAND BN 978-3-03719-143-9 J9 IRMA LECT MATH THEOR PY 2015 VL 21 BP 355 EP 458 PG 104 WC Mathematics SC Mathematics GA BD2JS UT WOS:000358806200007 ER PT S AU Monnai, A AF Monnai, Akihiko GP IOP TI Effects of quark chemical equilibration on thermal photon elliptic flow SO HOT QUARKS 2014: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 6th Workshop on Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY SEP 21-28, 2014 CL Las Negras, SPAIN SP Brookhaven Natl Lab, CPAN, Czech Sci Fdn, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Assoc & GSI, Helmholtz Int Ctr FAIR, Natl Sci Fdn, ASCR, Nucl Phys Inst, Patronato Alhambra Generalife, Univ Granada ID GLUON DISTRIBUTION-FUNCTIONS; LARGE NUCLEI AB Large hadronic elliptic flow v2 is considered as an evidence for the existence of a strongly-coupled QGP fluid in high-energy heavy-ion collisions. On the other hand, direct photon v2 has recently been found to be much larger than that of hydrodynamic estimations, which is recognized as "photon v2 puzzle". In this study, I discuss the implication of late production of quarks in an initially gluon-rich medium because photons are coupled to quarks. Numerical analyses imply that thermal photon v2 can be visibly enhanced. This indicates that interplay of equilibration processes and collective expansion would be important. C1 Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Monnai, A (reprint author), Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. EM amonnai@riken.jp NR 17 TC 1 Z9 1 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 612 AR 012026 DI 10.1088/1742-6596/612/1/012026 PG 4 WC Physics, Nuclear SC Physics GA BD1PN UT WOS:000358244000026 ER PT S AU Perepelitsa, DV AF Perepelitsa, Dennis V. CA ATLAS Collaboration GP IOP TI High-p(T) probes of p plus Pb collisions with ATLAS SO HOT QUARKS 2014: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 6th Workshop on Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY SEP 21-28, 2014 CL Las Negras, SPAIN SP Brookhaven Natl Lab, CPAN, Czech Sci Fdn, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Assoc & GSI, Helmholtz Int Ctr FAIR, Natl Sci Fdn, ASCR, Nucl Phys Inst, Patronato Alhambra Generalife, Univ Granada AB Measurements of high PT processes in ultrarelativistic proton nucleus collisions are sensitive to changes in the partonic densities arising from the presence of the nuclear environment. Additionally, such measurements benchmark the so called "cold nuclear matter" effects and provide the reference for understanding the large suppression of high-PT processes observed in nucleus nucleus collisions. Furthermore, measurements of the centrality dependence of jet production at forward (proton-going) rapidities may shed light on the behavior of the proton wavefunction at large Bjorken-x. The latest ATLAS results for inclusive jets and charged particles in 28.9 nb(-1) of 5.02 TeV proton lead collisions at the LHC are presented. The centrality in these collisions is characterized through the sum of the total transverse energy in the lead-going forward calorimeter. The nuclear modification factors R-pPb and R-CP are presented as a function of transverse momentum, rapidity and centrality. The jet R-CP in a large rapidity region is found to be modified in a way that depends only on the total jet energy. C1 [Perepelitsa, Dennis V.; ATLAS Collaboration] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Perepelitsa, DV (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM dvp@bnl.gov NR 10 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 612 AR 012012 DI 10.1088/1742-6596/612/1/012012 PG 4 WC Physics, Nuclear SC Physics GA BD1PN UT WOS:000358244000012 ER PT S AU Schenke, B AF Schenke, Bjoern GP IOP TI Initial state fluctuations and final state collectivity in high energy nuclear collisions: Status and Outlook SO HOT QUARKS 2014: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 6th Workshop on Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY SEP 21-28, 2014 CL Las Negras, SPAIN SP Brookhaven Natl Lab, CPAN, Czech Sci Fdn, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Assoc & GSI, Helmholtz Int Ctr FAIR, Natl Sci Fdn, ASCR, Nucl Phys Inst, Patronato Alhambra Generalife, Univ Granada ID HEAVY-ION COLLISIONS; QUARK-GLUON PLASMA; ROOT-S(NN)=5.02 TEV; PB COLLISIONS; FLOW; THERMODYNAMICS; DEPENDENCE; DENSITY; PPB AB We review recent developments in the theoretical description of the initial state and collective dynamics in heavy ion and light-heavy ion collisions. After describing the current state of the art in event by event simulations of high energy nuclear collisions we will focus on open issues. These include early time non-equilibrium dynamics, small collision systems (p+p, p+A), hydrodynamic fluctuations, and lower beam energies (root s < 200 GeV). C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Schenke, B (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM bschenke@bnl.gov NR 93 TC 0 Z9 0 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 612 AR 012059 DI 10.1088/1742-6596/612/1/012059 PG 6 WC Physics, Nuclear SC Physics GA BD1PN UT WOS:000358244000059 ER PT S AU Yu, HW AF Yu, Haiwang CA PHENIX Collaboration GP IOP TI Study of Charmonia Production vs. Charged Track Multiplicity in p plus p Collisions at PHENIX SO HOT QUARKS 2014: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 6th Workshop on Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY SEP 21-28, 2014 CL Las Negras, SPAIN SP Brookhaven Natl Lab, CPAN, Czech Sci Fdn, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Assoc & GSI, Helmholtz Int Ctr FAIR, Natl Sci Fdn, ASCR, Nucl Phys Inst, Patronato Alhambra Generalife, Univ Granada ID DETECTOR; J/PSI; TEV AB Charmonia production is a unique probe to explore the dynamics of particle production in hot and cold nuclear matter. Traditionally, charmonia suppression has been studied in heavy-ion collisions to quantify various nuclear effects. Since the "long-range, nearside angular correlation in p p collisions" discovered at the LHC, collective QCD phenomena in smaller systems have been a hot research topic. A recent PHENIX d + Au results also show intriguing hints that the comover effect may play an important role along with other competing effects. At PHENIX the newly upgraded silicon detector FVTX provides improved dimuon mass resolution at forward rapidity as well as the capability of measuring charged track multiplicity directly. In these proceedings, we present the latest result on ti,(2S) production in dl-Au collisions at midrapidity, the first 0(2S) measurement at forward rapidity at RHIC and the expected precision for the charmonia production vs. charged track multiplicity in p p collisions at PHENIX. C1 [Yu, Haiwang] Peking Univ, Sch Phys, Beijing 100871, Peoples R China. New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA. Los Alamos Natl Lab, P Grp 25, Los Alamos, NM 87544 USA. RP Yu, HW (reprint author), Peking Univ, Sch Phys, Beijing 100871, Peoples R China. EM yuhw.pku@gmail.com NR 11 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 612 AR 012029 DI 10.1088/1742-6596/612/1/012029 PG 4 WC Physics, Nuclear SC Physics GA BD1PN UT WOS:000358244000029 ER PT S AU Zhu, Y Wang, XN AF Zhu, Yan Wang, Xin-Nian GP IOP TI Constraining of jet medium interaction in high-energy heavy-ion collisions SO HOT QUARKS 2014: WORKSHOP FOR YOUNG SCIENTISTS ON THE PHYSICS OF ULTRARELATIVISTIC NUCLEUS-NUCLEUS COLLISIONS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 6th Workshop on Young Scientists on the Physics of Ultrarelativistic Nucleus-Nucleus Collisions (Hot Quarks) CY SEP 21-28, 2014 CL Las Negras, SPAIN SP Brookhaven Natl Lab, CPAN, Czech Sci Fdn, European Lab Particle Phys, European Res Council, ExtreMe Matter Inst, Helmholtz Assoc & GSI, Helmholtz Int Ctr FAIR, Natl Sci Fdn, ASCR, Nucl Phys Inst, Patronato Alhambra Generalife, Univ Granada AB In this talk, we discuss jet medium interaction, in particular, 7-tagged jet energy loss and gamma-jet correlation in Pb+Pb collisions at root s = 2.76 TeV within a linearized Boltzmann transport (LBT) model. It is shown that both recoiled and radiated partons have considerable contribution to the energy of a reconstructed jet. LBT results agree well with experimental data and also indicate a sizable azimuthal angle broadening of gamma-jet correlation which should be observable with reduced experimental uncertainties. A gamma-tagged jet fragmentation function is also shown as a better measure of jet quenching. C1 [Zhu, Yan] Univ Santiago de Compostela, Dept Fis Particulas, E-15706 Santiago De Compostela, Galicia, Spain. [Zhu, Yan] Univ Santiago de Compostela, IGFAE, E-15706 Santiago De Compostela, Galicia, Spain. [Wang, Xin-Nian] Cent China Normal Univ, Key Lab Quark & Lepton Phys MOE, Wuhan 430079, Peoples R China. [Wang, Xin-Nian] Cent China Normal Univ, Inst Particle Phys, Wuhan 430079, Peoples R China. [Wang, Xin-Nian] Lawrence Berkeley Natl Lab, Nucl Sci Div, Berkeley, CA 94740 USA. RP Zhu, Y (reprint author), Univ Santiago de Compostela, Dept Fis Particulas, E-15706 Santiago De Compostela, Galicia, Spain. EM yan.zhu@usc.es NR 10 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 612 AR 012007 DI 10.1088/1742-6596/612/1/012007 PG 4 WC Physics, Nuclear SC Physics GA BD1PN UT WOS:000358244000007 ER PT J AU Kishcha, P da Silva, A Starobinets, B Long, C Kalashnikova, O Alpert, P AF Kishcha, Pavel da Silva, Arlindo Starobinets, Boris Long, Charles Kalashnikova, Olga Alpert, Pinhas TI Saharan dust as a causal factor of hemispheric asymmetry in aerosols and cloud cover over the tropical Atlantic Ocean SO INTERNATIONAL JOURNAL OF REMOTE SENSING LA English DT Article ID OPTICAL-PROPERTIES; MINERAL DUST; MODIS; PRECIPITATION; SATELLITE; TRENDS; THICKNESS; TRANSPORT; POLLUTION; IMPACT AB Previous studies showed that, over the global ocean, there is no noticeable hemispheric asymmetry in cloud fraction (CF). This contributes to the balance in solar radiation reaching the sea surface in the northern and southern hemispheres. In the current study, we focus on the tropical Atlantic (30 degrees N-30 degrees S), which is characterized by significant amounts of Saharan dust dominating other aerosol species over the North Atlantic. Our main point is that, over the tropical Atlantic, Saharan dust not only is responsible for the pronounced hemispheric aerosol asymmetry, but also contributes to significant cloud cover along the Saharan Air Layer (SAL). Over the tropical Atlantic in July, along the SAL, Moderate Resolution Imaging Spectroradiometer CF data showed significant cloud cover (up to 0.8-0.9). This significant CF along SAL together with clouds over the Atlantic Intertropical Convergence Zone contributes to the 20% hemispheric CF asymmetry. This leads to the imbalance in strong solar radiation, which reaches the sea surface between the tropical North and South Atlantic, and, consequently, affects climate formation in the tropical Atlantic. During the 10-year study period (July 2002-June 2012), NASA Aerosol Reanalysis (aka MERRAero) showed that, when the hemispheric asymmetry in dust aerosol optical thickness (AOT) was most pronounced (particularly in July), dust AOT averaged separately over the tropical North Atlantic was one order of magnitude higher than that averaged over the tropical South Atlantic. In the presence of such strong hemispheric asymmetry in dust AOT in July, CF averaged separately over the tropical North Atlantic exceeded that over the tropical South Atlantic by 20%. Both Multiangle Imaging Spectroradiometer measurements and MERRAero data were in agreement on seasonal variations in hemispheric aerosol asymmetry. Hemispheric asymmetry in total AOT over the Atlantic was most pronounced between March and July, when dust presence over the North Atlantic was maximal. In September and October, there was no noticeable hemispheric aerosol asymmetry between the tropical North and South Atlantic. During the season with no noticeable hemispheric aerosol asymmetry, we found no noticeable asymmetry in cloud cover. C1 [Kishcha, Pavel; Starobinets, Boris; Alpert, Pinhas] Tel Aviv Univ, Dept Geosci, IL-69978 Tel Aviv, Israel. [da Silva, Arlindo] NASA GSFC, Global Modeling & Assimilat Off, Greenbelt, MD 20771 USA. [Long, Charles] Pacific NW Natl Lab, Richland, WA 99352 USA. [Kalashnikova, Olga] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. RP Kishcha, P (reprint author), Tel Aviv Univ, Dept Geosci, IL-69978 Tel Aviv, Israel. EM pavelk@post.tau.ac.il FU Office of Biological and Environmental Research of the US Department of Energy; international Virtual Institute DESERVE (Dead Sea Research Venue) - German Helmholtz Association FX Dr Long acknowledges support from the Office of Biological and Environmental Research of the US Department of Energy as part of the Atmospheric Systems Research Program. The Tel-Aviv University team acknowledges support from the international Virtual Institute DESERVE (Dead Sea Research Venue), funded by the German Helmholtz Association. NR 45 TC 1 Z9 1 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0143-1161 EI 1366-5901 J9 INT J REMOTE SENS JI Int. J. Remote Sens. PY 2015 VL 36 IS 13 BP 3423 EP 3445 DI 10.1080/01431161.2015.1060646 PG 23 WC Remote Sensing; Imaging Science & Photographic Technology SC Remote Sensing; Imaging Science & Photographic Technology GA CN8UJ UT WOS:000358719600008 ER PT J AU Viner, BJ Jannik, T Stone, D Hepworth, A Naeher, L Adetona, O Blake, J Eddy, T AF Viner, Brian J. Jannik, Tim Stone, Daniel Hepworth, Allan Naeher, Luke Adetona, Olorunfemi Blake, John Eddy, Teresa TI Modelling and mitigating dose to firefighters from inhalation of radionuclides in wildland fire smoke SO INTERNATIONAL JOURNAL OF WILDLAND FIRE LA English DT Article DE atmospheric dispersion; radioactive dose; radioecology ID SAVANNA RIVER SITE; COASTAL-PLAIN; UNITED-STATES; EMISSION FACTORS; SOUTH-CAROLINA; FOREST; WILDFIRE; BURNS AB Firefighters responding to wildland fires where surface litter and vegetation contain radiological contamination will receive a radiological dose by inhaling resuspended radioactive material in the smoke. This may increase their lifetime risk of contracting certain types of cancer. Using published data, we modelled hypothetical radionuclide emissions, dispersion and dose for 70th and 97th percentile environmental conditions and for average and high fuel loads at the Savannah River Site. We predicted downwind concentration and potential dose to firefighters for radionuclides of interest (Cs-137, Pu-238, Sr-90 and Po-210). Predicted concentrations exceeded dose guidelines in the base case scenario emissions of 1.0x10(7)Bqha(-1) for Pu-238 at 70th percentile environmental conditions and average fuel load levels for both 4- and 14-h shifts. Under 97th percentile environmental conditions and high fuel loads, dose guidelines were exceeded for several reported cases for Sr-90, Pu-238 and Po-210. The potential for exceeding dose guidelines was mitigated by including plume rise (>2ms(-1)) or moving a small distance from the fire owing to large concentration gradients near the edge of the fire. This approach can quickly estimate potential dose from airborne radionuclides in wildland fire and assist decision-making to reduce firefighter exposure. C1 [Viner, Brian J.; Jannik, Tim; Stone, Daniel] Savannah River Natl Lab, Aiken, SC 29808 USA. [Hepworth, Allan; Blake, John] USDA Forest Serv Savannah River, New Ellenton, SC 29809 USA. [Naeher, Luke; Adetona, Olorunfemi] Univ Georgia, Coll Publ Hlth, Athens, GA 30602 USA. [Eddy, Teresa] Savannah River Nucl Solut, Aiken, SC 29801 USA. RP Viner, BJ (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. EM brian.viner@srnl.doe.gov NR 49 TC 0 Z9 0 U1 1 U2 8 PU CSIRO PUBLISHING PI CLAYTON PA UNIPARK, BLDG 1, LEVEL 1, 195 WELLINGTON RD, LOCKED BAG 10, CLAYTON, VIC 3168, AUSTRALIA SN 1049-8001 EI 1448-5516 J9 INT J WILDLAND FIRE JI Int. J. Wildland Fire PY 2015 VL 24 IS 5 BP 723 EP 733 DI 10.1071/WF14181 PG 11 WC Forestry SC Forestry GA CN6WS UT WOS:000358575700013 ER PT J AU Bonta, M Limbeck, A Quarles, CD Oropeza, D Russo, RE Gonzalez, JJ AF Bonta, Maximilian Limbeck, Andreas Quarles, C. Derrick, Jr. Oropeza, Dayana Russo, Richard E. Gonzalez, Jhanis J. TI A metric for evaluation of the image quality of chemical maps derived from LA-ICP-MS experiments SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY LA English DT Article ID INDUCTIVELY-COUPLED PLASMA; FEMTOSECOND LASER-ABLATION; MASS-SPECTROMETRY; RESOLUTION; SAMPLES; ZN; MN; FE; CU AB For laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) imaging experiments - as well as other techniques used for elemental or molecular mapping - the accordance of the measured distribution with the actual distribution is of utmost importance to guarantee reliability of the obtained images. In most experiments reported in the past, the experimental conditions have been chosen so that washout effects and signal carry-over are minimized by scanning the sample surface very slowly. Therefore, measurement times become very long and decently resolved images will require acquisition times of several hours up to more than one day. To increase the application range of LA-ICP-MS for imaging it is important to decrease the measurement times, which is best accomplished by increasing the scanning rates. However, depending on the instrumentation, this can lead to blurring and compromised image quality. In this work, we present a metric to compare the measured elemental distribution with their actual distribution based on a sample with visually distinguishable features. This approach allows quantitative determination of the image quality and enables comparison of multiple measurement conditions. This information can be used for method optimization, to get a reasonable tradeoff between image quality and measurement time. C1 [Bonta, Maximilian; Limbeck, Andreas] Vienna Univ Technol, Inst Chem Technol & Analyt, A-1040 Vienna, Austria. [Quarles, C. Derrick, Jr.; Russo, Richard E.; Gonzalez, Jhanis J.] Appl Spectra Inc, Fremont, CA 94538 USA. [Oropeza, Dayana; Russo, Richard E.; Gonzalez, Jhanis J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Gonzalez, JJ (reprint author), Appl Spectra Inc, Fremont, CA 94538 USA. EM jjgonzalez@lbl.gov OI Limbeck, Andreas/0000-0001-5042-2445 FU MEIBio PhD program at the Vienna University of Technology; Chemical Science Division, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX The authors want to thank Applied Spectra, Inc. for providing access to instrumentation at their facility that was crucial for performing the experiments. M.B. wants to thank the MEIBio PhD program at the Vienna University of Technology for providing a scholarship over the period of 2013-2016. The research at LBNL was supported by the Chemical Science Division, Office of Basic Energy Sciences, U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 24 TC 5 Z9 5 U1 3 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0267-9477 EI 1364-5544 J9 J ANAL ATOM SPECTROM JI J. Anal. At. Spectrom. PY 2015 VL 30 IS 8 BP 1809 EP 1815 DI 10.1039/c5ja00056d PG 7 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA CN5VX UT WOS:000358500800013 ER PT J AU Chen, WQ Zhang, J Long, GK Liu, Y Zhang, QC AF Chen, Wangqiao Zhang, Jing Long, Guankui Liu, Yi Zhang, Qichun TI From non-detectable to decent: replacement of oxygen with sulfur in naphthalene diimide boosts electron transport in organic thin-film transistors (OTFT) SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID FIELD-EFFECT TRANSISTORS; N-TYPE; HIGH-PERFORMANCE; HIGH-MOBILITY; SMALL MOLECULES; PHYSICAL-PROPERTIES; PERYLENE DIIMIDES; SEMICONDUCTORS; SENSORS; DESIGN AB Enhancing the electron mobility of organic conjugated materials without tedious modification or synthesis is highly desirable and practical. In this research, we demonstrated that the electron mobility of naphthalene diimide (NDI) in thin film transistors (TFTs) under ambient conditions can be dramatically enhanced through a simple step reaction by replacing oxygen atoms with sulfur atoms. The electron mobilities of the as-prepared compounds range from non-detectable (parent NDI), to 3.0 x 10(-4) cm(2) V-1 s(-1) (NDI-1S), 3.0 x 10(-3) cm(2) V-1 s(-1) (NDI-3S), 3.7 x 10(-3) cm(2) V-1 s(-1) (NDI-2S-cis), and 0.01 cm(2) V-1 s(-1) (NDI-2S-trans) with on/off ratios as high as 4 x 10(5). Our primary result suggests that thionation could be a promising method to tune the band position and bandgap of organic semiconductors for high performance TFTs. C1 [Chen, Wangqiao; Zhang, Jing; Long, Guankui; Zhang, Qichun] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore. [Chen, Wangqiao; Zhang, Qichun] Nanyang Technol Univ, Inst Sports Res, Singapore 639798, Singapore. [Liu, Yi] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Zhang, Qichun] Nanyang Technol Univ, Sch Phys & Math Sci, Div Chem & Biol Chem, Singapore 637371, Singapore. RP Zhang, QC (reprint author), Nanyang Technol Univ, Sch Mat Sci & Engn, 50 Nanyang Ave, Singapore 639798, Singapore. EM qczhang@ntu.edu.sg RI zhang, qichun/A-2253-2011; OI Long, Guankui/0000-0002-1826-3736 FU AcRF Tier 1 from MOE [RG 133/14]; MOE Tier 2 [ARC 20/12, ARC 2/13]; CREATE program (Nanomaterials for Energy and Water Management) from NRF, Singapore FX Q.Z. thanks the financial support from AcRF Tier 1 (RG 133/14) from MOE, MOE Tier 2 (ARC 20/12 and ARC 2/13), and CREATE program (Nanomaterials for Energy and Water Management) from NRF, Singapore. NR 44 TC 19 Z9 19 U1 8 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 EI 2050-7534 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2015 VL 3 IS 31 BP 8219 EP 8224 DI 10.1039/c5tc01519g PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CN8YZ UT WOS:000358733400027 ER PT J AU Charalampidis, EG Li, F Chong, C Yang, J Kevrekidis, PG AF Charalampidis, E. G. Li, F. Chong, C. Yang, J. Kevrekidis, P. G. TI Time-Periodic Solutions of Driven-Damped Trimer Granular Crystals SO MATHEMATICAL PROBLEMS IN ENGINEERING LA English DT Article ID NONLINEAR RESONANCES; DISCRETE BREATHERS; SOLITARY WAVES; DIMER CHAINS; DYNAMICS; LATTICES; GENERATION; MODES AB We consider time-periodic structures of granular crystals consisting of alternate chrome steel (S) and tungsten carbide (W) spherical particles where each unit cell follows the pattern of a 2 :1 trimer: S-W-S. The configuration at the left boundary is driven by a harmonic in-time actuation with given amplitude and frequency while the right one is a fixed wall. Similar to the case of a dimer chain, the combination of dissipation, driving of the boundary, and intrinsic nonlinearity leads to complex dynamics. For fixed driving frequencies in each of the spectral gaps, we find that the nonlinear surface modes and the states dictated by the linear drive collide in a saddle-node bifurcation as the driving amplitude is increased, beyond which the dynamics of the system becomes chaotic. While the bifurcation structure is similar for solutions within the first and second gap, those in the first gap appear to be less robust. We also conduct a continuation in driving frequency, where it is apparent that the nonlinearity of the system results in a complex bifurcation diagram, involving an intricate set of loops of branches, especially within the spectral gap. The theoretical findings are qualitatively corroborated by the experimental full-field visualization of the time-periodic structures. C1 [Charalampidis, E. G.] Aristotle Univ Thessaloniki, Fac Engn, Sch Civil Engn, Thessaloniki 54124, Greece. [Charalampidis, E. G.; Chong, C.; Kevrekidis, P. G.] Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA. [Li, F.; Yang, J.] Univ Washington, Aeronaut & Astronaut, Seattle, WA 98195 USA. [Chong, C.] ETH, Swiss Fed Inst Technol, Dept Mech & Proc Engn D MAVT, CH-8092 Zurich, Switzerland. [Kevrekidis, P. G.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87544 USA. [Kevrekidis, P. G.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. RP Li, F (reprint author), Univ Washington, Aeronaut & Astronaut, Seattle, WA 98195 USA. EM lif@ciomp.ac.cn FU National Science Foundation (NSF) [CMMI-1000337, DMS-1312856]; ERC; US-AFOSR [FA9550-12-1-0332]; U.S. Department of Energy; ETH Zurich Foundation [ESC-A 06-14]; NSF [CMMI-1414748]; US-ONR [N000141410388]; FP7-People [IRSES-606096] FX E. G. Charalampidis gratefully acknowledges financial support from the FP7-People IRSES-606096: "Topological Solitons, from Field Theory to Cosmos". P. G. Kevrekidis acknowledges support from the National Science Foundation (NSF) under Grants CMMI-1000337 and DMS-1312856, from the ERC and FP7-People under Grant IRSES-606096, and from the US-AFOSR under Grant FA9550-12-1-0332. P. G. Kevrekidis's work at Los Alamos is supported in part by the U.S. Department of Energy. C. Chong was partially supported by the ETH Zurich Foundation through the Seed Project ESC-A 06-14. F. Li and J. Yang thank the support of the NSF (CMMI-1414748) and the US-ONR (N000141410388). E. G. Charalampidis and C. Chong thank M. O. Williams (PACM, Princeton University) for insight regarding the AUTO codes used for the bifurcation analysis performed in this work. NR 50 TC 1 Z9 1 U1 2 U2 6 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1024-123X EI 1563-5147 J9 MATH PROBL ENG JI Math. Probl. Eng. PY 2015 AR 830978 DI 10.1155/2015/830978 PG 15 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA CN6HE UT WOS:000358534400001 ER PT J AU Wang, R Xue, XY Lu, WC Liu, HW Lai, C Xi, K Che, YK Liu, JQ Guo, SJ Yang, DJ AF Wang, Rui Xue, Xuyan Lu, Wencai Liu, Hongwei Lai, Chao Xi, Kai Che, Yanke Liu, Jingquan Guo, Shaojun Yang, Dongjiang TI Tuning and understanding the phase interface of TiO2 nanoparticles for more efficient lithium ion storage SO NANOSCALE LA English DT Article ID ELECTROCHEMICAL PERFORMANCE; REDUCED GRAPHENE; ANODE MATERIAL; BATTERIES; NANOFIBERS; NANOTUBE; NANOCOMPOSITES; PHOTOACTIVITY; ADSORPTION; NANOSHEETS AB We demonstrate that mixed-phase anatase-TiO2(B) nanoparticles can provide an interesting interphase interface with atomic-level contact for achieving more efficient Li ion storage with high capacity and cycle life. A novel lithium storage mode - "interfacial charge storage in allomorphs" (ICSA) - plays an important role in enhancing Li ion storage. C1 [Wang, Rui; Xue, Xuyan; Lu, Wencai; Liu, Jingquan; Yang, Dongjiang] Qingdao Univ, Coll Chem & Environm Engn, Collaborat Innovat Ctr Marine Biomass Fibers Mat, Qingdao 266071, Peoples R China. [Liu, Hongwei] Univ Sydney, ACMM, Sydney, NSW 2006, Australia. [Lai, Chao] Jiangsu Normal Univ, Sch Chem & Chem Engn, Xuzhou 221116, Jiangsu, Peoples R China. [Xi, Kai] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 3QZ, England. [Che, Yanke] Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China. [Guo, Shaojun] Los Alamos Natl Lab, Phys Chem & Appl Spect, Los Alamos, NM 87545 USA. RP Guo, SJ (reprint author), Los Alamos Natl Lab, Phys Chem & Appl Spect, POB 1663, Los Alamos, NM 87545 USA. EM sguo@lanl.gov; d.yang@qdu.edu.cn RI Lai, Chao/A-8303-2014; Guo, Shaojun/A-8449-2011 OI Guo, Shaojun/0000-0002-5941-414X FU National Natural Science Foundation of China [21207073, 51173087]; Australia Research Council [130104759] FX This work was supported by the National Natural Science Foundation of China (No. 21207073 and 51173087) and the Australia Research Council Discovery Project (No. 130104759). NR 35 TC 12 Z9 12 U1 7 U2 49 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 30 BP 12833 EP 12838 DI 10.1039/c5nr02582f PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CN7LE UT WOS:000358615200008 PM 26172091 ER PT S AU Shuster, J Marsden, S MaClean, LCW Ball, J Bolin, T Southam, G AF Shuster, Jeremiah Marsden, Sian MaClean, Lachlan C. W. Ball, James Bolin, Trudy Southam, Gordon BE Jenkin, GRT Lusty, PAJ McDonald, I Smith, MP Boyce, AJ Wilkinson, JJ TI The immobilization of gold from gold (III) chloride by a halophilic sulphate-reducing bacterial consortium SO ORE DEPOSITS IN AN EVOLVING EARTH SE Geological Society Special Publication LA English DT Article; Book Chapter ID X-RAY; FILAMENTOUS CYANOBACTERIA; IN-VITRO; DEPOSITION; AUSTRALIA; COMPLEXES; MINERALS; BIOFILMS; CALCRETE; PYRITE AB A consortium containing halophilic, dissimilatory sulphate-reducing bacteria was enriched from Basque Lake #1, located near Ashcroft, British Columbia, Canada to evaluate the role these bacteria have on the immobilization of soluble gold. The consortium immobilized increasing amounts of gold from gold (III) chloride solutions, under saline to hypersaline conditions, over time. Gold (III) chloride was reduced to elemental gold in all experimental systems. Salinity did not affect gold immobilization. Scanning electron microscopy and transmission electron microscopy demonstrated that reduced gold (III) chloride was immobilized as c. 3-10 nm gold colloids and c. 100 nm colloidal aggregates at the fluid-biofilm interface. The precipitation of gold at this organic interface protected cells within the biofilm from the 'toxic effect' of ionic gold. Analysis of these experimental systems using X-ray absorption near-edge spectroscopy confirmed that elemental gold with varying colloidal sizes formed within minutes. The immobilization of gold by halophilic sulphate-reducing bacteria highlights a possible role for the biosphere in 'intercepting' mobile gold complexes within natural, hydraulic flow paths. Based on the limited toxicity demonstrated in this experimental model, significant concentrations of elemental gold could accumulate over geological time in natural systems where soluble gold concentrations are more dilute and presumably 'non-toxic' to the biosphere. C1 [Shuster, Jeremiah] Univ Western Ontario, Dept Earth Sci, London, ON N6A 5B7, Canada. [Marsden, Sian] Queens Univ, Dept Geol Sci, Kingston, ON K7L 3N6, Canada. [MaClean, Lachlan C. W.] Univ Saskatchewan, Canadian Light Source Inc, Saskatoon, SK S7N 0X4, Canada. [Ball, James] John F Ross Collegiate Vocat Inst, Dept Phys, Guelph, ON N1E 4H1, Canada. [Bolin, Trudy] Argonne Natl Lab, Adv Photon Source, CMC XOR Sect 9, Argonne, IL 60439 USA. [Southam, Gordon] Univ Queensland, Sch Earth Sci, St Lucia, Qld 4072, Australia. RP Shuster, J (reprint author), Univ Western Ontario, Dept Earth Sci, London, ON N6A 5B7, Canada. EM jshuster@uwo.ca OI Shuster, Jeremiah/0000-0002-9839-6618 NR 62 TC 1 Z9 1 U1 3 U2 3 PU GEOLOGICAL SOC PUBLISHING HOUSE PI BATH PA UNIT 7, BRASSMILL ENTERPRISE CTR, BRASSMILL LANE, BATH BA1 3JN, AVON, ENGLAND SN 0305-8719 BN 978-1-86239-626-5 J9 GEOL SOC SPEC PUBL JI Geol. Soc. Spec. Publ. PY 2015 VL 393 BP 249 EP 263 DI 10.1144/SP393.2 PG 15 WC Geology SC Geology GA BD2NG UT WOS:000358931400010 ER PT S AU Amole, C Ardid, M Asner, DM Baxter, D Behnke, E Bhattacharjee, P Borsodi, H Bou-Cabo, M Brice, SJ Broemmelsiek, D Clark, K Collar, JI Cooper, PS Crisler, M Dahl, CE Das, M Debris, F Dhungana, N Farine, J Felis, I Filgas, R Fines-Neuschild, M Girard, F Giroux, G Hai, M Hall, J Harris, O Jackson, CM Jin, M Krauss, C Lafreniere, M Laurin, M Lawson, I Levine, I Lippincott, WH Mann, E Martin, JP Maurya, D Mitra, P Neilson, R Noble, AJ Plante, A Podviyanuk, R Priya, S Robinson, AE Ruschman, M Scallon, O Seth, S Sonnenschein, A Starinski, N Stekl, I Vazquez-Jauregui, E Wells, J Wichoski, U Zacek, V Zhang, J AF Amole, C. Ardid, M. Asner, D. M. Baxter, D. Behnke, E. Bhattacharjee, P. Borsodi, H. Bou-Cabo, M. Brice, S. J. Broemmelsiek, D. Clark, K. Collar, J. I. Cooper, P. S. Crisler, M. Dahl, C. E. Das, M. Debris, F. Dhungana, N. Farine, J. Felis, I. Filgas, R. Fines-Neuschild, M. Girard, F. Giroux, G. Hai, M. Hall, J. Harris, O. Jackson, C. M. Jin, M. Krauss, C. Lafreniere, M. Laurin, M. Lawson, I. Levine, I. Lippincott, W. H. Mann, E. Martin, J. P. Maurya, D. Mitra, P. Neilson, R. Noble, A. J. Plante, A. Podviyanuk, R. Priya, S. Robinson, A. E. Ruschman, M. Scallon, O. Seth, S. Sonnenschein, A. Starinski, N. Stekl, I. Vazquez-Jauregui, E. Wells, J. Wichoski, U. Zacek, V. Zhang, J. CA PICO Collaboration BE Bravina, L Foka, Y Kabana, S TI PICASSO, COUPP and PICO - search for dark matter with bubble chambers SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE ID DETECTORS AB The PICASSO and COUPP collaborations use superheated liquid detectors to search for cold dark matter through the direct detection of weakly interacting massive particles (WIMPs). These experiments, located in the underground laboratory of SNOLAB, Canada, detect phase transitions triggered by nuclear recoils in the keV range induced by interactions with WIMPs. We present details of the construction and operation of these detectors as well as the results, obtained by several years of observations. We also introduce PICO, a joint effort of the two collaborations to build a second generation ton-scale bubble chamber with 250 liters of active liquid. C1 [Amole, C.] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. [Ardid, M.; Bou-Cabo, M.; Felis, I.] Univ Politecn Valencia, IGIC, Gandia 46730, Spain. [Asner, D. M.; Hall, J.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Baxter, D.; Dahl, C. E.; Jin, M.; Zhang, J.] Northwestern Univ, Dept Phys, Evanston, IL 60208 USA. [Behnke, E.; Borsodi, H.; Harris, O.; Levine, I.; Mann, E.; Wells, J.] Indiana Univ, Dept Phys, South Bend, IN 46634 USA. [Bhattacharjee, P.; Das, M.; Seth, S.] Saha Inst Nucl Phys, Astroparticle Phys & Cosmol Div, Kolkata 700064, India. [Brice, S. J.; Broemmelsiek, D.; Cooper, P. S.; Crisler, M.; Lippincott, W. H.; Ruschman, M.; Sonnenschein, A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Clark, K.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Collar, J. I.; Hai, M.; Neilson, R.; Robinson, A. E.] Univ Chicago, Enrico Fermi Inst, KICP, Chicago, IL 60637 USA. [Collar, J. I.; Hai, M.; Neilson, R.; Robinson, A. E.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Debris, F.; Fines-Neuschild, M.; Girard, F.; Jackson, C. M.; Lafreniere, M.; Laurin, M.; Martin, J. P.; Plante, A.; Scallon, O.; Starinski, N.; Zacek, V.] Univ Montreal, Dept Phys, Montreal, PQ H3C 3J7, Canada. [Dhungana, N.; Farine, J.; Lawson, I.; Podviyanuk, R.; Scallon, O.; Vazquez-Jauregui, E.; Wichoski, U.] Laurentian Univ, Dept Phys, Sudbury, ON P3E 2C6, Canada. [Filgas, R.; Stekl, I.] Czech Tech Univ, Inst Expt & Appl Phys, Prague 12800, Czech Republic. [Krauss, C.; Mitra, P.] Univ Alberta, Dept Phys, Edmonton, AB T6G 2G7, Canada. [Lawson, I.; Vazquez-Jauregui, E.] SNOLAB, Lively, ON P3Y 1N2, Canada. [Maurya, D.; Priya, S.] Virginia Tech, Ctr Intelligent Mat Syst & Struct, Blacksburg, VA 24061 USA. [Neilson, R.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. RP Amole, C (reprint author), Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. EM robert.filgas@utef.cvut.cz RI cabo, bou/N-2076-2014; OI Dahl, Carl Eric/0000-0003-1637-2346 NR 18 TC 0 Z9 0 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 04020 DI 10.1051/epjconf/20159504020 PG 8 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400083 ER PT S AU Bardeen, MG AF Bardeen, Marjorie G. BE Bravina, L Foka, Y Kabana, S TI Engaging young people with our science SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE AB Communication, education and outreach are increasingly important elements of the particle physics research agenda as acknowledged in recent European Strategy and U.S. Community Summer Study reports. These efforts help develop the next generation of researchers and a scientifically literate citizenry. We describe some examples that engage young people with our science. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Bardeen, MG (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 02001 DI 10.1051/epjconf/20159502001 PG 7 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400016 ER PT S AU Bonechi, L Adriani, O Berti, E Bongi, M Castellini, G D'Alessandro, R Del Prete, M Haguenauer, M Itow, Y Kasahara, K Makino, Y Masuda, K Matsubara, Y Matsubayashi, E Menjo, H Mitsuka, G Muraki, Y Okuno, Y Papini, P Perrot, AL Ricciarini, S Sako, T Sakurai, N Shimizu, Y Sugiura, Y Suzuki, T Tamura, T Tiberio, A Torii, S Tricomi, A Turner, WC Yoshida, K Zhou, QD AF Bonechi, L. Adriani, O. Berti, E. Bongi, M. Castellini, G. D'Alessandro, R. Del Prete, M. Haguenauer, M. Itow, Y. Kasahara, K. Makino, Y. Masuda, K. Matsubara, Y. Matsubayashi, E. Menjo, H. Mitsuka, G. Muraki, Y. Okuno, Y. Papini, P. Perrot, A-L. Ricciarini, S. Sako, T. Sakurai, N. Shimizu, Y. Sugiura, Y. Suzuki, T. Tamura, T. Tiberio, A. Torii, S. Tricomi, A. Turner, W. C. Yoshida, K. Zhou, Q. D. BE Bravina, L Foka, Y Kabana, S TI Latest LHCf results and preparation to the LHC run for 13 TeV proton-proton interactions SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE ID PHOTON ENERGY-SPECTRA; COLLISIONS AB The LHCf experiment is a CERN experiment dedicated to forward physics which is optimized to measure the neutral particle flow at extreme pseudo-rapidity values, ranging from 8.4 up to infinity. LHCf results are extremely important for the calibration of the hadronic interaction models used for the study of the development of atmospheric showers in the Earth atmosphere. Starting from the recent run of proton-Lead nucleus interactions at LHC, the LHCf and ATLAS collaborations have performed a common data taking which allows a combined study of the central and forward regions of the interaction. The latest results of LHCf, the upgrade of the detectors for the next 6.5 TeV + 6.5 TeV proton-proton run and the status of the LHCf-ATLAS common activities are summarized in this paper. C1 [Bonechi, L.; Adriani, O.; Bongi, M.; D'Alessandro, R.; Del Prete, M.; Papini, P.; Ricciarini, S.] INFN Sect Florence, Florence, Italy. [Adriani, O.; Berti, E.; Bongi, M.; D'Alessandro, R.; Del Prete, M.; Mitsuka, G.; Tamura, T.] Univ Florence, I-50121 Florence, Italy. [Castellini, G.; Ricciarini, S.] IFAC CNR, Sesto Fiorentino, FI, Italy. [Haguenauer, M.] Ecole Polytech, F-91128 Palaiseau, France. [Itow, Y.; Makino, Y.; Masuda, K.; Matsubara, Y.; Matsubayashi, E.; Mitsuka, G.; Muraki, Y.; Okuno, Y.; Sako, T.; Sugiura, Y.; Zhou, Q. D.] Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi 4648601, Japan. [Itow, Y.; Sako, T.; Sakurai, N.] Nagoya Univ, Kobayashi Maskawa Inst Origin Particles & Univers, Nagoya, Aichi 4648601, Japan. [Kasahara, K.; Shimizu, Y.; Suzuki, T.; Torii, S.] Waseda Univ, RISE, Tokyo, Japan. [Menjo, H.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan. [Perrot, A-L.] CERN, Meyrin, Switzerland. [Tamura, T.] Kanagawa Univ, Yokohama, Kanagawa, Japan. [Tricomi, A.] INFN Sect Catania, Catania, Italy. [Tricomi, A.] Univ Catania, I-95124 Catania, Italy. [Turner, W. C.] LBNL, Berkeley, CA USA. [Yoshida, K.] Shibaura Inst Technol, Tokyo 108, Japan. RP Bonechi, L (reprint author), INFN Sect Florence, Florence, Italy. EM Lorenzo.Bonechi@fi.infn.it RI Bongi, Massimo/L-9417-2015; OI Bongi, Massimo/0000-0002-6050-1937; Ricciarini, Sergio Bruno/0000-0001-6176-3368 NR 9 TC 0 Z9 0 U1 2 U2 4 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 04010 DI 10.1051/epjconf/20159504010 PG 7 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400073 ER PT S AU Giachero, A Artusa, DR Avignone, FT Azzolini, O Balata, M Banks, TI Bari, G Beeman, J Bellini, F Bersani, A Biassoni, M Brofferio, C Bucci, C Cai, XZ Camacho, A Caminata, A Canonica, L Cao, XG Capelli, S Cappelli, L Carbone, L Cardani, L Casali, N Cassina, L Chiesa, D Chott, N Clemenza, M Copello, S Cosmelli, C Cremonesi, O Creswick, RJ Cushman, JS Dafinei, I Dally, A Datskov, V Dell'Oro, S Deninno, MM Di Domizio, S di Vacri, ML Drobizheve, A Ejzak, L Fang, DQ Farach, HA Faverzani, M Fernandes, G Ferri, E Ferroni, F Fiorini, E Franceschi, MA Freedman, SJ Fujikawa, BK Gironi, L Giuliani, A Gorla, P Gotti, C Gutierrez, TD Haller, EE Han, K Heeger, KM Hennings-Yeomans, R Hickerson, KR Huang, HZ Kadel, R Kazkaz, K Keppel, G Kolomensky, YG Li, YL Ligi, C Lim, KE Liu, X Ma, YG Maiano, C Maino, M Martinez, M Maruyama, RH Mei, Y Moggi, N Morganti, S Napolitano, T Nastasi, M Nisi, S Nones, C Norman, EB Nucciotti, A O'Donnell, T Orio, F Orlandi, D Ouellet, JL Pagliarone, CE Pallavicini, M Pattavina, L Pavan, M Pedretti, M Pessina, G Pettinacci, V Piperno, G Pira, C Pirro, S Pozzi, S Previtali, E Rampazzo, V Rosenfeld, C Rusconi, C Sala, E Sangiorgio, S Scielzo, ND Sisti, M Smith, AR Taffarello, L Tenconi, M Terranova, F Tian, WD Tomei, C Trentalange, S Ventura, G Vignati, M Wang, BS Wang, HW Wielgus, L Wilson, J Winslow, LA Wise, T Woodcraft, A Zanotti, L Zarra, C Zhang, GQ Zhu, BX Zucchelli, S AF Giachero, A. Artusa, D. R. Avignone, F. T., III Azzolini, O. Balata, M. Banks, T. I. Bari, G. Beeman, J. Bellini, F. Bersani, A. Biassoni, M. Brofferio, C. Bucci, C. Cai, X. Z. Camacho, A. Caminata, A. Canonica, L. Cao, X. G. Capelli, S. Cappelli, L. Carbone, L. Cardani, L. Casali, N. Cassina, L. Chiesa, D. Chott, N. Clemenza, M. Copello, S. Cosmelli, C. Cremonesi, O. Creswick, R. J. Cushman, J. S. Dafinei, I. Dally, A. Datskov, V. Dell'Oro, S. Deninno, M. M. Di Domizio, S. di Vacri, M. L. Drobizheve, A. Ejzak, L. Fang, D. Q. Farach, H. A. Faverzani, M. Fernandes, G. Ferri, E. Ferroni, F. Fiorini, E. Franceschi, M. A. Freedman, S. J. Fujikawa, B. K. Gironi, L. Giuliani, A. Gorla, P. Gotti, C. Gutierrez, T. D. Haller, E. E. Han, K. Heeger, K. M. Hennings-Yeomans, R. Hickerson, K. R. Huang, H. Z. Kadel, R. Kazkaz, K. Keppel, G. Kolomensky, Yu. G. Li, Y. L. Ligi, C. Lim, K. E. Liu, X. Ma, Y. G. Maiano, C. Maino, M. Martinez, M. Maruyama, R. H. Mei, Y. Moggi, N. Morganti, S. Napolitano, T. Nastasi, M. Nisi, S. Nones, C. Norman, E. B. Nucciotti, A. O'Donnell, T. Orio, F. Orlandi, D. Ouellet, J. L. Pagliarone, C. E. Pallavicini, M. Pattavina, L. Pavan, M. Pedretti, M. Pessina, G. Pettinacci, V. Piperno, G. Pira, C. Pirro, S. Pozzi, S. Previtali, E. Rampazzo, V. Rosenfeld, C. Rusconi, C. Sala, E. Sangiorgio, S. Scielzo, N. D. Sisti, M. Smith, A. R. Taffarello, L. Tenconi, M. Terranova, F. Tian, W. D. Tomei, C. Trentalange, S. Ventura, G. Vignati, M. Wang, B. S. Wang, H. W. Wielgus, L. Wilson, J. Winslow, L. A. Wise, T. Woodcraft, A. Zanotti, L. Zarra, C. Zhang, G. Q. Zhu, B. X. Zucchelli, S. BE Bravina, L Foka, Y Kabana, S TI The CUORE and CUORE-0 experiments at Gran Sasso SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE ID DOUBLE-BETA DECAY; K OUTER CRYOSTAT; CONTAMINATION; VALIDATION AB The Cryogenic Underground Observatory for Rare Events (CUORE) is an experiment to search for neutrinoless double beta decay (0 nu beta beta) in Te-130 and other rare processes. CUORE is a cryogenic detector composed of 988 TeO2 bolometers for a total mass of about 741 kg. The detector is being constructed at the Laboratori Nazionali del Gran Sasso, Italy, where it will start taking data in 2015. If the target background of 0.01 counts/(keV.kg.y) will be reached, in five years of data taking CUORE will have an half life sensitivity around 1 x 10(26) y at 90% C.L. As a first step towards CUORE a smaller experiment CUORE-0, constructed to test and demonstrate the performances expected for CUORE, has been assembled and is running. The detector is a single tower of 52 CUORE-like bolometers that started taking data in spring 2013. The status and perspectives of CUORE will be discussed, and the first CUORE-0 data will be presented. C1 [Giachero, A.; Biassoni, M.; Brofferio, C.; Capelli, S.; Carbone, L.; Cassina, L.; Chiesa, D.; Clemenza, M.; Faverzani, M.; Ferri, E.; Fiorini, E.; Gironi, L.; Gotti, C.; Maiano, C.; Maino, M.; Nastasi, M.; Nucciotti, A.; Pavan, M.; Pozzi, S.; Sala, E.; Sisti, M.; Terranova, F.; Zanotti, L.] Univ Milano Bicocca, Dipartimento Fis, I-20126 Milan, Italy. [Giachero, A.; Biassoni, M.; Brofferio, C.; Capelli, S.; Carbone, L.; Cassina, L.; Chiesa, D.; Clemenza, M.; Cremonesi, O.; Datskov, V.; Faverzani, M.; Ferri, E.; Fiorini, E.; Gironi, L.; Gotti, C.; Maiano, C.; Maino, M.; Nastasi, M.; Nucciotti, A.; Pavan, M.; Pessina, G.; Pozzi, S.; Previtali, E.; Rusconi, C.; Sala, E.; Sisti, M.; Terranova, F.; Zanotti, L.] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20126 Milan, Italy. [Artusa, D. R.; Avignone, F. T., III; Chott, N.; Creswick, R. J.; Farach, H. A.; Rosenfeld, C.; Wilson, J.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Azzolini, O.; Camacho, A.; Keppel, G.; Pira, C.; Rampazzo, V.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Padua, Italy. [Balata, M.; Bucci, C.; Canonica, L.; Cappelli, L.; Casali, N.; Dell'Oro, S.; di Vacri, M. L.; Gorla, P.; Nisi, S.; Orlandi, D.; Pagliarone, C. E.; Pattavina, L.; Pirro, S.; Zarra, C.] Ist Nazl Fis Nucl, Lab Nazl Gran Sasso, I-67010 Laquila, Italy. [Banks, T. I.; Drobizheve, A.; Freedman, S. J.; Hennings-Yeomans, R.; Kolomensky, Yu. G.; O'Donnell, T.; Ouellet, J. L.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Banks, T. I.; Freedman, S. J.; Fujikawa, B. K.; Han, K.; Kadel, R.; Kolomensky, Yu. G.; Mei, Y.; Ouellet, J. L.; Smith, A. R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Bari, G.; Deninno, M. M.; Zucchelli, S.] Ist Nazl Fis Nucl, Sez Bologna, I-40127 Bologna, Italy. [Bari, G.; Beeman, J.; Haller, E. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Bellini, F.; Cardani, L.; Cosmelli, C.; Ferroni, F.; Piperno, G.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Bellini, F.; Cardani, L.; Cosmelli, C.; Dafinei, I.; Ferroni, F.; Morganti, S.; Orio, F.; Pettinacci, V.; Piperno, G.; Tomei, C.; Vignati, M.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy. [Copello, S.; Di Domizio, S.; Fernandes, G.; Pallavicini, M.] Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. [Bersani, A.; Caminata, A.; Copello, S.; Di Domizio, S.; Fernandes, G.; Pallavicini, M.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Cai, X. Z.; Cao, X. G.; Fang, D. Q.; Li, Y. L.; Ma, Y. G.; Tian, W. D.; Wang, H. W.; Zhang, G. Q.] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. [Cushman, J. S.; Heeger, K. M.; Lim, K. E.; Maruyama, R. H.; Wise, T.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Dally, A.; Ejzak, L.; Wielgus, L.; Wise, T.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Dell'Oro, S.] Gran Sasso Sci Inst, I-67100 Laquila, Italy. [Franceschi, M. A.; Ligi, C.; Napolitano, T.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Rome, Italy. [Giuliani, A.; Tenconi, M.] Ctr Spectrometrie Nucl & Spectrometrie Masse, F-91405 Orsay, France. [Gutierrez, T. D.] Calif Polytech State Univ San Luis Obispo, Dept Phys, San Luis Obispo, CA 93407 USA. [Haller, E. E.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Hickerson, K. R.; Huang, H. Z.; Liu, X.; Trentalange, S.; Winslow, L. A.; Zhu, B. X.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Kazkaz, K.; Norman, E. B.; Pedretti, M.; Sangiorgio, S.; Scielzo, N. D.; Wang, B. S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Martinez, M.] Univ Zaragoza, Lab Fis Nucl & Astroparticulas, E-50009 Zaragoza, Spain. [Moggi, N.; Zucchelli, S.] Univ Bologna, Dipartimento Fis, I-40127 Bologna, Italy. [Nones, C.] CEA Saclay, Serv Phys Particules, F-91191 Gif Sur Yvette, France. [Norman, E. B.; Wang, B. S.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Taffarello, L.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Ventura, G.] Univ Florence, Dipartimento Fis, I-50125 Florence, Italy. [Ventura, G.] Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. [Woodcraft, A.] Univ Edinburgh, Inst Astron, SUPA, Edinburgh EH9 3HJ, Midlothian, Scotland. [Cappelli, L.; Pagliarone, C. E.] Univ Cassino & Lazio Merid, Dipartimento Ingn Civile & Meccan, I-03043 Cassino, Italy. [Moggi, N.] Alma Mater Studiorum Univ Bologna, Dipartimento Sci Qualita Vita, I-47921 Bologna, Italy. RP Giachero, A (reprint author), Univ Milano Bicocca, Dipartimento Fis, I-20126 Milan, Italy. EM Andrea.Giachero@mib.infn.it RI Ma, Yu-Gang/M-8122-2013; Di Domizio, Sergio/L-6378-2014; Pallavicini, Marco/G-5500-2012; Martinez, Maria/K-4827-2012; Nucciotti, Angelo/I-8888-2012; Giachero, Andrea/I-1081-2013; Chiesa, Davide/H-7240-2014; Vignati, Marco/H-1684-2013; Ferri, Elena/L-8531-2014; Gironi, Luca/P-2860-2016; Pattavina, Luca/I-7498-2015; capelli, silvia/G-5168-2012; Bellini, Fabio/D-1055-2009; Casali, Nicola/C-9475-2017; OI Ma, Yu-Gang/0000-0002-0233-9900; Di Domizio, Sergio/0000-0003-2863-5895; Pallavicini, Marco/0000-0001-7309-3023; Martinez, Maria/0000-0002-9043-4691; Nucciotti, Angelo/0000-0002-8458-1556; Giachero, Andrea/0000-0003-0493-695X; Chiesa, Davide/0000-0003-1978-1727; Vignati, Marco/0000-0002-8945-1128; Ferri, Elena/0000-0003-1425-3669; Gironi, Luca/0000-0003-2019-0967; Pattavina, Luca/0000-0003-4192-849X; capelli, silvia/0000-0002-0300-2752; Bellini, Fabio/0000-0002-2936-660X; Casali, Nicola/0000-0003-3669-8247; Cushman, Jeremy/0000-0002-8491-3725; Cardani, Laura/0000-0001-5410-118X; Clemenza, Massimiliano/0000-0002-8064-8936; pavan, maura/0000-0002-9723-7834; Gotti, Claudio/0000-0003-2501-9608; Pozzi, Stefano/0000-0003-2986-1990 NR 17 TC 1 Z9 1 U1 4 U2 13 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 04024 DI 10.1051/epjconf/20159504024 PG 9 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400087 ER PT S AU Kaplan, DM Kirch, K Mancini, D Phillips, JD Phillips, TJ Roberts, TJ Terry, J AF Kaplan, Daniel M. Kirch, Klaus Mancini, Derrick Phillips, James D. Phillips, Thomas J. Roberts, Thomas J. Terry, Jeff BE Bravina, L Foka, Y Kabana, S TI Measuring antimatter gravity with muonium SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE ID GAUGE AB The gravitational acceleration of antimatter, (g) over bar, has never been directly measured and could bear importantly on our understanding of gravity, the possible existence of a fifth force, and the nature and early history of the universe. Only two avenues for such a measurement appear to be feasible: antihydrogen and muonium. The muonium measurement requires a novel, monoenergetic, low-velocity, horizontal muonium beam directed at an atom interferometer. The precision three-grating interferometer can be produced in silicon nitride or ultrananocrystalline diamond using state-of-the-art nanofabrication. The required precision alignment and calibration at the picometer level also appear to be feasible. With 100 nm grating pitch, a 10% measurement of (g) over bar can be made using some months of surface-muon beam time, and a 1% or better measurement with a correspondingly larger exposure. This could constitute the first gravitational measurement of leptonic matter, of 2nd-generation matter and, possibly, the first measurement of the gravitational acceleration of antimatter. C1 [Kaplan, Daniel M.; Phillips, Thomas J.; Roberts, Thomas J.; Terry, Jeff] IIT, Chicago, IL 60616 USA. [Kirch, Klaus] Paul Scherrer Inst, Villigen, Switzerland. [Kirch, Klaus] ETH, Zurich, Switzerland. [Mancini, Derrick] Argonne Natl Lab, Argonne, IL 60439 USA. [Phillips, James D.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Roberts, Thomas J.] Muons Inc, Batavia, IL 60510 USA. RP Kaplan, DM (reprint author), IIT, Chicago, IL 60616 USA. EM kaplan@iit.edu NR 10 TC 1 Z9 1 U1 3 U2 4 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 05008 DI 10.1051/epjconf/20159505008 PG 6 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400151 ER PT S AU Krutenkova, AP Abramov, BM Alekseev, PN Borodin, YA Bulychjov, SA Dukhovskoy, IA Khanov, AI Kulikov, VV Martemianov, MA Mashnik, SG Matsyuk, MA Turdakina, EN AF Krutenkova, A. P. Abramov, B. M. Alekseev, P. N. Borodin, Yu. A. Bulychjov, S. A. Dukhovskoy, I. A. Khanov, A. I. Kulikov, V. V. Martemianov, M. A. Mashnik, S. G. Matsyuk, M. A. Turdakina, E. N. BE Bravina, L Foka, Y Kabana, S TI Small-angle fragmentation of carbon ions at 0.6 GeV/n: a comparison with models of ion-ion interactions SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE AB Momentum distributions of hydrogen and helium isotopes from C-12 fragmentation at 3.5 degrees were measured at 0.6 GeV/nucleon in the FRAGM experiment at ITEP TWA heavy ion accelerator. The fragments were selected by correlated time of flight and dE/dx measurements with a magnetic spectrometer with scintillation counters. The main attention was drawn to the high momentum region where the fragment velocity exceeds the velocity of the projectile nucleus. The momentum spectra of fragments span the region of the fragmentation peak as well as the cumulative region. The differential cross sections cover six orders of magnitude. The distributions measured are compared to the predictions of three ion-ion interaction models: BC, QMD and LAQGSM03.03. The kinetic energy spectra of fragments in the projectile rest frame have an exponential shape with two temperatures, being defined by their slope parameters. C1 [Krutenkova, A. P.; Abramov, B. M.; Alekseev, P. N.; Borodin, Yu. A.; Bulychjov, S. A.; Dukhovskoy, I. A.; Khanov, A. I.; Kulikov, V. V.; Martemianov, M. A.; Matsyuk, M. A.; Turdakina, E. N.] ITEP, Moscow 117218, Russia. [Mashnik, S. G.] LANL, Los Alamos, NM 87545 USA. RP Krutenkova, AP (reprint author), ITEP, Moscow 117218, Russia. EM Anna.Krutenkova@itep.ru NR 17 TC 1 Z9 1 U1 1 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 04035 DI 10.1051/epjconf/20159504035 PG 7 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400098 ER PT S AU Leontsinis, S AF Leontsinis, Stefanos CA ATLAS Collaboration BE Bravina, L Foka, Y Kabana, S TI Performance of the muon identification and reconstruction with the ATLAS detector SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE AB We present the muon reconstruction algorithms used in ATLAS during the LHC run-1 and their performances in terms of efficiency, muon momentum scale and resolution. These performances have been measured using large calibration samples of J/Psi, Upsilon and Z decays, which allow to control the systematic uncertainties on efficiency and on momentum scale at the per-mille level. Corrections to be applied to simulation have been derived from the performances measurements and used in physics analyses. The impact of these correction on physics measurements, and the associated uncertainties, is also presented. C1 [Leontsinis, Stefanos] Natl Tech Univ Athens, GR-10682 Athens, Greece. [ATLAS Collaboration] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Leontsinis, S (reprint author), Natl Tech Univ Athens, GR-10682 Athens, Greece. EM stefanos.leontsinis@cern.ch NR 7 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 05009 DI 10.1051/epjconf/20159505009 PG 7 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400152 ER PT S AU Leontsinis, S AF Leontsinis, Stefanos CA ATLAS Collaboration BE Bravina, L Foka, Y Kabana, S TI Rare B decays and processes with the ATLAS detector SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE AB We present rare B decays and processes measured with the ATLAS detector. First, the associated production of vector boson + prompt J/psi that is a key process for understanding of quarkonium production mechanisms, and second, the rare B-s(0) -> mu(+)mu(-) decay, that due to its small branching fraction, is an excellent probe for physics beyond the standard model. C1 [Leontsinis, Stefanos] Natl Tech Univ Athens, GR-10682 Athens, Greece. [Leontsinis, Stefanos] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Leontsinis, S (reprint author), Natl Tech Univ Athens, GR-10682 Athens, Greece. EM stefanos.leontsinis@cern.ch NR 18 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 04036 DI 10.1051/epjconf/20159504036 PG 7 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400099 ER PT S AU Mannel, EJ AF Mannel, E. J. CA PHENIX Collaboration BE Bravina, L Foka, Y Kabana, S TI The future of PHENIX: upgrading to sPHENIX and beyond SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE AB sPHENIX is a major upgrade to the PHENIX detector enabling high-rate, large acceptance measurements of upsilons, direct photons and fully reconstructed jets in p-p, p-A and A-A collisions at the Relativistic Heavy Ion Collider (RHIC). These detailed measurements will probe the Quark Gluon Plasma near its transition temperature, in a region of strongest coupling. The sPHENIX detector consists of hadronic and electromagnetic calorimetry, and charged particle tracking in conjunction with the recently acquired 1.5 tesla BaBar super-conducting solenoid. The sPHENIX acceptance of 2 pi in azimuth and vertical bar eta vertical bar < 1.1 in pseudo-rapidity provides a factor of six improvement over the present PHENIX central spectrometer. Beyond being an excellent RHIC detector, sPHENIX provides an outstanding foundation for a detector focused on the physics of a possible future electron-ion collider at RHIC (eRHIC). In this talk we will discuss the physics potential of the sPHENIX detector, the design and technology choices for the sPHENIX calorimeters, and the conceptual design of a day-one detector for eRHIC. C1 [Mannel, E. J.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Mannel, EJ (reprint author), Brookhaven Natl Lab, POB 5000, Upton, NY 11973 USA. NR 5 TC 0 Z9 0 U1 1 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 04040 DI 10.1051/epjconf/20159504040 PG 6 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400103 ER PT S AU Nouicer, R AF Nouicer, Rachid CA Collaboration, P BE Bravina, L Foka, Y Kabana, S TI Probing properties of hot and dense QCD matter with heavy flavor in the PHENIX experiment at RHIC SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE ID QUARK-GLUON PLASMA; COLLISIONS; PERSPECTIVE AB Hadrons carrying heavy quarks, i.e. charm or bottom, are important probes of the hot and dense medium created in relativistic heavy ion collisions. Heavy quark-antiquark pairs are mainly produced in initial hard scattering processes of partons. While some of the produced pairs form bound quarkonia, the vast majority hadronize into particles carrying open heavy flavor. Heavy quark production has been studied by the PHENIX experiment at RHIC via measurements of single leptons from semi-leptonic decays in both the electron channel at mid-rapidity and in the muon channel at forward rapidity. A large suppression and azimuthal anisotropy of single electrons have been observed in Au + Au collisions at 200 GeV. These results suggest a large energy loss and flow of heavy quarks in the hot, dense matter. The PHENIX experiment has also measured J/psi production at 200 GeV in p + p, d + Au, Cu + Cu and Au + Au collisions, both at mid-and forward-rapidities, and additionally Cu + Au and U + U at forward-rapidities. In the most energetic collisions, more suppression is observed at forward rapidity than at central rapidity. This can be interpreted either as a sign of quark recombination, or as a hint of additional cold nuclear matter effects. The centrality dependence of nuclear modification factor, R-AA(p(T)), for J/psi in U + U collisions at root s(NN) = 193 GeV shows a similar trend to the lighter systems, Au + Au and Cu + Cu, at similar energy 200 GeV. C1 [Nouicer, Rachid] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Nouicer, R (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 27 TC 0 Z9 0 U1 0 U2 2 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 04046 DI 10.1051/epjconf/20159504046 PG 7 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400109 ER PT S AU Odyniec, G AF Odyniec, Grazyna BE Bravina, L Foka, Y Kabana, S TI Future of the beam energy scan program at RHIC SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE ID PLUS AU REACTIONS; EXCITATION-FUNCTION; K+ AB The first exploratory phase of a very successful Beam Energy Scan Program at RHIC was completed in 2014 with Au+Au collisions at energies ranging from 7 to 39 GeV. Data sets taken earlier extended the upper limit of energy range to the root S-NN of 200 GeV. This provided an initial look into the uncharted territory of the QCD phase diagram, which is considered to be the single most important graph of our field. The main results from BES phase I, although effected by large statistical errors (steeply increasing with decreasing energy), suggest that the highest potential for discovery of the QCD Critical Point lies bellow rsNN 20 GeV. Here, we discuss the plans and the preparation for phase II of the BES program, with an order of magnitude larger statistics, which is planned for 2018-2019. The BES II will focus on Au+Au collisions at root S-NN from 20 to 7 GeV in collider mode, and from root S-NN 7 to 3.5 GeV in the fixed target mode, which will be run concurrently with the collider mode operation. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Odyniec, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM G_Odyniec@lbl.gov NR 23 TC 5 Z9 5 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 03027 DI 10.1051/epjconf/20159503027 PG 10 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400049 ER PT S AU Shi, SS AF Shi, Shusu CA STAR Collaboration BE Bravina, L Foka, Y Kabana, S TI STAR highlights on heavy ion physics SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE ID NUCLEUS-NUCLEUS COLLISIONS; QUARK-GLUON PLASMA; COLLABORATION AB RHIC-STAR is a mid-rapidity collider experiment for studying high energy nuclear collisions. The main physics goals of STAR experiment are 1) studying the properties of the strongly coupled Quark Gluon Plasma 2) explore the QCD phase diagram structure. In these proceedings, we will review the recent results of heavy ion physics at STAR. C1 [Shi, Shusu] Cent China Normal Univ, Key Lab Quarks & Lepton Phys MOE, Wuhan 430079, Peoples R China. [Shi, Shusu] Cent China Normal Univ, Inst Particle Phys, Wuhan 430079, Peoples R China. [Shi, Shusu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Shi, SS (reprint author), Cent China Normal Univ, Key Lab Quarks & Lepton Phys MOE, Wuhan 430079, Peoples R China. EM shishusu@gmail.com NR 25 TC 0 Z9 0 U1 1 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 03035 DI 10.1051/epjconf/20159503035 PG 8 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400057 ER PT S AU Vellidis, C AF Vellidis, Costas CA CDF Collaboration DZero Collaboration BE Bravina, L Foka, Y Kabana, S TI Recent results from the Tevatron SO 3RD INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 3rd International Conference on New Frontiers in Physics (ICNFP) CY JUL 28-AUG 06, 2014 CL Kolymbari, GREECE AB The Tevatron p (p) over bar collider was shut down in 2011, after 10 years of high performance operation at a center-of-mass energy root s = 1.96 TeV in Run II. The two experiments, CDF and DZero, continue to analyze the collected data, aiming to extract all possible information regarding studies of the standard model and searches for new physics. A short review of some of the recent measurements at the Tevatron, and of the impact of the Tevatron program to high energy physics, is presented. C1 [Vellidis, Costas] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Vellidis, C (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM vellidis@fnal.gov NR 19 TC 0 Z9 0 U1 5 U2 5 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 95 AR 03036 DI 10.1051/epjconf/20159503036 PG 12 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1PP UT WOS:000358248400058 ER PT J AU Wohlfahrt, G Amelynck, C Ammann, C Arneth, A Bamberger, I Goldstein, AH Gu, L Guenther, A Hansel, A Heinesch, B Holst, T Hortnagl, L Karl, T Laffineur, Q Neftel, A McKinney, K Munger, JW Pallardy, SG Schade, GW Seco, R Schoon, N AF Wohlfahrt, G. Amelynck, C. Ammann, C. Arneth, A. Bamberger, I. Goldstein, A. H. Gu, L. Guenther, A. Hansel, A. Heinesch, B. Holst, T. Hoertnagl, L. Karl, T. Laffineur, Q. Neftel, A. McKinney, K. Munger, J. W. Pallardy, S. G. Schade, G. W. Seco, R. Schoon, N. TI An ecosystem-scale perspective of the net land methanol flux: synthesis of micrometeorological flux measurements SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID VOLATILE ORGANIC-COMPOUNDS; REACTION MASS-SPECTROMETRY; EDDY COVARIANCE MEASUREMENTS; PECTIN METHYLESTERASE ACTIVITY; PONDEROSA PINE PLANTATION; ATMOSPHERIC METHANOL; COMPOUND EMISSIONS; CARBON-DIOXIDE; LYCOPERSICON-ESCULENTUM; NONMETHANE HYDROCARBONS AB Methanol is the second most abundant volatile organic compound in the troposphere and plays a significant role in atmospheric chemistry. While there is consensus about the dominant role of living plants as the major source and the reaction with OH as the major sink of methanol, global methanol budgets diverge considerably in terms of source/sink estimates, reflecting uncertainties in the approaches used to model and the empirical data used to separately constrain these terms. Here we compiled micrometeorological methanol flux data from eight different study sites and reviewed the corresponding literature in order to provide a first cross-site synthesis of the terrestrial ecosystem-scale methanol exchange and present an independent data-driven view of the land-atmosphere methanol exchange. Our study shows that the controls of plant growth on production, and thus the methanol emission magnitude, as well as stomatal conductance on the hourly methanol emission variability, established at the leaf level, hold across sites at the ecosystem level. Unequivocal evidence for bi-directional methanol exchange at the ecosystem scale is presented. Deposition, which at some sites even exceeds methanol emissions, represents an emerging feature of ecosystem-scale measurements and is likely related to environmental factors favouring the formation of surface wetness. Methanol may adsorb to or dissolve in this surface water and eventually be chemically or biologically removed from it. Management activities in agriculture and forestry are shown to increase local methanol emission by orders of magnitude; however, they are neglected at present in global budgets. While contemporary net land methanol budgets are overall consistent with the grand mean of the micrometeorological methanol flux measurements, we caution that the present approach of simulating methanol emission and deposition separately is prone to opposing systematic errors and does not allow for full advantage to be taken of the rich information content of micrometeorological flux measurements. C1 [Wohlfahrt, G.] Univ Innsbruck, Inst Ecol, A-6020 Innsbruck, Austria. [Wohlfahrt, G.] European Acad Bolzano, Bolzano, Italy. [Amelynck, C.; Schoon, N.] Belgian Inst Space Aeron, Brussels, Belgium. [Ammann, C.; Neftel, A.] Res Stn Agroscope Climate & Air Pollut Grp, Zurich, Switzerland. [Arneth, A.; Bamberger, I.] Karlsruhe Inst Technol, IMK IFU, Garmisch Partenkirchen, Germany. [Bamberger, I.; Hoertnagl, L.] Swiss Fed Inst Technol, Inst Agr Sci, Zurich, Switzerland. [Goldstein, A. H.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. [Gu, L.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Guenther, A.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Hansel, A.] Univ Innsbruck, Inst Ion Phys & Appl Phys, A-6020 Innsbruck, Austria. [Heinesch, B.] Univ Liege, Exchanges Ecosyst Atmosphere, Dept Biosyst Engn BIOSE, Gembloux, Belgium. [Holst, T.] Lund Univ, Dept Phys Geog & Ecosyst Sci, Lund, Sweden. [Karl, T.] Univ Innsbruck, Inst Meteorol & Geophys, A-6020 Innsbruck, Austria. [Laffineur, Q.] Royal Meteorol Inst, Brussels, Belgium. [McKinney, K.; Munger, J. W.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Pallardy, S. G.] Univ Missouri, Dept Forestry, Columbia, MO USA. [Schade, G. W.] Texas A&M Univ, Dept Atmospher Sci, College Stn, TX USA. [Seco, R.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. RP Wohlfahrt, G (reprint author), Univ Innsbruck, Inst Ecol, A-6020 Innsbruck, Austria. EM georg.wohlfahrt@uibk.ac.at RI Seco, Roger/F-7124-2011; Karl, Thomas/D-1891-2009; Schade, Gunnar/G-9000-2012; Hansel, Armin/F-3915-2010; Wohlfahrt, Georg/D-2409-2009; Munger, J/H-4502-2013; Gu, Lianhong/H-8241-2014 OI Seco, Roger/0000-0002-2078-9956; Karl, Thomas/0000-0003-2869-9426; Schade, Gunnar/0000-0003-4327-0839; Hansel, Armin/0000-0002-1062-2394; Wohlfahrt, Georg/0000-0003-3080-6702; Munger, J/0000-0002-1042-8452; Gu, Lianhong/0000-0001-5756-8738 FU Austrian National Science Fund (FWF) [P19849-B16, P23267-B16, L518-N20]; Tyrolean Science Fund (TWF) [Uni-404/486, Uni-404/1083]; EU Industry-Academia Partnerships and Pathways Programme (IAPP) [218065]; Belgian Science Policy Office (BELSPO) through the IMPECVOC (Impact of Phenology and Environmental Conditions on BVOC Emissions from Forest Ecosystems) research project [SD/TE/03A]; Fundacion Ramon Areces; PNNL Laboratory Directed Research and Development programme; Office of Science (BER), US Department of Energy FX The work presented in this study received financial support from the following sources: the Austrian National Science Fund (FWF; P19849-B16, P23267-B16 and L518-N20), the Tyrolean Science Fund (TWF; Uni-404/486 and Uni-404/1083), the EU Industry-Academia Partnerships and Pathways Programme (IAPP; 218065), the Belgian Science Policy Office (BELSPO) (SD/TE/03A) through the IMPECVOC (Impact of Phenology and Environmental Conditions on BVOC Emissions from Forest Ecosystems) research project, the Fundacion Ramon Areces through a postdoctoral fellowship awarded to Roger Seco, and the PNNL Laboratory Directed Research and Development programme support for Alex Guenther. Flux measurements at Harvard Forest are a component of the Harvard Forest Long-term Ecological Research (LTER) site and are additionally supported by the Office of Science (BER), US Department of Energy. The authors would like to acknowledge the support of this work by Martin Graus, Markus Muller, Taina Ruuskanen, Ralf Schnitzhofer, Mario Walser, Alfred Unterberger, and Kevin P. Hosman. NR 89 TC 11 Z9 11 U1 2 U2 16 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 13 BP 7413 EP 7427 DI 10.5194/acp-15-7413-2015 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CM8UT UT WOS:000357978300016 ER PT J AU Liu, SQ Tang, ZR Sun, YG Colmenares, JC Xu, YJ AF Liu, Siqi Tang, Zi-Rong Sun, Yugang Colmenares, Juan Carlos Xu, Yi-Jun TI One-dimension-based spatially ordered architectures for solar energy conversion SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID BRANCHED NANOWIRE HETEROSTRUCTURES; PHOTOCATALYTIC H-2 PRODUCTION; FERMI-LEVEL EQUILIBRATION; ENHANCED FIELD-EMISSION; TEMPLATE-FREE SYNTHESIS; CARBON NANOTUBE HYBRID; VISIBLE-LIGHT; SEMICONDUCTOR NANOWIRES; HYDROGEN GENERATION; NANOROD ARRAYS AB The severe consequences of fossil fuel consumption have resulted in a need for alternative sustainable sources of energy. Conversion and storage of solar energy via a renewable method, such as photocatalysis, holds great promise as such an alternative. One-dimensional (1D) nanostructures have gained attention in solar energy conversion because they have a long axis to absorb incident sunlight yet a short radial distance for separation of photogenerated charge carriers. In particular, well-ordered spatially high dimensional architectures based on 1D nanostructures with well-defined facets or anisotropic shapes offer an exciting opportunity for bridging the gap between 1D nanostructures and the micro and macro world, providing a platform for integration of nanostructures on a larger and more manageable scale into high-performance solar energy conversion applications. In this review, we focus on the progress of photocatalytic solar energy conversion over controlled one-dimension-based spatially ordered architecture hybrids. Assembly and classification of these novel architectures are summarized, and we discuss the opportunity and future direction of integration of 1D materials into high-dimensional, spatially organized architectures, with a perspective toward improved collective performance in various artificial photoredox applications. C1 [Liu, Siqi; Xu, Yi-Jun] Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350002, Peoples R China. [Liu, Siqi; Tang, Zi-Rong; Xu, Yi-Jun] Fuzhou Univ, Coll Chem, Fuzhou 350108, Peoples R China. [Sun, Yugang] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Colmenares, Juan Carlos] Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland. RP Colmenares, JC (reprint author), Polish Acad Sci, Inst Phys Chem, Ul Kasprzaka 44-52, PL-01224 Warsaw, Poland. EM jcarloscolmenares@ichf.edu.pl; yjxu@fzu.edu.cn RI Sun, Yugang /A-3683-2010; Xu, Yi-Jun/B-2566-2016 OI Sun, Yugang /0000-0001-6351-6977; Xu, Yi-Jun/0000-0002-2195-1695 FU Key Project of National Natural Science Foundation of China [U1463204]; National Natural Science Foundation of China (NSFC) [20903023, 20903022, 21173045]; Award Program for Minjiang Scholar Professorship; Natural Science Foundation (NSF) of Fujian Province [2012J06003]; Program for Returned High-Level Overseas Chinese Scholars of Fujian province; Project Sponsored by the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry FX The support by Key Project of National Natural Science Foundation of China (U1463204), the National Natural Science Foundation of China (NSFC) (20903023, 20903022, 21173045), the Award Program for Minjiang Scholar Professorship, the Natural Science Foundation (NSF) of Fujian Province for Distinguished Young Investigator Grant (2012J06003), Program for Returned High-Level Overseas Chinese Scholars of Fujian province, and the Project Sponsored by the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry, is gratefully acknowledged. Dr Colmenares is grateful for the support from the Institute of Physical Chemistry of PAS. NR 210 TC 101 Z9 101 U1 32 U2 162 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 EI 1460-4744 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2015 VL 44 IS 15 BP 5053 EP 5075 DI 10.1039/c4cs00408f PG 23 WC Chemistry, Multidisciplinary SC Chemistry GA CN1ZI UT WOS:000358219300006 PM 25856797 ER PT J AU Albuquerque, GH Fitzmorris, RC Ahmadi, M Wannenmacher, N Thallapally, PK McGrail, BP Herman, GS AF Albuquerque, Gustavo H. Fitzmorris, Robert C. Ahmadi, Majid Wannenmacher, Nick Thallapally, Praveen K. McGrail, B. Peter Herman, Gregory S. TI Gas-liquid segmented flow microwave-assisted synthesis of MOF-74(Ni) under moderate pressures SO CRYSTENGCOMM LA English DT Article ID METAL-ORGANIC FRAMEWORKS; HYDROGEN STORAGE; CARBON-DIOXIDE; MICROFLUIDIC APPROACH; COORDINATION POLYMER; WATER-ADSORPTION; ROOM-TEMPERATURE; SURFACE-AREA; NANOPARTICLES; REACTOR AB The metal organic framework, MOF-74(Ni), was synthesized in a continuous flow microwave-assisted reactor obtaining a high space-time yield (similar to 90 g h(-1) L-1) and 96.5% conversion of reagents. Separation of the nucleation and growth steps was performed by using uniform and rapid microwave heating to induce nucleation, which allowed a substantial increase in conversion for shorter reaction times under mild pressure. High yields were achieved in minutes, as opposed to days for typical batch syntheses, with excellent control over the material's properties due to more uniform nucleation, and the separation of the nucleation and growth steps. Optimization of the microwave reactor parameters led to improvements in MOF-74(Ni) crystallinity, reagent conversion, and production rates. Differences in MOF-74(Ni) crystallinity were observed as smaller grains were formed when higher microwave zone temperatures were used. Crystallinity differences led to different final adsorption properties and surface areas. Herein we show that a continuous high space-time yield synthesis of MOF-74(Ni) allows control over nucleation using microwave heating. C1 [Albuquerque, Gustavo H.; Fitzmorris, Robert C.; Ahmadi, Majid; Wannenmacher, Nick; Herman, Gregory S.] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA. [Thallapally, Praveen K.; McGrail, B. Peter] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Albuquerque, GH (reprint author), Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA. EM greg.herman@oregonstate.edu OI Thallapally, Praveen Kumar/0000-0001-7814-4467 FU United States Department of Energy through ARPA-e; Department of the Navy FX This work was funded by the United States Department of Energy through ARPA-e and the Department of the Navy. NR 59 TC 6 Z9 6 U1 12 U2 49 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 2015 VL 17 IS 29 BP 5502 EP 5510 DI 10.1039/c5ce00848d PG 9 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CM9IH UT WOS:000358021400018 ER PT J AU Fernandez, CA Nune, SK Annapureddy, HV Dang, LX McGrail, BP Zheng, F Polikarpov, E King, DL Freeman, C Brooks, KP AF Fernandez, Carlos A. Nune, Satish K. Annapureddy, Harsha V. Dang, Liem X. McGrail, B. Peter Zheng, Feng Polikarpov, Evgueni King, David L. Freeman, Charles Brooks, Kriston P. TI Hydrophobic and moisture-stable metal-organic frameworks SO DALTON TRANSACTIONS LA English DT Article ID POST-SYNTHETIC MODIFICATION; ZEOLITIC IMIDAZOLATE FRAMEWORKS; SURFACE FREE-ENERGY; CARBON-DIOXIDE; POSTSYNTHETIC MODIFICATION; HYDROTHERMAL STABILITY; COORDINATION POLYMER; HYDROGEN STORAGE; CO2 CAPTURE; FLUE-GAS AB Metal-organic frameworks (MOFs) have proved to be very attractive for applications including gas storage, separation, sensing and catalysis. In particular, CO2 separation from flue gas in post-combustion processes is one of the main focuses of research among the scientific community. One of the major issues that are preventing the successful commercialization of these novel materials is their high affinity towards water that not only compromises gas sorption capacity but also the chemical stability. In this paper, we demonstrate a novel post-synthesis modification approach to modify MOFs towards increasing hydrophobic behaviour and chemical stability against moisture without compromising CO2 sorption capacity. Our approach consists of incorporating hydrophobic moieties on the external surface of the MOFs via physical adsorption. The rationale behind this concept is to increase the surface hydrophobicity in the porous materials without the need of introducing bulky functionalities inside the pore which compromises the sorption capacity toward other gases. We herein report preliminary results on routinely studied MOF materials [MIL-101(Cr) and NiDOBDC] demonstrating that the polymer-modified MOFs retain CO2 sorption capacity while reducing the water adsorption up to three times, with respect to the un-modified materials, via an equilibrium effect. Furthermore, the water stability of the polymer-functionalized MOFs is significantly higher than the water stability of the bare material. Molecular dynamic simulations demonstrated that this equilibrium effect implies a fundamental and permanent change in the water sorption capacity of MOFs. This approach can also be employed to render moisture stability and selectivity to MOFs that find applications in gas separations, catalysis and sensing where water plays a critical role in compromising MOF performance and recyclability. C1 [Fernandez, Carlos A.; Nune, Satish K.; Annapureddy, Harsha V.; Dang, Liem X.; McGrail, B. Peter; Zheng, Feng; Polikarpov, Evgueni; King, David L.; Freeman, Charles; Brooks, Kriston P.] Pacific NW Natl Lab, Energy & Environm Directorate, Hydrocarbon Proc Grp, Appl Funct Mat, Richland, WA 99352 USA. RP Fernandez, CA (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Hydrocarbon Proc Grp, Appl Funct Mat, Richland, WA 99352 USA. EM carlos.fernandez@pnnl.gov; satish.nune@pnnl.gov RI Zheng, Feng/C-7678-2009 OI Zheng, Feng/0000-0002-5427-1303 FU PNNL Energy Conversion Initiative; Office of Fossil Energy, U.S. Department of Energy (DOE); U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences and Biosciences; Battelle Memorial Institute for the Department of Energy [DE-AC05-76RL01830] FX This work was supported by PNNL Energy Conversion Initiative and Office of Fossil Energy, U.S. Department of Energy (DOE). The U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences and Biosciences funded the work performed by L. X. D. PNNL is a multiprogramming laboratory operated by Battelle Memorial Institute for the Department of Energy under Contract DE-AC05-76RL01830. NR 64 TC 4 Z9 4 U1 26 U2 119 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 2015 VL 44 IS 30 BP 13490 EP 13497 DI 10.1039/c5dt00606f PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CN1VM UT WOS:000358208400013 PM 25970023 ER PT S AU Jeong, JH Bea, YS Joung, M Kim, D Goodman, TP Sauter, O Sakamoto, K Kajiwara, K Oda, Y Kwak, JG Namkung, W Cho, MH Park, H Hosea, J Ellis, R AF Jeong, J. H. Bea, Y. S. Joung, M. Kim, D. Goodman, T. P. Sauter, O. Sakamoto, K. Kajiwara, K. Oda, Y. Kwak, J. G. Namkung, W. Cho, M. H. Park, H. Hosea, J. Ellis, R. BE Kubo, S TI Demonstration of sawtooth period control with EC waves in KSTAR plasma SO EC18 - 18TH JOINT WORKSHOP ON ELECTRON CYCLOTRON EMISSION AND ELECTRON CYCLOTRON RESONANCE HEATING SE EPJ Web of Conferences LA English DT Proceedings Paper CT 18th Joint Workshop on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating (EC) CY APR 22-25, 2014 CL Natl Inst Fus Sci, Nara, JAPAN SP Communicat & Power Ind, Toshiba Elect Tube & Device, Nara Visitors Bur HO Natl Inst Fus Sci ID CURRENT DRIVE; TOKAMAK; TCV AB The sawtooth period control in tokamak is important issue in recent years because the sawtooth crash can trigger TM/NTM instabilities and drive plasmas unstable. The control of sawtooth period by the modification of local current profile near the q=1 surface using ECCD has been demonstrated in a number of tokamaks [1, 2] including KSTAR. As a result, developing techniques to control the sawtooth period as a way of controlling the onset of NTM has been an important area of research in recent years [3]. In 2012 KSTAR plasma campaign, the sawtooth period control is carried out by the different deposition position of EC waves across the q=1 surface. The sawtooth period is shortened by on-axis co-ECCD (destabilization), and the stabilization of the sawtooth is also observed by off-axis co-ECCD at outside q=1 surface. In 2013 KSTAR plasma campaign, the sawtooth locking experiment with periodic forcing of 170 GHz EC wave is carried out to control the sawtooth period. The optimal target position which lengthens the sawtooth period is investigated by performing a scan of EC beam deposition position nearby q=1 surface at the toroidal magnetic field of 2.9 T and plasma current of 0.7 MA. The sawtooth locking by the modulated EC beam is successfully demonstrated as in [3-5] with the scan of modulation-frequency and duty-ratio at the low beta (8N-0.5) plasma. In this paper, the sawteeth behavior by the location of EC beam and the preliminary result of the sawtooth locking experiments in KSTAR will be presented. C1 [Jeong, J. H.; Bea, Y. S.; Joung, M.; Kwak, J. G.] Natl Fus Res Inst, Taejon, South Korea. [Kim, D.; Goodman, T. P.; Sauter, O.] Ecole Polytech Fed Lausanne, CRPP, CH-1015 Lausanne, Switzerland. [Sakamoto, K.; Kajiwara, K.; Oda, Y.] Japan Atom Energy Agcy, Naka, Ibaraki, Japan. [Namkung, W.; Cho, M. H.] POSTECH, Dept Phys, Pohang, South Korea. [Park, H.] UNIST, Sch Elect & Comp Engn, Ulsan, South Korea. [Hosea, J.; Ellis, R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Jeong, JH (reprint author), Natl Fus Res Inst, Taejon, South Korea. EM jhjeong@nfri.re.kr NR 19 TC 0 Z9 0 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 87 AR 02016 DI 10.1051/epjconf/20158702016 PG 5 WC Physics, Fluids & Plasmas; Physics, Multidisciplinary SC Physics GA BD1ST UT WOS:000358327700027 ER PT S AU Lohr, J Anderson, JP Cengher, M Ellis, RA Gorelov, YA Kolemen, E Lambot, T Murakami, DD Myrabo, L Noraky, S Parkin, KL Ponce, D Torrezan, A AF Lohr, J. Anderson, J. P. Cengher, M. Ellis, R. A. Gorelov, Y. A. Kolemen, E. Lambot, T. Murakami, D. D. Myrabo, L. Noraky, S. Parkin, K. L. Ponce, D. Torrezan, A. BE Kubo, S TI Performance History and Upgrades for the DIII-D Gyrotron Complex SO EC18 - 18TH JOINT WORKSHOP ON ELECTRON CYCLOTRON EMISSION AND ELECTRON CYCLOTRON RESONANCE HEATING SE EPJ Web of Conferences LA English DT Proceedings Paper CT 18th Joint Workshop on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating (EC) CY APR 22-25, 2014 CL Natl Inst Fus Sci, Nara, JAPAN SP Communicat & Power Ind, Toshiba Elect Tube & Device, Nara Visitors Bur HO Natl Inst Fus Sci AB The gyrotron installation on the DIII-D tokamak has been in operation at the second harmonic of the electron cyclotron resonance since the mid-1990s. Prior to that a large installation of ten 60 GHz tubes was operated at the fundamental resonance. The system has been upgraded regularly and is an everyday tool for experiments on DIII-D. C1 [Lohr, J.; Anderson, J. P.; Cengher, M.; Gorelov, Y. A.; Noraky, S.; Ponce, D.; Torrezan, A.] Gen Atom Co, San Diego, CA 92186 USA. [Ellis, R. A.; Kolemen, E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Lambot, T.; Parkin, K. L.] Carnegie Mellon Univ, Moffett Field, CA 94035 USA. [Murakami, D. D.] NASA, Expt Aerophys Branch, Ames Res Ctr, Moffett Field, CA 94035 USA. [Myrabo, L.] Lightcraft Technol Inc, Bennington, VT 05201 USA. RP Lohr, J (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM lohr@fusion.gat.com NR 5 TC 0 Z9 0 U1 1 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 87 AR 02009 DI 10.1051/epjconf/20158702009 PG 4 WC Physics, Fluids & Plasmas; Physics, Multidisciplinary SC Physics GA BD1ST UT WOS:000358327700020 ER PT S AU Pinsker, RI Austin, ME Ernst, DR Garofalo, AM Grierson, BA Hosea, JC Luce, TC Marinoni, A Mckee, GR Perkins, RJ Petty, CC Porkolab, M Rost, JC Schmitz, L Solomon, WM Taylor, G Turco, F AF Pinsker, R. I. Austin, M. E. Ernst, D. R. Garofalo, A. M. Grierson, B. A. Hosea, J. C. Luce, T. C. Marinoni, A. Mckee, G. R. Perkins, R. J. Petty, C. C. Porkolab, M. Rost, J. C. Schmitz, L. Solomon, W. M. Taylor, G. Turco, F. BE Kubo, S TI Application of ECH to the Study of Transport in ITER Baseline Scenario-like Discharges in DIII-D SO EC18 - 18TH JOINT WORKSHOP ON ELECTRON CYCLOTRON EMISSION AND ELECTRON CYCLOTRON RESONANCE HEATING SE EPJ Web of Conferences LA English DT Proceedings Paper CT 18th Joint Workshop on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating (EC) CY APR 22-25, 2014 CL Natl Inst Fus Sci, Nara, JAPAN SP Communicat & Power Ind, Toshiba Elect Tube & Device, Nara Visitors Bur HO Natl Inst Fus Sci ID SHEAR; TURBULENCE; PLASMA AB Recent DIII-D experiments in the ITER Baseline Scenario (IBS) have shown strong increases in fluctuations and correlated reduction of confinement associated with entering the electron-heating-dominated regime with strong electron cyclotron heating (ECH). The addition of 3.2 MW of 110 GHz EC power deposited at rho similar to 0.42 to IBS discharges with similar to 3 MW of neutral beam injection causes large increases in low-k and medium-k turbulent density fluctuations observed with Doppler backscatter (DBS), beam emission spectroscopy (BES) and phase-contrast imaging (PCI) diagnostics, correlated with decreases in the energy, particle, and momentum confinement times. Power balance calculations show the electron heat diffusivity chi(e) increases significantly in the mid-radius region 0.42 reduction on copper and silver electrodes. NR 36 TC 17 Z9 17 U1 14 U2 69 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 2015 VL 17 IS 29 BP 18924 EP 18936 DI 10.1039/c5cp03283k PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CN1VD UT WOS:000358207400007 PM 26103939 ER PT J AU Ortiz, BR Peng, HW Lopez, A Parilla, PA Lany, S Toberer, ES AF Ortiz, Brenden R. Peng, Haowei Lopez, Armando Parilla, Philip A. Lany, Stephan Toberer, Eric S. TI Effect of extended strain fields on point defect phonon scattering in thermoelectric materials SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID LATTICE THERMAL-CONDUCTIVITY; QUASI-RANDOM STRUCTURES; HALF-HEUSLER COMPOUNDS; SOLID-SOLUTIONS; DIELECTRICITY CONSTANTS; HETEROGENOUS SUBSTANCES; SEMICONDUCTOR ALLOYS; TRANSPORT-PROPERTIES; SNSE; CHEMISTRY AB The design of thermoelectric materials often involves the integration of point defects (alloying) as a route to reduce the lattice thermal conductivity. Classically, the point defect scattering strength follows from simple considerations such as mass contrast and the presence of induced strain fields (e.g. radius contrast, coordination changes). While the mass contrast can be easily calculated, the associated strain fields induced by defect chemistry are not readily predicted and are poorly understood. In this work, we use classical and first principles calculations to provide insight into the strain field component of phonon scattering from isoelectronic point defects. Our results also integrate experimental measurements on bulk samples of SnSe and associated alloys with S, Te, Ge, Sr and Ba. These efforts highlight that the strength and extent of the resulting strain field depends strongly on defect chemistry. Strain fields can have a profound impact on the local structure. For example, in alloys containing Ba, the strain fields have significant spatial extent (1 nm in diameter) and produce large shifts in the atomic equilibrium positions (up to 0.5 angstrom). Such chemical complexity suggests that computational assessment of point defects for thermal conductivity depression should be hindered. However, in this work, we present and verify several computational descriptors that correlate well with the experimentally measured strain fields. Furthermore, these descriptors are conceptually transparent and computationally inexpensive, allowing computation to provide a pivotal role in the screening of effective alloys. The further development of point defect engineering could complement or replace nanostructuring when optimizing the thermal conductivity, offering the benefits of thermodynamic stability, and providing more clearly defined defect chemistry. C1 [Ortiz, Brenden R.; Lopez, Armando; Toberer, Eric S.] Colorado Sch Mines, Golden, CO 80401 USA. [Peng, Haowei; Parilla, Philip A.; Lany, Stephan] Natl Renewable Energy Lab, Golden, CO USA. RP Ortiz, BR (reprint author), Colorado Sch Mines, Golden, CO 80401 USA. EM bortiz@mines.edu RI Peng, Haowei/K-4654-2012; OI Peng, Haowei/0000-0002-6502-8288; Lany, Stephan/0000-0002-8127-8885 FU US Department of Energy, within the Laboratory Directed Research and Development program [DE-AC36-08GO28308]; National Science Foundation [1334713] FX This work was supported by the US Department of Energy under contract No. DE-AC36-08GO28308 to NREL, within the Laboratory Directed Research and Development program. The use of high performance computing resources of NREL's Computational Science Center is gratefully acknowledged. E.S.T., B.R.O., and A.L. acknowledge support from the National Science Foundation under Grant 1334713. The authors thank Prashun Gorai, Lauryn Baranowski, and Vladan Stevanovic for their valuable discussions. NR 59 TC 8 Z9 8 U1 10 U2 77 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 2015 VL 17 IS 29 BP 19410 EP 19423 DI 10.1039/c5cp02174j PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CN1VD UT WOS:000358207400057 PM 26145414 ER PT J AU McMahon, JM Schatz, GC Gray, SK AF McMahon, Jeffrey M. Schatz, George C. Gray, Stephen K. TI Plasmonics in the ultraviolet with the poor metals Al, Ga, In, Sn, Tl, Pb, and Bi (vol 15, pg 5415, 2013) SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Correction ID OPTICAL-PROPERTIES; THALLIUM; GALLIUM; FILMS C1 [McMahon, Jeffrey M.; Schatz, George C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [McMahon, Jeffrey M.; Gray, Stephen K.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Gray, SK (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. EM gray@anl.gov NR 9 TC 1 Z9 1 U1 1 U2 14 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 2015 VL 17 IS 29 BP 19670 EP 19671 DI 10.1039/c5cp90112j PG 2 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CN1VD UT WOS:000358207400084 PM 26135550 ER PT S AU Bickel, DL AF Bickel, Douglas L. BE Ranney, KI Doerry, A Gilbreath, GC Hawley, CT TI Coherence Model for Building Layover in Interferometric SAR SO RADAR SENSOR TECHNOLOGY XIX; AND ACTIVE AND PASSIVE SIGNATURES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XIX; and Active and Passive Signatures VI CY APR 20-23, 2015 CL Baltimore, MD SP SPIE DE IFSAR; InSAR; antenna; building; layover AB The complex coherence function describes information that is necessary to create maps from interferometric synthetic aperture radar (InSAR). This coherence function is complicated by building layover. This paper presents a mathematical model for this complex coherence in the presence of building layover and shows how it can describe intriguing phenomena observed in real interferometric SAR data. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bickel, DL (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA. EM dlbicke@sandia.gov NR 13 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-577-3 J9 PROC SPIE PY 2015 VL 9461 AR 946121 DI 10.1117/12.2181678 PG 8 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1LU UT WOS:000358140900062 ER PT S AU Campbell, JB Wang, Q Ade-Bello, J Caudana, H Trujillo, NB Bhatta, I Dunkel, R Atwood, T Doerry, A Gerstle, WH Santhanam, B Hayat, MM AF Campbell, Justin B. Wang, Qi Ade-Bello, Jelili Caudana, Humberto Trujillo, Nicole B. Bhatta, Ishwor Dunkel, Ralf Atwood, Thomas Doerry, Armin Gerstle, Walter H. Santhanam, Balu Hayat, Majeed M. BE Ranney, KI Doerry, A Gilbreath, GC Hawley, CT TI SAR-based vibrometry using the fractional Fourier transform SO RADAR SENSOR TECHNOLOGY XIX; AND ACTIVE AND PASSIVE SIGNATURES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XIX; and Active and Passive Signatures VI CY APR 20-23, 2015 CL Baltimore, MD SP SPIE DE Vibration estimation; discrete fractional Fourier transform; extended Kalman filter; Fourier transform; subspace method; synthetic aperture radar; signal-to-clutter ratio ID RADAR AB A fundamental assumption when applying Synthetic Aperture Radar (SAR) to a ground scene is that all targets are motionless. If a target is not stationary, but instead vibrating in the scene, it will introduce a non-stationary phase modulation, termed the micro-Doppler effect, into the returned SAR signals. Previously, the authors proposed a pseudo-subspace method, a modification to the Discrete Fractional Fourier Transform (DFRFT), which demonstrated success for estimating the instantaneous accelerations of vibrating objects. However, this method may not yield reliable results when clutter in the SAR image is strong. Simulations and experimental results have shown that the DFRFT method can yield reliable results when the signal-to-clutter ratio (SCR) >8 dB. Here, we provide the capability to determine a target's frequency and amplitude in a low SCR environment by presenting two methods that can perform vibration estimations when SCR <3 dB. The first method is a variation and continuation of the subspace approach proposed previously in conjunction with the DFRFT. In the second method, we employ the dual-beam SAR collection architecture combined with the extended Kalman filter (EKF) to extract information from the returned SAR signals about the vibrating target. We also show the potential for extending this SAR-based capability to remotely detect and classify objects housed inside buildings or other cover based on knowing the location of vibrations as well as the vibration histories of the vibrating structures that house the vibrating objects. C1 [Campbell, Justin B.; Wang, Qi; Ade-Bello, Jelili; Atwood, Thomas; Doerry, Armin; Hayat, Majeed M.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA. [Campbell, Justin B.; Wang, Qi; Ade-Bello, Jelili; Bhatta, Ishwor; Atwood, Thomas; Doerry, Armin; Santhanam, Balu; Hayat, Majeed M.] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87131 USA. [Caudana, Humberto; Trujillo, Nicole B.; Gerstle, Walter H.] Univ New Mexico, Dept Civil Engn, Albuquerque, NM 87131 USA. [Dunkel, Ralf] Gen Atom Aeronaut Syst Inc, Poway, CA 92121 USA. [Atwood, Thomas; Doerry, Armin] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Campbell, JB (reprint author), Univ New Mexico, Ctr High Technol Mat, 1313 Goddard SE, Albuquerque, NM 87106 USA. EM campbellj@unm.edu; qwang@gmail.com; aadebell@unm.edu; b.caudana@gmail.com; nbtrujillo@unm.edu; bhattacg@gmail.com; dunkel@ga.com; tdatwoo@sandia.gov; awdoerr@sandia.gov; gerstle@unm.edu; bsanthan@ece.unm.edu; hayat@unm.edu NR 30 TC 0 Z9 0 U1 2 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-577-3 J9 PROC SPIE PY 2015 VL 9461 AR 94610O DI 10.1117/12.2180660 PG 11 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1LU UT WOS:000358140900020 ER PT S AU Doerry, AW AF Doerry, A. W. BE Ranney, KI Doerry, A Gilbreath, GC Hawley, CT TI Balancing I/Q data in radar range-Doppler images SO RADAR SENSOR TECHNOLOGY XIX; AND ACTIVE AND PASSIVE SIGNATURES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XIX; and Active and Passive Signatures VI CY APR 20-23, 2015 CL Baltimore, MD SP SPIE DE radar; balance; spurious; quadrature AB Modern high-performance radar systems' data is often rendered to distinguish between positive and negative frequencies necessitating complex data values, with real and imaginary constituents typically termed In-phase (I) and Quadrature (Q) elements respectively. Processing this data generally assumes well-balanced I/Q data, which may often be problematic due to non-ideal component and circuit behavior. We offer a number of techniques to mitigate the effects of I/Q imbalance. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA. EM awdoerr@sandia.gov NR 8 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-577-3 J9 PROC SPIE PY 2015 VL 9461 AR 94611Y DI 10.1117/12.2075745 PG 14 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1LU UT WOS:000358140900060 ER PT S AU Doerry, AW AF Doerry, A. W. BE Ranney, KI Doerry, A Gilbreath, GC Hawley, CT TI Comments on radar interference sources and mitigation techniques SO RADAR SENSOR TECHNOLOGY XIX; AND ACTIVE AND PASSIVE SIGNATURES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XIX; and Active and Passive Signatures VI CY APR 20-23, 2015 CL Baltimore, MD SP SPIE DE radar; interference; jamming; spoofing AB Radar Intelligence, Surveillance, and Reconnaissance (ISR) does not always involve cooperative or even friendly environments or targets. The environment in general, and an adversary in particular, may offer numerous characteristics and impeding techniques to diminish the effectiveness of a radar ISR sensor. These generally fall under the banner of jamming, spoofing, or otherwise interfering with the Electromagnetic (EM) signals required by the radar sensor. Consequently mitigation techniques are often prudent to retain efficacy of the radar sensor. We discuss in general terms a number of mitigation techniques. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA. EM awdoerr@sandia.gov NR 16 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-577-3 J9 PROC SPIE PY 2015 VL 9461 AR 94611X DI 10.1117/12.2075743 PG 8 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1LU UT WOS:000358140900059 ER PT S AU Doerry, AW AF Doerry, A. W. BE Ranney, KI Doerry, A Gilbreath, GC Hawley, CT TI Balancing radar receiver channels with commutation SO RADAR SENSOR TECHNOLOGY XIX; AND ACTIVE AND PASSIVE SIGNATURES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XIX; and Active and Passive Signatures VI CY APR 20-23, 2015 CL Baltimore, MD SP SPIE DE radar; channels; balancing; calibration; commutation AB The trend in high-performance ground-surveillance radar systems is towards employing multiple receiver channels of data. Often, key to performance is the ability to achieve and maintain balance between the radar channels. This can be quite problematic for high-performance radar modes. It is shown that commutation of radar receiver channels can be employed to facilitate channel balancing. Commutation is the switching, trading, toggling, or multiplexing of the channels between signal paths. Commutation allows modulating the imbalance energy away from the balanced energy in Doppler, where it can be mitigated with filtering. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA. EM awdoerr@sandia.gov NR 4 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-577-3 J9 PROC SPIE PY 2015 VL 9461 AR 94611W DI 10.1117/12.2075742 PG 11 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1LU UT WOS:000358140900058 ER PT S AU Doerry, AW Dubbert, DF Tise, BL AF Doerry, A. W. Dubbert, D. F. Tise, B. L. BE Ranney, KI Doerry, A Gilbreath, GC Hawley, CT TI Spurious effects of analog-to-digital conversion nonlinearities on radar range-Doppler maps SO RADAR SENSOR TECHNOLOGY XIX; AND ACTIVE AND PASSIVE SIGNATURES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XIX; and Active and Passive Signatures VI CY APR 20-23, 2015 CL Baltimore, MD SP SPIE DE radar; spurs; ADC; analog-to-digital; interference; nonlinearity AB High-performance radar operation, particularly Ground Moving Target Indicator (GMTI) radar modes, are very sensitive to anomalous effects of system nonlinearities. System nonlinearities generate harmonic spurs that at best degrade, and at worst generate false target detections. One significant source of nonlinear behavior is the Analog to Digital Converter (ADC). One measure of its undesired nonlinearity is its Integral Nonlinearity (INL) specification. We examine in this paper the relationship of INL to radar performance; in particular its manifestation in a range-Doppler map or image. C1 [Doerry, A. W.; Dubbert, D. F.; Tise, B. L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA. EM awdoerr@sandia.gov; dfdubbe@sandia.gov; bltise@sandia.gov NR 12 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-577-3 J9 PROC SPIE PY 2015 VL 9461 AR 94611V DI 10.1117/12.2075741 PG 16 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1LU UT WOS:000358140900057 ER PT S AU Musgrove, C West, JC AF Musgrove, Cameron West, James C. BE Ranney, KI Doerry, A Gilbreath, GC Hawley, CT TI Application of Equalization Notch to Improve Synthetic Aperture Radar Coherent Data Products SO RADAR SENSOR TECHNOLOGY XIX; AND ACTIVE AND PASSIVE SIGNATURES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XIX and Active and Passive Signatures VI CY APR 20-23, 2015 CL Baltimore, MD SP SPIE DE synthetic aperture radar; interference mitigation; coherent change detection ID SAR; INTERFEROMETRY; SUPPRESSION AB Interference and interference mitigation techniques degrade synthetic aperture radar (SAR) coherent data products. Radars utilizing stretch processing present a unique challenge for many mitigation techniques because the interference signal itself is modified through stretch processing from its original signal characteristics. Many sources of interference, including constant tones, are only present within the fast-time sample data for a limited number of samples, depending on the radar and interference bandwidth. Adaptive filtering algorithms to estimate and remove the interference signal that rely upon assuming stationary interference signal characteristics can be ineffective. An effective mitigation method, called notching, forces the value of the data samples containing interference to zero. However, as the number of data samples set to zero increases, image distortion and loss of resolution degrade both the image product and any second order image products. Techniques to repair image distortions, 1 are effective for point-like targets. However, these techniques are not designed to model and repair distortions in SAR image terrain. Good terrain coherence is important for SAR second order image products because terrain occupies the majority of many scenes. For the case of coherent change detection it is the terrain coherence itself that determines the quality of the change detection image. This paper proposes an unique equalization technique that improves coherence over existing notching techniques. First, the proposed algorithm limits mitigation to only the samples containing interference, unlike adaptive filtering algorithms, so the remaining samples are not modified. Additionally, the mitigation adapts to changing interference power such that the resulting correction equalizes the power across the data samples. The result is reduced distortion and improved coherence for the terrain. SAR data demonstrates improved coherence from the proposed equalization correction over existing notching methods for chirped interference sources. C1 [Musgrove, Cameron] Sandia Natl Labs, Albuquerque, NM 87185 USA. [West, James C.] Oklahoma State Univ, Stillwater, OK 74078 USA. RP Musgrove, C (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM cmusgro@sandia.gov; jwest@okstate.edu NR 23 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-577-3 J9 PROC SPIE PY 2015 VL 9461 AR 94610T DI 10.1117/12.2175587 PG 13 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1LU UT WOS:000358140900025 ER PT S AU Raynal, AM Dubbert, DF Burns, BL Hensley, WH AF Raynal, Ann Marie Dubbert, Dale F. Burns, Bryan L. Hensley, William H., Jr. BE Ranney, KI Doerry, A Gilbreath, GC Hawley, CT TI Radome Effects on Coherent Change Detection Radar Systems SO RADAR SENSOR TECHNOLOGY XIX; AND ACTIVE AND PASSIVE SIGNATURES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XIX and Active and Passive Signatures VI CY APR 20-23, 2015 CL Baltimore, MD SP SPIE DE SAR; CCD; Synthetic Aperture Radar; Coherent Change Detection; Radome AB A radome, or radar dome, protects a radar system from exposure to the elements. Unfortunately, radomes can affect the radiation pattern of the enclosed antenna. The co-design of a platform's radome and radar is ideal to mitigate any deleterious effects of the radome. However, maintaining structural integrity and other platform flight requirements, particularly when integrating a new radar onto an existing platform, often limits radome electrical design choices. Radars that rely heavily on phase measurements such as monopulse, interferometric, or coherent change detection (CCD) systems require particular attention be paid to components, such as the radome, that might introduce loss and phase variations as a function of the antenna scan angle. Material properties, radome wall construction, overall dimensions, and shape characteristics of a radome can impact insertion loss and phase delay, antenna beamwidth and sidelobe level, polarization, and ultimately the impulse response of the radar, among other things, over the desired radar operating parameters. The precision-guided munitions literature has analyzed radome effects on monopulse systems for well over half a century. However, to the best of our knowledge, radome-induced errors on CCD performance have not been described. The impact of radome material and wall construction, shape, dimensions, and antenna characteristics on CCD is examined herein for select radar and radome examples using electromagnetic simulations. C1 [Raynal, Ann Marie; Dubbert, Dale F.; Burns, Bryan L.; Hensley, William H., Jr.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Raynal, AM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM amrayna@sandia.gov NR 14 TC 0 Z9 0 U1 1 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-577-3 J9 PROC SPIE PY 2015 VL 9461 AR 94610N DI 10.1117/12.2179180 PG 15 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1LU UT WOS:000358140900019 ER PT S AU Sen, S Barhen, J AF Sen, Satyabrata Barhen, Jacob BE Ranney, KI Doerry, A Gilbreath, GC Hawley, CT TI Adaptive OFDM Waveform Design for Spatio-Temporal-Sparsity Exploited STAP Radar SO RADAR SENSOR TECHNOLOGY XIX; AND ACTIVE AND PASSIVE SIGNATURES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XIX and Active and Passive Signatures VI CY APR 20-23, 2015 CL Baltimore, MD SP SPIE DE OFDAI signal; adaptive waveform design; spatio-temporal sparsity; coherence measure AB We propose a sparsity-based space-tune adaptive processing (STAP) algorithm to detect a slowly-moving target using an orthogonal frequency division multiplexing (OFDM) radar. The motivation of employing an OFDM signal is that it improves the target-detectability from the interfering signals by increasing the frequency diversity of the system. However, due to the addition of one extra dimension in terms of frequency, the adaptive degrees-of-freedom in an OFDM-STAP also increases. Therefore, to avoid the construction a fully-adaptive OFDM-STAP, we propose a sparsity-based STAP algorithm. We observe that the interference spectrum is inherently sparse in the spatio-temporal domain, as the clutter responses occupy only a diagonal ridge on the spatio-temporal plane and the jammer signals interfere only from a few spatial directions. hence, we exploit that sparsity to develop an efficient STAP technique that utilizes considerably lesser number Of secondary data compared to the other existing STAP techniques, and produces nearly optimum STAP performance. In addition to designing I he STAP filter, we propose to optimally design the transmit, OFDM signals by maximizing, the output signal-to-interference-plus-noise ratio (SIN It) in order to improve the STAP-performance. The computation of output SINR depends on the estimated value of the interference covariance Matrix, Which we obtain by applying the sparse recovery algorithm. Therefore, we analytically assess the effects of the synthesized OFDM coefficients on the sparse recovery of the interference covariance matrix by computing the coherence measure of the sparse measurement matrix. Our numerical examples demonstrate the achieved STAP-performance due to sparsity-based technique and adaptive waveform design. C1 [Sen, Satyabrata; Barhen, Jacob] Oak Ridge Natl Lab, Div Math & Comp Sci, Ctr Engn Sci Adv Res, Oak Ridge, TN 37831 USA. RP Sen, S (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Ctr Engn Sci Adv Res, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM sens@ornl.gov; barhenj@ornl.gov OI Sen, Satyabrata/0000-0001-9918-4409 NR 26 TC 0 Z9 0 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-577-3 J9 PROC SPIE PY 2015 VL 9461 AR 946123 DI 10.1117/12.2189525 PG 9 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1LU UT WOS:000358140900064 ER PT S AU Steinbach, RM Koch, MW Moya, MM Goold, J AF Steinbach, Ryan M. Koch, Mark W. Moya, Mary M. Goold, Jeremy BE Ranney, KI Doerry, A Gilbreath, GC Hawley, CT TI Building detection in SAR imagery SO RADAR SENSOR TECHNOLOGY XIX; AND ACTIVE AND PASSIVE SIGNATURES VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XIX and Active and Passive Signatures VI CY APR 20-23, 2015 CL Baltimore, MD SP SPIE DE SAR; Building Detection; SAR artifact effects; shadows; bright lines ID EDGE-DETECTION; URBAN AREAS AB Current techniques for building detection in Synthetic Aperture Radar (SAR) imagery can be computationally expensive and/or enforce stringent requirements for data acquisition. We present a technique that is effective and efficient at determining an approximate building location from multi-pass single-pol SAR imagery. This approximate location provides focus-of-attention to specific image regions for subsequent processing. The proposed technique assumes that for the desired image, a preprocessing algorithm has detected and labeled bright lines and shadows. Because we observe that buildings produce bright lines and shadows with predetermined relationships, our algorithm uses a graph clustering technique to find groups of bright lines and shadows that create a building. The nodes of the graph represent bright line and shadow regions, while the arcs represent the relationships between the bright lines and shadow. Constraints based on angle of depression and the relationship between connected bright lines and shadows are applied to remove unrelated arcs. Once the related bright lines and shadows are grouped, their locations are combined to provide an approximate building location. Experimental results are presented to demonstrate the outcome of this technique. C1 [Steinbach, Ryan M.; Koch, Mark W.; Moya, Mary M.; Goold, Jeremy] Sandia Natl Labs, Albuquerque, NM 87158 USA. RP Steinbach, RM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87158 USA. EM rmstein@sandia.gov NR 12 TC 0 Z9 0 U1 1 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-577-3 J9 PROC SPIE PY 2015 VL 9461 AR 94610E DI 10.1117/12.2177037 PG 10 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1LU UT WOS:000358140900011 ER PT J AU Nemeth, K Unni, AK Kalnmals, C Segre, CU Kaduk, J Bloom, ID Maroni, VA AF Nemeth, Karoly Unni, Aditya K. Kalnmals, Christopher Segre, Carlo U. Kaduk, James Bloom, Ira D. Maroni, Victor A. TI The synthesis of ternary acetylides with tellurium: Li2TeC2 and Na2TeC2 SO RSC ADVANCES LA English DT Article ID TRANSITION-METAL ACETYLIDES; CRYSTAL-STRUCTURES; M-I; ALKALI; RB; NA; CS; PD; A(2)MC(2); IFEFFIT AB The synthesis of ternary acetylides Li2TeC2 and Na2TeC2 is presented as the first example of ternary acetylides with metalloid elements instead of transition metals. The synthesis was carried out by the direct reaction of the corresponding bialkali acetylides with tellurium powder in liquid ammonia. Alternatively, the synthesis of Na2TeC2 was also carried out by the direct reaction of tellurium powder and two equivalents of NaC2H in liquid ammonia leading to Na2TeC2 and acetylene gas through an equilibrium containing the assumed NaTeC2H molecules besides the reactants and the products. The resulting disordered crystalline materials were characterized by X-ray diffraction and Raman spectroscopy. Implications of these new syntheses on the synthesis of other ternary acetylides with metalloid elements and transition metals are also discussed. C1 [Nemeth, Karoly; Segre, Carlo U.] IIT, Dept Phys, Chicago, IL 60616 USA. [Unni, Aditya K.; Kalnmals, Christopher; Kaduk, James] IIT, Dept Chem, Chicago, IL 60616 USA. [Segre, Carlo U.] IIT, CSRRI, Chicago, IL 60616 USA. [Bloom, Ira D.; Maroni, Victor A.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Nemeth, K (reprint author), IIT, Dept Phys, Chicago, IL 60616 USA. EM nemeth@agni.phys.iit.edu RI Segre, Carlo/B-1548-2009; Nemeth, Karoly/L-7806-2014; BM, MRCAT/G-7576-2011 OI Segre, Carlo/0000-0001-7664-1574; Nemeth, Karoly/0000-0001-8366-1397; FU Department of Energy; MRCAT member institutions; U.S. DOE [DE-AC02-05CH11231]; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors gratefully acknowledge technical help and discussions with Prof. A. Hock, Mr M. Weimer, Mr M. Foody and other members of the Hock group at IIT, as well as Lili Kang and Songyang Han and other members of the Unni group and technical help from Dr B. Shyam (SLAC/Stanford) and Prof. J. Terry (IIT). MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. This research used computational resources at NERSC (U.S. DOE DE-AC02-05CH11231) and structural science resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract no. DE-AC02-06CH11357. Use of the Raman spectroscopy instrumentation at the Center for Nanoscale Materials of Argonne National Laboratory was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract no. DE-AC02-06CH11357. NR 28 TC 0 Z9 0 U1 1 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2015 VL 5 IS 69 BP 55986 EP 55993 DI 10.1039/c5ra08983b PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA CM6MQ UT WOS:000357803200044 ER PT J AU Snezhko, A Aranson, IS AF Snezhko, Alexey Aranson, Igor S. TI Velocity statistics of dynamic spinners in out-of-equilibrium magnetic suspensions SO SOFT MATTER LA English DT Article ID GRANULAR GAS; FLUCTUATIONS; COLLOIDS AB We report on the velocity statistics of an out-of-equilibrium magnetic suspension in a spinner phase confined at a liquid interface. The suspension is energized by a uniaxial alternating magnetic field applied parallel to the interface. In a certain range of the magnetic field parameters the system spontaneously undergoes a transition into a dynamic spinner phase (ensemble of hydrodynamically coupled magnetic micro-rotors) comprised of two subsystems: self-assembled spinning chains and a gas of rotating single particles. Both subsystems coexist in a dynamic equilibrium via continuous exchange of the particles. Spinners excite surface flows that significantly increase particle velocity correlations in the system. For both subsystems the velocity distributions are strongly non-Maxwellian with nearly exponential high-energy tails, P(v) similar to exp(-vertical bar v/v0 vertical bar). The kurtosis, the measure of the deviation from the Gaussian statistics, is influenced by the frequency of the external magnetic field. We show that in the single-particle gas the dissipation is mostly collisional, whereas the viscous damping dominates over collisional dissipation for the self-assembled spinners. The dissipation increases with the frequency of the applied magnetic field. Our results provide insights into non-trivial dissipation mechanisms determining self-assembly processes in out-of-equilibrium magnetic suspensions. C1 [Snezhko, Alexey; Aranson, Igor S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Snezhko, A (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM snezhko@anl.gov FU U.S. DOE, Office of Basic Energy Sciences, Division of Materials Science and Engineering [DE AC02-06CH11357] FX The research was supported by the U.S. DOE, Office of Basic Energy Sciences, Division of Materials Science and Engineering under the Contract No. DE AC02-06CH11357. NR 40 TC 2 Z9 2 U1 5 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2015 VL 11 IS 30 BP 6055 EP 6061 DI 10.1039/c5sm01163a PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA CN3TW UT WOS:000358350700009 PM 26133687 ER PT S AU Barthelmie, RJ Churchfield, MJ Moriarty, PJ Lundquist, JK Oxley, GS Hahn, S Pryor, SC AF Barthelmie, R. J. Churchfield, M. J. Moriarty, P. J. Lundquist, J. K. Oxley, G. S. Hahn, S. Pryor, S. C. BE Masson, C PorteAngel, F Schepers, G VanKuik, G Larsen, G Mann, J Rodrigo, JS Meyers, J Barthelmie, R AubrunSanches, S Leweke, T TI The role of atmospheric stability/turbulence on wakes at the Egmond aan Zee offshore wind farm SO WAKE CONFERENCE 2015 SE Journal of Physics Conference Series LA English DT Proceedings Paper CT Wake Conference CY JUN 09-11, 2015 CL Uppsala Univ Campus Gotland, Visby, SWEDEN HO Uppsala Univ Campus Gotland ID STABILITY AB The aim of the paper is to present results from the NREL SOWFA project that compares simulations from models of different fidelity to meteorological and turbine data from the Egmond aan Zee wind farm. Initial results illustrate that wake behavior and impacts are strongly impacted by turbulence intensity Pt This includes both power losses from wakes and loading illustrated by the out of plane bending moment. Here we focus on understanding the relationship between turbulence and atmospheric stability and whether power losses due to wakes can effectively be characterized by measures of turbulence alone or whether atmospheric stability as a whole plays a fundamental role in wake behavior. The study defines atmospheric stability using the Monin-Obukhov length estimated based on the temperature difference between 116 and 70 m. The data subset selected using this method for the calculation of the Monin-Obukhov length indicate little diurnal or directional dependence of the stability classes but a dominance of stable classes in the spring/unstable classes in fall and of near-neutral classes at high wind speeds (Figure 2). The analysis is complicated by the need to define turbulence intensity. We can select the ratio of the standard deviation of wind speed to mean wind speed in each observation period using data from the meteorological mast, in which case a substantial amount of data must be excluded due to the presence of the wind farm. An alternative is to use data from the wind turbines which could provide a larger data set for analysis. These approaches are examined and compared to illustrate their robustness. Finally, power losses from wakes are categorized according to stability and/or turbulence in order to understand their relative importance in determining the behavior of wind turbine wakes. C1 [Barthelmie, R. J.; Pryor, S. C.] Cornell Univ, Ithaca, NY 14853 USA. [Churchfield, M. J.; Moriarty, P. J.; Lundquist, J. K.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Lundquist, J. K.] Univ Colorado, Boulder, CO 80309 USA. [Oxley, G. S.; Hahn, S.] Vestas Wind Syst AS, DK-8200 Aarhus, Denmark. RP Barthelmie, RJ (reprint author), Cornell Univ, Ithaca, NY 14853 USA. EM rb737@cornell.edu NR 11 TC 0 Z9 0 U1 2 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 625 AR 012002 DI 10.1088/1742-6596/625/1/012002 PG 10 WC Energy & Fuels; Physics, Applied; Physics, Multidisciplinary SC Energy & Fuels; Physics GA BD1IG UT WOS:000358047700002 ER PT S AU Lee, S Churchfield, M Sirnivas, S Moriarty, P Nielsen, FG Skaare, B Byklum, E AF Lee, S. Churchfield, M. Sirnivas, S. Moriarty, P. Nielsen, F. G. Skaare, B. Byklum, E. BE Masson, C PorteAngel, F Schepers, G VanKuik, G Larsen, G Mann, J Rodrigo, JS Meyers, J Barthelmie, R AubrunSanches, S Leweke, T TI Coalescing Wind Turbine Wakes SO WAKE CONFERENCE 2015 SE Journal of Physics Conference Series LA English DT Proceedings Paper CT Wake Conference CY JUN 09-11, 2015 CL Uppsala Univ Campus Gotland, Visby, SWEDEN HO Uppsala Univ Campus Gotland ID TURBULENCE; MODEL AB A team of researchers from the National Renewable Energy Laboratory and Statoil used large-eddy simulations to numerically investigate the merging wakes from upstream offshore wind turbines. Merging wakes are typical phenomena in wind farm flows in which neighboring turbine wakes consolidate to form complex flow patterns that are as yet not well understood. In the present study, three 6-MW turbines in a row were subjected to a neutrally stable atmospheric boundary layer flow. As a result, the wake from the farthest upstream turbine conjoined the downstream wake, which significantly altered the subsequent velocity deficit structures, turbulence intensity, and the global meandering behavior. The complexity increased even more when the combined wakes from the two upstream turbines mixed with the wake generated by the last turbine, thereby forming a "triplet" structure. Although the influence of the wake generated by the first turbine decayed with downstream distance, the mutated wakes from the second turbine continued to influence the downstream wake. Two mirror-image angles of wind directions that yielded partial wakes impinging on the downstream turbines yielded asymmetric wake profiles that could be attributed to the changing flow directions in the rotor plane induced by the Coriolis force. The turbine wakes persisted for extended distances in the present study, which is a result of low aerodynamic surface roughness typically found in offshore conditions. C1 [Lee, S.; Churchfield, M.; Sirnivas, S.; Moriarty, P.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Nielsen, F. G.; Skaare, B.; Byklum, E.] STATOIL, Stavanger, Norway. [Nielsen, F. G.] Univ Bergen, Inst Geophys, N-5020 Bergen, Norway. RP Lee, S (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Sang.Lee@nrel.gov NR 8 TC 1 Z9 1 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 625 AR 012023 DI 10.1088/1742-6596/625/1/012023 PG 9 WC Energy & Fuels; Physics, Applied; Physics, Multidisciplinary SC Energy & Fuels; Physics GA BD1IG UT WOS:000358047700023 ER PT S AU Martinez-Tossas, LA Churchfield, MJ Meneveau, C AF Martinez-Tossas, Luis A. Churchfield, Matthew J. Meneveau, Charles BE Masson, C PorteAngel, F Schepers, G VanKuik, G Larsen, G Mann, J Rodrigo, JS Meyers, J Barthelmie, R AubrunSanches, S Leweke, T TI Large Eddy Simulation of wind turbine wakes: detailed comparisons of two codes focusing on effects of numerics and subgrid modeling SO WAKE CONFERENCE 2015 SE Journal of Physics Conference Series LA English DT Proceedings Paper CT Wake Conference CY JUN 09-11, 2015 CL Uppsala Univ Campus Gotland, Visby, SWEDEN HO Uppsala Univ Campus Gotland ID TURBULENCE AB In this work we report on results from a detailed comparative numerical study from two Large Eddy Simulation (LES) codes using the Actuator Line Model (ALM). The study focuses on prediction of wind turbine wakes and their breakdown when subject to uniform inflow. Previous studies have shown relative insensitivity to subgrid modeling in the context of a finite-volume code. The present study uses the low dissipation pseudo-spectral LES code from Johns Hopkins University (LESGO) and the second-order, finite-volume OpenFOAM code (SOWFA) from the National Renewable Energy Laboratory. When subject to uniform inflow, the loads on the blades are found to be unaffected by subgrid models or numerics, as expected. The turbulence in the wake and the location of transition to a turbulent state are affected by the subgrid-scale model and the numerics. C1 [Martinez-Tossas, Luis A.; Meneveau, Charles] Johns Hopkins Univ, Baltimore, MD 21218 USA. [Churchfield, Matthew J.] Natl Renewable Energy Lab, Golden, CO USA. RP Martinez-Tossas, LA (reprint author), Johns Hopkins Univ, Baltimore, MD 21218 USA. EM tony.mtos@mail.com OI Meneveau, Charles/0000-0001-6947-3605 NR 18 TC 1 Z9 1 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 625 AR 012024 DI 10.1088/1742-6596/625/1/012024 PG 10 WC Energy & Fuels; Physics, Applied; Physics, Multidisciplinary SC Energy & Fuels; Physics GA BD1IG UT WOS:000358047700024 ER PT S AU Koshelkin, AV Wong, CY AF Koshelkin, Andrew V. Wong, Cheuk-Yin BE Fabbri, F Giacomelli, P TI Dynamics of Quarks in a 2D Flux Tube SO XLIV INTERNATIONAL SYMPOSIUM ON MULTIPARTICLE DYNAMICS (ISMD 2014) SE EPJ Web of Conferences LA English DT Proceedings Paper CT 44th International Symposium on Multiparticle Dynamics (ISMD) CY SEP 08-12, 2014 CL Bologna, ITALY SP Inst Nazl Fis Nucl, Univ Bologna, Alma Mater Studiorum, Assoc Franco Rimondi ID PROTON-PROTON COLLISIONS; PARTICLE-PRODUCTION; JET FRAGMENTATION; ROOT-S=900 GEV; PP COLLISIONS; LHC; ALICE; MODEL; SPECTRA AB On the basis of a compactification of the (3+1) into (1+1) dimensional space-time [1], the quark states inside the 2D flux tube are studied for the case of a linear transverse confining potential. The derived states are classified by both the projections of the orbital momentum and the spin along the tube direction. The spectrum of the fermion states is evaluated. It is found that the energy eigenvalues of the quarks appear to be approximately related to the square root of the eigenvalues of the two-dimensional harmonic oscillator. C1 [Koshelkin, Andrew V.] Moscow Inst Phys & Engn, Moscow 115409, Russia. [Wong, Cheuk-Yin] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37830 USA. RP Koshelkin, AV (reprint author), Moscow Inst Phys & Engn, Kashirskoye Shosse 31, Moscow 115409, Russia. EM A_Kosh@internets.ru; wongc@ornl.gov NR 21 TC 0 Z9 0 U1 1 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 90 AR 01004 DI 10.1051/epjconf/20159001004 PG 4 WC Physics, Multidisciplinary; Physics, Particles & Fields SC Physics GA BD1SO UT WOS:000358323100004 ER PT S AU Moggi, N Artusa, DR Avignone, FT Azzolini, O Balata, M Banks, TI Bari, G Beeman, J Bellini, F Bersani, A Biassoni, M Brofferio, C Bucci, C Cai, XZ Camacho, A Caminata, A Canonica, L Cao, XG Capelli, S Cappelli, L Carbone, L Cardani, L Casali, N Cassina, L Chiesa, D Chott, N Clemenza, M Copello, S Cosmelli, C Cremonesi, O Creswick, RJ Cushman, JS Dafinei, I Dally, A Datskov, V Dell'oro, S Deninno, MM Di Domizio, S Di Vacri, ML Drobizhev, A Ejzak, L Fang, DQ Farach, HA Faverzani, M Fernandes, G Ferri, E Ferroni, F Fiorini, E Franceschi, MA Freedman, SJ Fujikawa, BK Giachero, A Gironi, L Giuliani, A Gorla, P Gotti, C Gutierrez, TD Haller, EE Han, K Heeger, KM Hennings-Yeomans, R Hickerson, KP Huang, HZ Kadel, R Keppel, G Kolomensky, YG Li, YL Ligi, C Lim, KE Liu, X Ma, YG Maiano, C Maino, M Martinez, M Maruyama, RH Mei, Y Morganti, S Napolitano, T Nisi, S Nones, C Norman, EB Nucciotti, A O'Donnell, T Orio, F Orlandi, D Ouellet, JL Pagliarone, CE Pallavicini, M Palmieri, V Pattavina, L Pavan, M Pessina, G Pettinacci, V Piperno, G Pira, C Pirro, S Pozzi, S Previtali, E Rosenfeld, C Rusconi, C Sala, E Sangiorgio, S Santone, D Scielzo, ND Sisti, M Smith, AR Taffarello, L Tenconi, M Terranova, F Tian, WD Tomei, C Trentalange, S Ventura, G Vignati, M Wang, BS Wang, HW Wielgus, L Wilson, J Winslow, LA Wise, T Woodcraft, A Zanotti, L Zarra, C Zhang, GQ Zhu, BX Zucchelli, S AF Moggi, N. Artusa, D. R. Avignone, F. T., III Azzolini, O. Balata, M. Banks, T. I. Bari, G. Beeman, J. Bellini, F. Bersani, A. Biassoni, M. Brofferio, C. Bucci, C. Cai, X. Z. Camacho, A. Caminata, A. Canonica, L. Cao, X. G. Capelli, S. Cappelli, L. Carbone, L. Cardani, L. Casali, N. Cassina, L. Chiesa, D. Chott, N. Clemenza, M. Copello, S. Cosmelli, C. Cremonesi, O. Creswick, R. J. Cushman, J. S. Dafinei, I. Dally, A. Datskov, V. Dell'oro, S. Deninno, M. M. Domizio, S. Di Di Vacri, M. L. Drobizhev, A. Ejzak, L. Fang, D. Q. Farach, H. A. Faverzani, M. Fernandes, G. Ferri, E. Ferroni, F. Fiorini, E. Franceschi, M. A. Freedman, S. J. Fujikawa, B. K. Giachero, A. Gironi, L. Giuliani, A. Gorla, P. Gotti, C. Gutierrez, T. D. Haller, E. E. Han, K. Heeger, K. M. Hennings-Yeomans, R. Hickerson, K. P. Huang, H. Z. Kadel, R. Keppel, G. Kolomensky, Yu. G. Li, Y. L. Ligi, C. Lim, K. E. Liu, X. Ma, Y. G. Maiano, C. Maino, M. Martinez, M. Maruyama, R. H. Mei, Y. Morganti, S. Napolitano, T. Nisi, S. Nones, C. Norman, E. B. Nucciotti, A. O'Donnell, T. Orio, F. Orlandi, D. Ouellet, J. L. Pagliarone, C. E. Pallavicini, M. Palmieri, V. Pattavina, L. Pavan, M. Pessina, G. Pettinacci, V. Piperno, G. Pira, C. Pirro, S. Pozzi, S. Previtali, E. Rosenfeld, C. Rusconi, C. Sala, E. Sangiorgio, S. Santone, D. Scielzo, N. D. Sisti, M. Smith, A. R. Taffarello, L. Tenconi, M. Terranova, F. Tian, W. D. Tomei, C. Trentalange, S. Ventura, G. Vignati, M. Wang, B. S. Wang, H. W. Wielgus, L. Wilson, J. Winslow, L. A. Wise, T. Woodcraft, A. Zanotti, L. Zarra, C. Zhang, G. Q. Zhu, B. X. Zucchelli, S. BE Fabbri, F Giacomelli, P TI Neutrinoless double-beta decay search with CUORE and CUORE-0 experiments SO XLIV INTERNATIONAL SYMPOSIUM ON MULTIPARTICLE DYNAMICS (ISMD 2014) SE EPJ Web of Conferences LA English DT Proceedings Paper CT 44th International Symposium on Multiparticle Dynamics (ISMD) CY SEP 08-12, 2014 CL Bologna, ITALY SP Inst Nazl Fis Nucl, Univ Bologna, Alma Mater Studiorum, Assoc Franco Rimondi ID CONTAMINATION; BOLOMETERS AB The Cryogenic Underground Observatory for Rare Events (CUORE) is an upcoming experiment designed to search for the neutrinoless double-beta decays. Observation of the process would unambiguously establish that neutrinos are Majorana particles and provide information on their absolute mass scale hierarchy. CUORE is now under construction and will consist of an array of 988 TeO2 crystal bolometers operated at 10 mK, but the first tower (CUORE-0) is already taking data. The experimental techniques used will be presented as well as the preliminary CUORE-0 results. The current status of the full-mass experiment and its expected sensitivity will then be discussed. C1 [Moggi, N.] Univ Bologna, Alma Mater Studiorum, Dipartimento Sci Qualita Vita, I-47921 Bologna, Italy. [Moggi, N.; Bari, G.; Deninno, M. M.; Zucchelli, S.] INFN, Sez Bologna, I-40127 Bologna, Italy. [Artusa, D. R.; Avignone, F. T., III; Chott, N.; Creswick, R. J.; Farach, H. A.; Wilson, J.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Artusa, D. R.; Balata, M.; Bucci, C.; Canonica, L.; Cappelli, L.; Casali, N.; Dell'oro, S.; Di Vacri, M. L.; Gorla, P.; Nisi, S.; Orlandi, D.; Pagliarone, C. E.; Pattavina, L.; Pirro, S.; Santone, D.; Zarra, C.] Ist Nazl Fis Nucl, Lab Nazl Gran Sasso, I-67010 Coppito, Italy. [Azzolini, O.; Camacho, A.; Keppel, G.; Palmieri, V.; Pira, C.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Padua, Italy. [Banks, T. I.; Drobizhev, A.; Freedman, S. J.; Hennings-Yeomans, R.; Kolomensky, Yu. G.; O'Donnell, T.; Ouellet, J. L.; Rosenfeld, C.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Banks, T. I.; Freedman, S. J.; Fujikawa, B. K.; Hennings-Yeomans, R.; Mei, Y.; O'Donnell, T.; Ouellet, J. L.; Smith, A. R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Beeman, J.; Haller, E. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Bellini, F.; Cardani, L.; Cosmelli, C.; Ferroni, F.; Piperno, G.; Vignati, M.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Bellini, F.; Cardani, L.; Cosmelli, C.; Dafinei, I.; Ferroni, F.; Morganti, S.; Orio, F.; Pettinacci, V.; Piperno, G.; Tomei, C.; Vignati, M.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy. [Bersani, A.; Domizio, S. Di; Fernandes, G.; Pallavicini, M.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Biassoni, M.; Brofferio, C.; Capelli, S.; Carbone, L.; Cassina, L.; Chiesa, D.; Clemenza, M.; Faverzani, M.; Ferri, E.; Fiorini, E.; Giachero, A.; Gironi, L.; Gotti, C.; Maiano, C.; Maino, M.; Nucciotti, A.; Pavan, M.; Pozzi, S.; Sala, E.; Sisti, M.; Terranova, F.; Zanotti, L.] Univ Milano Bicocca, Dipartimento Fis, I-20126 Milan, Italy. [Biassoni, M.; Brofferio, C.; Capelli, S.; Cassina, L.; Chiesa, D.; Clemenza, M.; Cremonesi, O.; Datskov, V.; Faverzani, M.; Ferri, E.; Fiorini, E.; Giachero, A.; Gironi, L.; Gotti, C.; Maiano, C.; Maino, M.; Nucciotti, A.; Pavan, M.; Pessina, G.; Pozzi, S.; Previtali, E.; Rusconi, C.; Sala, E.; Sisti, M.; Terranova, F.; Zanotti, L.] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20126 Milan, Italy. [Cai, X. Z.; Cao, X. G.; Fang, D. Q.; Li, Y. L.; Ma, Y. G.; Tian, W. D.; Wang, H. W.; Zhang, G. Q.] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. [Caminata, A.; Copello, S.; Domizio, S. Di; Fernandes, G.; Pallavicini, M.] Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. [Cappelli, L.; Pagliarone, C. E.] Univ Cassino & Lazio Meridionale, Dipartimento Ingn Civile & Meccan, I-03043 Cassino, Italy. [Casali, N.; Di Vacri, M. L.; Santone, D.] Univ Aquila, Dipartimento Sci Fis & Chim, I-67100 Laquila, Italy. [Cushman, J. S.; Han, K.; Heeger, K. M.; Lim, K. E.; Maruyama, R. H.; Wise, T.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Dally, A.; Ejzak, L.; Wielgus, L.; Wise, T.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Dell'oro, S.] Ist Nazl Fis Nucl, Gran Sasso Sci Inst, I-67100 Laquila, Italy. [Franceschi, M. A.; Ligi, C.; Napolitano, T.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Rome, Italy. [Giuliani, A.; Tenconi, M.] Ctr Spectrometrie Nucl & Spectrometrie Masse, F-91405 Orsay, France. [Gutierrez, T. D.] Calif Polytech State Univ San Luis Obispo, Dept Phys, San Luis Obispo, CA 93407 USA. [Haller, E. E.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Hickerson, K. P.; Huang, H. Z.; Liu, X.; Trentalange, S.; Winslow, L. A.; Zhu, B. X.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Kadel, R.; Kolomensky, Yu. G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Martinez, M.] Univ Zaragoza, Lab Fis Nucl & Astroparticulas, E-50009 Zaragoza, Spain. [Nones, C.] CEA Saclay, Serv Phys Particules, F-91191 Gif Sur Yvette, France. [Norman, E. B.; Sangiorgio, S.; Scielzo, N. D.; Wang, B. S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Norman, E. B.; Wang, B. S.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Taffarello, L.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Ventura, G.] Univ Firenze, Dipartimento Fis, I-50125 Florence, Italy. [Ventura, G.] Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. [Woodcraft, A.] Univ Edinburgh, Inst Astron, SUPA, Edinburgh EH9 3HJ, Midlothian, Scotland. [Zucchelli, S.] Univ Bologna, Alma Mater Studiorum, Dipartimento Fis & Astron, I-40127 Bologna, Italy. RP Moggi, N (reprint author), Univ Bologna, Alma Mater Studiorum, Dipartimento Sci Qualita Vita, I-47921 Bologna, Italy. EM niccolo.moggi@bo.infn.it RI Pozzi, Stefano/Q-1075-2016; capelli, silvia/G-5168-2012; Ma, Yu-Gang/M-8122-2013; Casali, Nicola/C-9475-2017; Gironi, Luca/P-2860-2016; Di Domizio, Sergio/L-6378-2014; Pallavicini, Marco/G-5500-2012; Martinez, Maria/K-4827-2012; Nucciotti, Angelo/I-8888-2012; Bellini, Fabio/D-1055-2009; Giachero, Andrea/I-1081-2013; Chiesa, Davide/H-7240-2014; Vignati, Marco/H-1684-2013; Faverzani, Marco/K-3865-2016; Ferri, Elena/L-8531-2014; Ligi, Carlo/M-4007-2016; Pattavina, Luca/I-7498-2015 OI Pessina, Gianluigi Ezio/0000-0003-3700-9757; Bersani, Andrea/0000-0003-3276-5713; azzolini, oscar/0000-0003-3951-0537; Keppel, Giorgio/0000-0003-4579-3342; Clemenza, Massimiliano/0000-0002-8064-8936; pavan, maura/0000-0002-9723-7834; Gotti, Claudio/0000-0003-2501-9608; Pozzi, Stefano/0000-0003-2986-1990; capelli, silvia/0000-0002-0300-2752; Ma, Yu-Gang/0000-0002-0233-9900; Casali, Nicola/0000-0003-3669-8247; Canonica, Lucia/0000-0001-8734-206X; Gutierrez, Thomas/0000-0002-0330-6414; Camacho, Andrea/0000-0002-1916-0130; Pira, Cristian/0000-0002-5893-1567; Cushman, Jeremy/0000-0002-8491-3725; Gironi, Luca/0000-0003-2019-0967; Di Domizio, Sergio/0000-0003-2863-5895; Pallavicini, Marco/0000-0001-7309-3023; Martinez, Maria/0000-0002-9043-4691; Nucciotti, Angelo/0000-0002-8458-1556; Bellini, Fabio/0000-0002-2936-660X; Giachero, Andrea/0000-0003-0493-695X; Chiesa, Davide/0000-0003-1978-1727; Vignati, Marco/0000-0002-8945-1128; Faverzani, Marco/0000-0001-8119-2953; Ferri, Elena/0000-0003-1425-3669; Ligi, Carlo/0000-0001-7943-7704; Pattavina, Luca/0000-0003-4192-849X NR 31 TC 0 Z9 0 U1 4 U2 13 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 90 AR 03004 DI 10.1051/epjconf/20159003004 PG 8 WC Physics, Multidisciplinary; Physics, Particles & Fields SC Physics GA BD1SO UT WOS:000358323100014 ER PT S AU Wong, CY Wilk, G Cirto, LJL Tsallis, C AF Wong, Cheuk-Yin Wilk, Grzegorz Cirto, Leonardo J. L. Tsallis, Constantino BE Fabbri, F Giacomelli, P TI Possible Implication of a Single Nonextensive p(T) Distribution for Hadron Production in High-Energy pp Collisions SO XLIV INTERNATIONAL SYMPOSIUM ON MULTIPARTICLE DYNAMICS (ISMD 2014) SE EPJ Web of Conferences LA English DT Proceedings Paper CT 44th International Symposium on Multiparticle Dynamics (ISMD) CY SEP 08-12, 2014 CL Bologna, ITALY SP Inst Nazl Fis Nucl, Univ Bologna, Alma Mater Studiorum, Assoc Franco Rimondi ID LARGE TRANSVERSE-MOMENTUM; MULTIPARTON SEMIHARD INTERACTIONS; PARTICLE-PRODUCTION; CROSS-SECTION; JET FRAGMENTATION; EIKONAL DIAGRAMS; QCD CASCADES; MONTE-CARLO; MODEL; SPECTRA AB Multiparticle production processes in pp collisions at the central rapidity region are usually considered to be divided into independent "soft" and "hard" components. The first is described by exponential (thermal-like) transverse momentum spectra in the low-p(T) region with a scale parameter T associated with the temperature of the hadronizing system. The second is governed by a power-like distributions of transverse momenta with power index n at high-p(T) associated with the hard scattering between partons. We show that the hard-scattering integral can be approximated as a nonextensive distribution of a quasi-power-law containing a scale parameter T and a power index n =1/(q-1), where q is the nonextensivity parameter. We demonstrate that the whole region of transverse momenta presently measurable at LHC experiments at central rapidity (in which the observed cross sections varies by 14 orders of magnitude down to the low p(T) region) can be adequately described by a single nonextensive distribution. These results suggest the dominance of the hard-scattering hadron-production process and the approximate validity of a "no-hair" statistical-mechanical description of the p(T) spectra for the whole p(T) region at central rapidity for pp collisions at high-energies. C1 [Wong, Cheuk-Yin] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Wilk, Grzegorz; Tsallis, Constantino] Natl Ctr Nucl Res, PL-00681 Warsaw, Poland. [Cirto, Leonardo J. L.] Ctr Brasileiro Pesquisas Fis, BR-22290180 Rio De Janeiro, RJ, Brazil. [Cirto, Leonardo J. L.] Natl Inst Sci & Technol Complex Syst, BR-22290180 Rio De Janeiro, RJ, Brazil. [Tsallis, Constantino] Santa Fe Inst, Santa Fe, NM 87501 USA. RP Wong, CY (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM wongc@ornl.gov; wilk@fuw.edu.pl; cirto@cbpf.br; tsallis@cbpf.br NR 123 TC 10 Z9 10 U1 1 U2 6 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE SN 2100-014X J9 EPJ WEB CONF PY 2015 VL 90 AR 04002 DI 10.1051/epjconf/20159004002 PG 10 WC Physics, Multidisciplinary; Physics, Particles & Fields SC Physics GA BD1SO UT WOS:000358323100016 ER PT S AU Acevedo, I Kleine, RK Kraus, D Mascarenas, D AF Acevedo, Isaiah Kleine, R. Kaleb Kraus, Dustan Mascarenas, David BE Liao, WH Park, G Erturk, A TI Multimodal Sensing Strategies for Detecting Transparent Barriers Indoors from a Mobile Platform SO ACTIVE AND PASSIVE SMART STRUCTURES AND INTEGRATED SYSTEMS 2015 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Active and Passive Smart Structures and Integrated Systems CY MAR 09-12, 2015 CL San Diego, CA SP SPIE, Amer Soc Mech Engineer DE Computer Vision; Sensor Network; Infrared Sensing; Distance Detection; Induced Reflection Detection Transparent Barrier AB There is currently an interest in developing mobile sensing platforms that fly indoors. The primary goal for these platforms is to be able to successfully navigate a building under various lighting and environmental conditions. There are numerous research challenges associated with this goal, one of which is the platform's ability to detect and identify the presence of transparent barriers. Transparent barriers could include windows, glass partitions, or skylights. For example, in order to successfully navigate inside of a structure, these platforms will need to sense if a space contains a transparent barrier and whether or not this space can be traversed. This project's focus has been developing a multimodal sensing system that can successfully identify such transparent barriers under various lighting conditions while aboard a mobile platform. Along with detecting transparent barriers, this sensing platform is capable of distinguishing between reflective, opaque, and transparent barriers. It will be critical for this system to be able to identify transparent barriers in real-time in order for the navigation system to maneuver accordingly. The properties associated with the interaction between various frequencies of light and transparent materials were one of the techniques leveraged to solve this problem. C1 [Acevedo, Isaiah] New Mexico Inst Min & Technol, Dept Mech Engn, Socorro, NM 87081 USA. [Kleine, R. Kaleb] Rose Hulman Inst Technol, Dept Elect Engn, Terre Haute, IN 47803 USA. [Kraus, Dustan] Brigham Young Univ, Dept Mech Engn, Provo, UT 84602 USA. [Mascarenas, David] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. RP Acevedo, I (reprint author), New Mexico Inst Min & Technol, Dept Mech Engn, Socorro, NM 87081 USA. NR 3 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-534-6 J9 PROC SPIE PY 2015 VL 9431 AR 94310V DI 10.1117/12.2084092 PG 10 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Optics SC Engineering; Materials Science; Optics GA BD0SF UT WOS:000357640200026 ER PT S AU Masoumi, M Wang, Y Liu, MZ Tewolde, M Longtin, J AF Masoumi, Masoud Wang, Ya Liu, Mingzhao Tewolde, Mahder Longtin, Jon BE Liao, WH Park, G Erturk, A TI Multifunctional magneto-plasmonic nanotransducers for advanced theranostics: synthesis, modeling and experiment SO ACTIVE AND PASSIVE SMART STRUCTURES AND INTEGRATED SYSTEMS 2015 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Active and Passive Smart Structures and Integrated Systems CY MAR 09-12, 2015 CL San Diego, CA SP SPIE, American Soc Mech Engineer DE Theranostic nanomedicine; SPIO; cancer treatment; UV-spectroscopy; photothermal experiment ID NANOPARTICLES; CANCER; NANOSHELLS; SIZE AB In this work, nano-transducers with a superparamagnetic iron oxide (SPIO) core have been synthesized by preparation of precursor gold nanoseeds loaded on SPIO-embedded silica to form a gold nanoshell. The goal is for such nano-tansducers to be used in theranostics to detect brain tumors by using MRI imaging and then assist in their treatment by using photothermal ablation. The iron oxide core provides for the use of a magnetic-field to guide the particles to the target (tumor) site. The gold nanoshell can be then readily heated using incident light and/or an alternating magnetic-field. After synthesis of nano-transducer samples, Transmission Electron Microscopy was employed to analyze the formation of each layer. Then UV spectroscopy experiments were conducted to examine the light absorbance of the synthesized samples. The UV-visible absorption spectra shows a clear surface plasmon resonance (SPR) band around 530 nm, verifying the presence of gold coating nanoshells. Finally photothermal experiments using a high-power laser beam with a wavelength of 527 nm were performed to heat the samples. It was found that the temperature reaches 45 degrees C in 12 minutes. C1 [Masoumi, Masoud; Wang, Ya; Tewolde, Mahder; Longtin, Jon] SUNY Stony Brook, Dept Mech Engn, Stony Brook, NY 11790 USA. [Liu, Mingzhao] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Masoumi, M (reprint author), SUNY Stony Brook, Dept Mech Engn, Stony Brook, NY 11790 USA. EM ya.s.wang@stonybrook.edu NR 11 TC 0 Z9 0 U1 1 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-534-6 J9 PROC SPIE PY 2015 VL 9431 AR 94311X DI 10.1117/12.2187102 PG 9 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Optics SC Engineering; Materials Science; Optics GA BD0SF UT WOS:000357640200053 ER PT S AU Giaz, A Fossati, V Hull, G Camera, F Blasi, N Brambilla, S Ceruti, S Cherepy, N Million, B Pellegri, L Riboldi, S AF Giaz, A. Fossati, V. Hull, G. Camera, F. Blasi, N. Brambilla, S. Ceruti, S. Cherepy, N. Million, B. Pellegri, L. Riboldi, S. BE Roberts, O Hanlon, L McBreen, S TI Characterization of new scintillators: SrI2:Eu, CeBr3, GYGAG:Ce and CLYC:Ce SO APPLICATIONS OF NOVEL SCINTILLATORS FOR RESEARCH AND INDUSTRY (ANSRI 2015) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT Workshop on Applications of Novel Scintillators for Research and Industry (ANSRI) CY JAN 12-14, 2015 CL Univ Coll Dublin, Dublin, IRELAND SP Sci Fdn Ireland, Scionix, Inst Phys, Nucl Phys, Inst Phys, Nucl Ind, Inst Phys, Mat & Characterisat, ORTEC, AMETEK HO Univ Coll Dublin AB We measured the performance of a 2 '' x2 '' tapered cylindrical SrI2:Eu, a 2 '' x 3 '' cylindrical CeBr3, a 2 '' x 0.3" cylindrical GYGAG:Ce. The gamma-ray energy resolution was measured up to 9 MeV. A scan along three axes of each scintillator was performed using a collimated source of Cs-137. The signals of the detectors were also digitized and compared. We tested two 1 '' x 1 '' cylindrical CLYC crystals. One was enriched with Li-6 at 95% while the other was enriched with 99% of Li-7. The response of the two detectors to gamma rays, thermal and fast neutrons was measured. The PSD performances have been tested with a different types of PMTs. C1 [Giaz, A.; Camera, F.; Blasi, N.; Brambilla, S.; Ceruti, S.; Million, B.; Pellegri, L.; Riboldi, S.] Ist Nazl Fis Nucl, Sez Milano, I-20133 Milan, Mi, Italy. [Fossati, V.; Camera, F.; Ceruti, S.; Riboldi, S.] Univ Milan, I-20133 Milan, Mi, Italy. [Hull, G.] Inst Phys Nucl Orsay, F-91406 Orsay, France. [Cherepy, N.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Giaz, A (reprint author), Ist Nazl Fis Nucl, Sez Milano, Via Celoria 16, I-20133 Milan, Mi, Italy. EM agnese.giaz@mi.infn.it RI Cherepy, Nerine/F-6176-2013 OI Cherepy, Nerine/0000-0001-8561-923X NR 8 TC 2 Z9 2 U1 1 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 620 AR 012003 DI 10.1088/1742-6596/620/1/012003 PG 5 WC Physics, Applied; Physics, Multidisciplinary SC Physics GA BD1FT UT WOS:000357993200003 ER PT J AU Mishra, U Riley, WJ AF Mishra, U. Riley, W. J. TI Scaling impacts on environmental controls and spatial heterogeneity of soil organic carbon stocks SO BIOGEOSCIENCES LA English DT Article ID MOISTURE FIELDS; VARIABILITY; LANDSCAPE; RESOLUTION; SIMULATIONS; DYNAMICS; MODELS; PATTERNS; STORAGE; SCALES AB The spatial heterogeneity of land surfaces affects energy, moisture, and greenhouse gas exchanges with the atmosphere. However, representing the heterogeneity of terrestrial hydrological and biogeochemical processes in Earth system models (ESMs) remains a critical scientific challenge. We report the impact of spatial scaling on environmental controls, spatial structure, and statistical properties of soil organic carbon (SOC) stocks across the US state of Alaska. We used soil profile observations and environmental factors such as topography, climate, land cover types, and surficial geology to predict the SOC stocks at a 50m spatial scale. These spatially heterogeneous estimates provide a data set with reasonable fidelity to the observations at a sufficiently high resolution to examine the environmental controls on the spatial structure of SOC stocks. We upscaled both the predicted SOC stocks and environmental variables from finer to coarser spatial scales (s = 100, 200, and 500m and 1, 2, 5, and 10 km) and generated various statistical properties of SOC stock estimates. We found different environmental factors to be statistically significant predictors at different spatial scales. Only elevation, temperature, potential evapotranspiration, and scrub land cover types were significant predictors at all scales. The strengths of control (the median value of geographically weighted regression coefficients) of these four environmental variables on SOC stocks decreased with increasing scale and were accurately represented using mathematical functions (R-2 = 0.83-0.97). The spatial structure of SOC stocks across Alaska changed with spatial scale. Although the variance (sill) and unstructured variability (nugget) of the calculated variograms of SOC stocks decreased exponentially with scale, the correlation length (range) remained relatively constant across scale. The variance of predicted SOC stocks decreased with spatial scale over the range of 50m to similar to 500 m, and remained constant beyond this scale. The fitted exponential function accounted for 98% of variability in the variance of SOC stocks. We found moderately accurate linear relationships between mean and higher-order moments of predicted SOC stocks (R-2 similar to 0.55-0.63). Current ESMs operate at coarse spatial scales (50100 km), and are therefore unable to represent environmental controllers and spatial heterogeneity of high-latitude SOC stocks consistent with observations. We conclude that improved understanding of the scaling behavior of environmental controls and statistical properties of SOC stocks could improve ESM land model benchmarking and perhaps allow representation of spatial heterogeneity of biogeochemistry at scales finer than those currently resolved by ESMs. C1 [Mishra, U.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. [Riley, W. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. RP Mishra, U (reprint author), Argonne Natl Lab, Div Environm Sci, 9700 South Cass Ave,240-6143, Argonne, IL 60439 USA. EM umishra@anl.gov RI Riley, William/D-3345-2015 OI Riley, William/0000-0002-4615-2304 FU Office of Science, Office of Biological and Environmental Research of the US Department of Energy under Argonne National Laboratory [DE-AC02-06CH11357]; Regional and Global Climate Modeling (RGCM) Program; Lawrence Berkeley National Laboratory as part of the RGCM program [DE-AC02-05CH11231]; Next-Generation Ecosystem Experiment Arctic project FX This research was supported by the Director, Office of Science, Office of Biological and Environmental Research of the US Department of Energy under Argonne National Laboratory contract no. DE-AC02-06CH11357, and the Regional and Global Climate Modeling (RGCM) Program. Contributions of W. J. Riley were supported under Lawrence Berkeley National Laboratory contract no. DE-AC02-05CH11231 as part of the RGCM program and the Next-Generation Ecosystem Experiment Arctic project. Thanks to G. Michaelson and C. L. Ping for providing access to some of the SOC profile data. NR 68 TC 2 Z9 2 U1 3 U2 14 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 EI 1726-4189 J9 BIOGEOSCIENCES JI Biogeosciences PY 2015 VL 12 IS 13 BP 3993 EP 4004 DI 10.5194/bg-12-3993-2015 PG 12 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA CM8UY UT WOS:000357978900004 ER PT S AU Alvine, KJ Bernacki, BE Bennett, WD Schemer-Kohrn, A Suter, JD AF Alvine, Kyle J. Bernacki, Bruce E. Bennett, Wendy D. Schemer-Kohrn, Alan Suter, Jonathan D. BE Fountain, AW TI Subwavelength films for standoff radiation dosimetry SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING XVI SE Proceedings of SPIE LA English DT Proceedings Paper CT 16th Meeting of the Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing part of the SPIE Defense, Security plus Sensing Symposium CY APR 21-23, 2015 CL Baltimore, MD SP SPIE DE radiation dosimetry; nanotechnology; standoff radiation sensing; subwavelength structures ID LIGHT AB We present optical subwavelength nanostructure architecture suitable for standoff radiation dosimetry with remote optical readout in the visible or infrared spectral regions. To achieve this, films of subwavelength structures are fabricated over several square inches via the creation of a 2D non-close packed (NCP) array template of radiation-sensitive polymeric nanoparticles, followed by magnetron sputtering of a metallic coating to form a 2D array of separated hemispherical nanoscale metallic shells. The nanoshells are highly reflective at resonance in the visible or infrared depending on design. These structures and their behavior are based on the open ring resonator (ORR) architecture and have their analog in resonant inductive-capacitive (LC) circuits, which display a resonance wavelength that is inversely proportional to the square root of the product of the inductance and capacitance. Therefore, any modification of the nanostructure material properties due to radiation alters the inductive or capacitive behavior of the subwavelength features, which in turn changes their optical properties resulting in a shift in the optical resonance. This shift in resonance may be remotely interrogated actively using either laser illumination or passively by hyperspectral or multispectral sensing with broadband illumination. These structures may be designed to be either anisotropic or isotropic, which can also offer polarization-sensitive interrogation. We present experimental measurements of a radiation induced shift in the optical resonance of a subwavelength film after exposure to an absorbed dose of gamma radiation from 2 Mrad up to 62 Mrad demonstrating the effect. Interestingly the resonance shift is non-monotonic for this material system and possible radiation damage mechanisms to the nanoparticles are discussed. C1 [Alvine, Kyle J.; Bernacki, Bruce E.; Bennett, Wendy D.; Schemer-Kohrn, Alan; Suter, Jonathan D.] Pacific NW Natl Lab, Richland, WA 99338 USA. RP Alvine, KJ (reprint author), Pacific NW Natl Lab, Richland, WA 99338 USA. EM kyle.alvine@pnnl.gov OI Suter, Jonathan/0000-0001-5709-6988 NR 8 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-571-1 J9 PROC SPIE PY 2015 VL 9455 AR 945503 DI 10.1117/12.2177140 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0WG UT WOS:000357744700002 ER PT S AU Brauer, CS Johnson, TJ Myers, TL Su, YF Blake, TA Forland, BM AF Brauer, Carolyn S. Johnson, Timothy J. Myers, Tanya L. Su, Yin-Fong Blake, Thomas A. Forland, Brenda M. BE Fountain, AW TI Effects of Sample Preparation on the Infrared Reflectance Spectra of Powders SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING XVI SE Proceedings of SPIE LA English DT Proceedings Paper CT 16th Meeting of the Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing part of the SPIE Defense, Security plus Sensing Symposium CY APR 21-23, 2015 CL Baltimore, MD SP SPIE DE Directional hemispherical reflectance; FTIR; powder; particle size; optical constants; integrating sphere; infrared ID MU-M; MINERALS; SURFACES; ROCK AB While reflectance spectroscopy is a useful tool for identifying molecular compounds, laboratory measurement of solid (particularly powder) samples often is confounded by sample preparation methods. For example, both the packing density and surface roughness can have an effect on the quantitative reflectance spectra of powdered samples. Recent efforts in our group have focused on developing standard methods for measuring reflectance spectra that accounts for sample preparation, as well as other factors such as particle size and provenance. In this work, the effect of preparation method on sample reflectivity was investigated by measuring the directional-hemispherical spectra of samples that were hand-loaded as well as pressed into pellets using an integrating sphere attached to a Fourier transform infrared spectrometer. The results show that the methods used to prepare the sample can have a substantial effect on the measured reflectance spectra, as do other factors such as particle size. C1 [Brauer, Carolyn S.; Johnson, Timothy J.; Myers, Tanya L.; Su, Yin-Fong; Blake, Thomas A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Forland, Brenda M.] Red Rocks Community Coll, Lakewood, CO 80228 USA. RP Brauer, CS (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM Carolyn.Brauer@pnnl.gov NR 21 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-571-1 J9 PROC SPIE PY 2015 VL 9455 AR 945505 DI 10.1117/12.2179736 PG 6 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0WG UT WOS:000357744700004 ER PT S AU Johnson, TJ Sweet, LE Meier, DE Mausolf, EJ Kim, E Weck, PF Buck, EC McNamara, BK AF Johnson, Timothy J. Sweet, Lucas E. Meier, David E. Mausolf, Edward J. Kim, Eunja Weck, Philippe F. Buck, Edgar C. McNamara, Bruce K. BE Fountain, AW TI Dehydration of Uranyl Nitrate Hexahydrate to the Trihydrate under Ambient Conditions as Observed via Dynamic Infrared Reflectance Spectroscopy SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING XVI SE Proceedings of SPIE LA English DT Proceedings Paper CT 16th Meeting of the Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing part of the SPIE Defense, Security plus Sensing Symposium CY APR 21-23, 2015 CL Baltimore, MD SP SPIE DE uranyl nitrate; uranyl nitrate hexahydrate; infrared spectroscopy; microscopy; reflectance spectroscopy; reststrahlen bands; density functional theory ID NEUTRON DIFFRACTION; SPECTRA; COMPLEXES; BACILLUS; SALTS; CELLS AB Uranyl nitrate is a key species in the nuclear fuel cycle, but is known to exist in different states of hydration, including the hexahydrate [UO2(NO3)(2)(H2O)(6)] (UNH) and the trihydrate [UO2(NO3)(2)(H2O)(3)] (UNT) forms. Their stabilities depend on both relative humidity and temperature. Both phases have previously been studied by infrared transmission spectroscopy, but the data were limited by both instrumental resolution and the ability to prepare the samples as pellets without desiccating it. We report time-resolved infrared (IR) measurements using an integrating sphere that allow us to observe the transformation from the hexahydrate to the trihydrate simply by flowing dry nitrogen gas over the sample. Hexahydrate samples were prepared and confirmed via known XRD patterns, then measured in reflectance mode. The hexahydrate has a distinct uranyl asymmetric stretch band at 949.0 cm(-1) that shifts to shorter wavelengths and broadens as the sample dehydrates and recrystallizes to the trihydrate, first as a blue edge shoulder but ultimately resulting in a doublet band with reflectance peaks at 966 and 957 cm(-1). The data are consistent with transformation from UNH to UNT since UNT has two non-equivalent UO22+ sites. The dehydration of UO2(NO3)(2)(H2O)(6) to UO2(NO3)(2)(H2O)(3) is both a morphological and structural change that has the lustrous lime green crystals changing to the dull greenish yellow of the trihydrate. Crystal structures and phase transformation were confirmed theoretically using DFT calculations and experimentally via microscopy methods. Both methods showed a transformation with two distinct sites for the uranyl cation in the trihydrate, as opposed to a single crystallographic site in the hexahydrate. C1 [Johnson, Timothy J.; Sweet, Lucas E.; Meier, David E.; Mausolf, Edward J.; Buck, Edgar C.; McNamara, Bruce K.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Kim, Eunja] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. [Weck, Philippe F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Johnson, TJ (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99354 USA. EM timothy.johnson@pnnl.gov RI Buck, Edgar/N-7820-2013; OI Buck, Edgar/0000-0001-5101-9084; , Philippe/0000-0002-7610-2893 NR 29 TC 0 Z9 0 U1 1 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-571-1 J9 PROC SPIE PY 2015 VL 9455 AR 945504 DI 10.1117/12.2179704 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0WG UT WOS:000357744700003 ER PT S AU Piotrowski, JS Simpkins, SW Li, SC Deshpande, R McIlwain, SJ Ong, IM Myers, CL Boone, C Andersen, RJ AF Piotrowski, Jeff S. Simpkins, Scott W. Li, Sheena C. Deshpande, Raamesh McIlwain, Sean J. Ong, Irene M. Myers, Chad L. Boone, Charlie Andersen, Raymond J. BE Hempel, JE Williams, CH Hong, CC TI Chemical Genomic Profiling via Barcode Sequencing to Predict Compound Mode of Action SO CHEMICAL BIOLOGY: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Chemical genomics; Barcode sequencing; Functional genomics; Yeast deletion collection ID YEAST; SET AB Chemical genomics is an unbiased, whole-cell approach to characterizing novel compounds to determine mode of action and cellular target. Our version of this technique is built upon barcoded deletion mutants of Saccharomyces cerevisiae and has been adapted to a high-throughput methodology using next-generation sequencing. Here we describe the steps to generate a chemical genomic profile from a compound of interest, and how to use this information to predict molecular mechanism and targets of bioactive compounds. C1 [Piotrowski, Jeff S.; McIlwain, Sean J.; Ong, Irene M.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Simpkins, Scott W.; Deshpande, Raamesh; Myers, Chad L.] Univ Minnesota Twin Cities, Dept Comp Sci & Engn, Minneapolis, MN USA. [Li, Sheena C.] RIKEN Ctr Sustainable Resource Sci, Wako, Saitama, Japan. [Boone, Charlie] Univ Toronto, Terrence Donnelly Ctr Cellular & Biomol Res, Toronto, ON, Canada. [Andersen, Raymond J.] Univ British Columbia, Dept Chem, Vancouver, BC, Canada. RP Piotrowski, JS (reprint author), Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. OI Simpkins, Scott/0000-0002-5997-2838 FU Canadian Institutes of Health Research [MOP-57830]; NHGRI NIH HHS [R01 HG005084, 1R01HG005084-01A1, R01 HG005853, R01HG005853]; NIGMS NIH HHS [1R01GM104975-01, 5T32GM008347-22, R01 GM104975, T32 GM008347] NR 14 TC 6 Z9 6 U1 3 U2 10 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-4939-2269-7; 978-1-4939-2268-0 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2015 VL 1263 BP 299 EP 318 DI 10.1007/978-1-4939-2269-7_23 D2 10.1007/978-1-4939-2269-7 PG 20 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BD0OR UT WOS:000357509900024 PM 25618354 ER PT J AU Lu, QQ Zhang, J Peng, P Zhang, GH Huang, ZL Yi, H Miller, JT Lei, AW AF Lu, Qingquan Zhang, Jian Peng, Pan Zhang, Guanghui Huang, Zhiliang Yi, Hong Miller, Jeffrey T. Lei, Aiwen TI Operando X-ray absorption and EPR evidence for a single electron redox process in copper catalysis SO CHEMICAL SCIENCE LA English DT Article ID COUPLING REACTIONS; COMPLEXES; PROTEINS; IRON; POLYMERIZATION; ACTIVATION; REACTIVITY; REDUCTION; CHEMISTRY; INSIGHTS AB An unprecedented single electron redox process in copper catalysis is confirmed using operando X-ray absorption and EPR spectroscopies. The oxidation state of the copper species in the interaction between Cu(II) and a sulfinic acid at room temperature, and the accurate characterization of the formed Cu(I) are clearly shown using operando X-ray absorption and EPR evidence. Further investigation of anion effects on Cu(II) discloses that bromine ions can dramatically increase the rate of the redox process. Moreover, it is proven that the sulfinic acids are converted into sulfonyl radicals, which can be trapped by 2-arylacrylic acids and various valuable beta-keto sulfones are synthesized with good to excellent yields under mild conditions. C1 [Lu, Qingquan; Zhang, Jian; Peng, Pan; Zhang, Guanghui; Huang, Zhiliang; Yi, Hong; Lei, Aiwen] Wuhan Univ, IAS, Coll Chem & Mol Sci, Wuhan 430072, Hubei, Peoples R China. [Lei, Aiwen] Jiangxi Normal Univ, Natl Res Ctr Carbohydrate Synth, Nanchang 330022, Jiangxi, Peoples R China. [Zhang, Guanghui; Huang, Zhiliang; Miller, Jeffrey T.; Lei, Aiwen] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Miller, Jeffrey T.] Purdue Univ, Dept Chem Engn, W Lafayette, IN 47907 USA. RP Lei, AW (reprint author), Wuhan Univ, IAS, Coll Chem & Mol Sci, Wuhan 430072, Hubei, Peoples R China. EM aiwenlei@whu.edu.cn RI ID, MRCAT/G-7586-2011; Zhang, Guanghui/C-4747-2008 OI Zhang, Guanghui/0000-0002-5854-6909 FU 973 Program [2012CB725302]; National Natural Science Foundation of China [21390400, 21025206, 21272180, 21302148]; Research Fund for the Doctoral Program of Higher Education of China [20120141130002]; Ministry of Science and Technology of China [2012YQ120060]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy; MRCAT member institutions FX This work was supported by the 973 Program (2012CB725302), the National Natural Science Foundation of China (21390400, 21025206, 21272180, and 21302148), the Research Fund for the Doctoral Program of Higher Education of China (20120141130002) and the Ministry of Science and Technology of China (2012YQ120060). The Program of Introducing Talents of Discipline to Universities of China (111 Program) is also appreciated. Use of the Advanced Photon Source was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. NR 34 TC 17 Z9 17 U1 7 U2 32 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 2015 VL 6 IS 8 BP 4851 EP 4854 DI 10.1039/c5sc00807g PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CM8EU UT WOS:000357931700056 ER PT J AU Schneider, AM Lu, LY Manley, EF Zheng, TY Sharapov, V Xu, T Marks, TJ Chen, LX Yu, LP AF Schneider, Alexander M. Lu, Luyao Manley, Eric F. Zheng, Tianyue Sharapov, Valerii Xu, Tao Marks, Tobin J. Chen, Lin X. Yu, Luping TI Wide bandgap OPV polymers based on pyridinonedithiophene unit with efficiency > 5% SO CHEMICAL SCIENCE LA English DT Article ID HETEROJUNCTION SOLAR-CELLS; POWER-CONVERSION EFFICIENCY; BULK HETEROJUNCTION; ORGANIC PHOTOVOLTAICS; CHARGE RECOMBINATION; FILL FACTORS; COPOLYMERS; PERFORMANCE; TANDEM; TRANSPORT AB We report the properties of a new series of wide band gap photovoltaic polymers based on the N-alkyl 2-pyridone dithiophene (PDT) unit. These polymers are effective bulk heterojunction solar cell materials when blended with phenyl-C-71-butyric acid methyl ester (PC71BM). They achieve power conversion efficiencies (up to 5.33%) high for polymers having such large bandgaps, ca. 2.0 eV (optical) and 2.5 eV (electrochemical). Grazing incidence wide-angle X-ray scattering (GIWAXS) reveals strong correlations between pi-pi stacking distance and regularity, polymer backbone planarity, optical absorption maximum energy, and photovoltaic efficiency. C1 [Schneider, Alexander M.; Lu, Luyao; Zheng, Tianyue; Sharapov, Valerii; Xu, Tao; Yu, Luping] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Schneider, Alexander M.; Lu, Luyao; Zheng, Tianyue; Sharapov, Valerii; Xu, Tao; Yu, Luping] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. [Manley, Eric F.; Marks, Tobin J.; Chen, Lin X.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Manley, Eric F.; Marks, Tobin J.; Chen, Lin X.] Northwestern Univ, Argonne Northwestern Solar Energy Res Ctr, Evanston, IL 60208 USA. [Manley, Eric F.; Chen, Lin X.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. RP Chen, LX (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM l-chen@northwestern.edu; lupingyu@uchicago.edu RI Lu, Luyao/J-6553-2015; Zheng, Tianyue/P-2674-2016 FU U. S. National Science Foundation [NSF CHE-1229089, DMR-1263006]; Air Force Office of Scientific Research [FA9550-12-1-0061]; NSF MRSEC program at the University of Chicago [DMR-0820054]; NIST ChiMad program; DOE via the ANSER Center, an Energy Frontier Research Center - U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001059]; U. S. DOE [DE-AC02-06CH11357] FX This work is supported by the U. S. National Science Foundation (grants NSF CHE-1229089, and DMR-1263006), the Air Force Office of Scientific Research (grant FA9550-12-1-0061), the NSF MRSEC program at the University of Chicago (grant DMR-0820054) and the NIST ChiMad program. T. Y. Zheng was supported by the DOE via the ANSER Center, an Energy Frontier Research Center funded by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under award number DE-SC0001059 for the synthesis of monomer Ar3, Use of the Advanced Photon Source, an Office of Science User Facility operated for the U. S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U. S. DOE under Contract no. DE-AC02-06CH11357. NR 51 TC 12 Z9 12 U1 10 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 2015 VL 6 IS 8 BP 4860 EP 4866 DI 10.1039/c5sc01427a PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA CM8EU UT WOS:000357931700058 ER PT J AU Jurss, JW Khnayzer, RS Panetier, JA El Roz, KA Nichols, EM Head-Gordon, M Long, JR Castellano, FN Chang, CJ AF Jurss, Jonah W. Khnayzer, Rony S. Panetier, Julien A. El Roz, Karim A. Nichols, Eva M. Head-Gordon, Martin Long, Jeffrey R. Castellano, Felix N. Chang, Christopher J. TI Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water SO CHEMICAL SCIENCE LA English DT Article ID HYDROPHILIC PHOSPHATRIAZAADAMANTANE LIGAND; AROMATIC NITROGEN-HETEROCYCLES; TRANSITION-METAL-COMPLEXES; DENSITY-FUNCTIONAL THEORY; MOLYBDENUM-OXO CATALYST; ELECTROCATALYTIC REDUCTION; GALACTOSE-OXIDASE; ARTIFICIAL PHOTOSYNTHESIS; LOW OVERPOTENTIALS; IRON HYDROGENASE AB Mononuclear metalloenzymes in nature can function in cooperation with precisely positioned redox-active organic cofactors in order to carry out multielectron catalysis. Inspired by the finely tuned redox management of these bioinorganic systems, we present the design, synthesis, and experimental and theoretical characterization of a homologous series of cobalt complexes bearing redox-active pyrazines. These donor moieties are locked into key positions within a pentadentate ligand scaffold in order to evaluate the effects of positioning redox non-innocent ligands on hydrogen evolution catalysis. Both metal-and ligand-centered redox features are observed in organic as well as aqueous solutions over a range of pH values, and comparison with analogs bearing redox-inactive zinc(II) allows for assignments of ligand-based redox events. Varying the geometric placement of redox non-innocent pyrazine donors on isostructural pentadentate ligand platforms results in marked effects on observed cobalt-catalyzed proton reduction activity. Electrocatalytic hydrogen evolution from weak acids in acetonitrile solution, under diffusion-limited conditions, reveals that the pyrazine donor of axial isomer 1-Co behaves as an unproductive electron sink, resulting in high overpotentials for proton reduction, whereas the equatorial pyrazine isomer complex 2-Co is significantly more active for hydrogen generation at lower voltages. Addition of a second equatorial pyrazine in complex 3-Co further minimizes overpotentials required for catalysis. The equatorial derivative 2-Co is also superior to its axial 1-Co congener for electrocatalytic and visible-light photocatalytic hydrogen generation in biologically relevant, neutral pH aqueous media. Density functional theory calculations (B3LYP-D2) indicate that the first reduction of catalyst isomers 1-Co, 2-Co, and 3-Co is largely metal-centered while the second reduction occurs at pyrazine. Taken together, the data establish that proper positioning of non-innocent pyrazine ligands on a single cobalt center is indeed critical for promoting efficient hydrogen catalysis in aqueous media, akin to optimally positioned redoxactive cofactors in metalloenzymes. In a broader sense, these findings highlight the significance of electronic structure considerations in the design of effective electron-hole reservoirs for multielectron transformations. C1 [Jurss, Jonah W.; Panetier, Julien A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Chang, Christopher J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Chang, Christopher J.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Jurss, Jonah W.] Univ Mississippi, Dept Chem & Biochem, University, MS 38677 USA. [Panetier, Julien A.; Long, Jeffrey R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Jurss, Jonah W.; Nichols, Eva M.; Head-Gordon, Martin; Chang, Christopher J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Khnayzer, Rony S.; El Roz, Karim A.; Castellano, Felix N.] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. [Khnayzer, Rony S.] Lebanese Amer Univ, Dept Nat Sci, Beirut 11022801, Chouran, Lebanon. [Chang, Christopher J.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu; jrlong@berkeley.edu; fncastel@ncsu.edu; chrischang@berkeley.edu OI Panetier, Julien/0000-0003-4905-8396; Castellano, Felix/0000-0001-7546-8618 FU U.S. Department of Energy/Lawrence Berkeley National Laboratory Grant [101528-002]; National Science Foundation [CHE-1012487]; Office of Science of the U.S. Department of Energy [DE-SC0004993]; National Science Foundation Graduate Research Fellowship Program (NSF GRFP); NSF [CHE-1111900] FX Catalyst development, characterization, and electrochemical measurements were supported by U.S. Department of Energy/Lawrence Berkeley National Laboratory Grant 101528-002 (J.W.J., C.J.C.). Photocatalytic experiments (R.S.K, K.E., F.N.C.) were carried out at NCSU under support from the National Science Foundation (CHE-1012487). Density functional calculations (J.A.P., M.H.-G.) were performed at the Joint Center for Artificial Photosynthesis, a DOE Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award Number DE-SC0004993. E.M.N. gratefully acknowledges support from the National Science Foundation Graduate Research Fellowship Program (NSF GRFP). The contributions of J.R.L. were supported by NSF grant CHE-1111900. C.J.C. is an Investigator with the Howard Hughes Medical Institute. NR 154 TC 17 Z9 17 U1 15 U2 58 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 2015 VL 6 IS 8 BP 4954 EP 4972 DI 10.1039/c5sc01414j PG 19 WC Chemistry, Multidisciplinary SC Chemistry GA CM8EU UT WOS:000357931700071 ER PT J AU Weck, PF Kim, E Jove-Colon, CF AF Weck, Philippe F. Kim, Eunja Jove-Colon, Carlos F. TI Relationship between crystal structure and thermo-mechanical properties of kaolinite clay: beyond standard density functional theory SO DALTON TRANSACTIONS LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; BRILLOUIN-ZONE INTEGRATIONS; HIGHLY ORDERED KAOLINITE; AB-INITIO; RAMAN-SPECTROSCOPY; ELASTIC PROPERTIES; 77 K; 1ST-PRINCIPLES; DICKITE; ANISOTROPY AB The structural, mechanical and thermodynamic properties of 1 : 1 layered dioctahedral kaolinite clay, with ideal Al2Si2O5(OH)(4) stoichiometry, were investigated using density functional theory corrected for dispersion interactions (DFT-D2). The bulk moduli of 56.2 and 56.0 GPa predicted at 298 K using the Vinet and Birch-Murnaghan equations of state, respectively, are in good agreement with the recent experimental value of 59.7 GPa reported for well-crystallized samples. The isobaric heat capacity computed for uniaxial deformation of kaolinite along the stacking direction reproduces calorimetric data within 0.7-3.0% from room temperature up to its thermal stability limit. C1 [Weck, Philippe F.; Jove-Colon, Carlos F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Kim, Eunja] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. RP Weck, PF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pfweck@sandia.gov OI , Philippe/0000-0002-7610-2893 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Used Fuel Disposition Campaign of the U.S. Department of Energy's Office of Nuclear Energy 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. Funding for this work was provided by the Used Fuel Disposition Campaign of the U.S. Department of Energy's Office of Nuclear Energy. NR 74 TC 1 Z9 1 U1 5 U2 23 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 2015 VL 44 IS 28 BP 12550 EP 12560 DI 10.1039/c5dt00590f PG 11 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CM7TO UT WOS:000357899600017 PM 25761796 ER PT J AU Weck, PF Kim, E AF Weck, Philippe F. Kim, Eunja TI Thermodynamics of technetium: reconciling theory and experiment using density functional perturbation analysis SO DALTON TRANSACTIONS LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; BRILLOUIN-ZONE INTEGRATIONS; HEAT-CAPACITIES; TC; SUPERCONDUCTIVITY; METALS; TEMPERATURE; CHEMISTRY; ALLOY; 1ST-PRINCIPLES AB The structure, lattice dynamics and thermodynamic properties of bulk technetium were investigated within the framework of density functional theory. The phonon density of states spectrum computed with density functional perturbation theory closely matches inelastic coherent neutron scattering measurements. The thermal properties of technetium were derived from phonon frequencies calculated within the quasi-harmonic approximation (QHA), which introduces a volume dependence of phonon frequencies as a part of the anharmonic effect. The predicted thermal expansion and isobaric heat capacity of technetium are in excellent agreement with available experimental data for temperatures up to similar to 1600 K. C1 [Weck, Philippe F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Kim, Eunja] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. RP Weck, PF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pfweck@sandia.gov OI , Philippe/0000-0002-7610-2893 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; DOE Office of Nuclear Energy's Nuclear Energy University Program FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This research was performed using funding received from the DOE Office of Nuclear Energy's Nuclear Energy University Program. We thank Dr Joseph A. Rard (Lawrence Livermore National Laboratory) for stimulating discussions. NR 67 TC 4 Z9 4 U1 0 U2 4 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 2015 VL 44 IS 28 BP 12735 EP 12742 DI 10.1039/c5dt01639h PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CM7TO UT WOS:000357899600036 PM 26087249 ER PT S AU Love, J Amai, W Blada, T Little, C Neely, J Buerger, S AF Love, Joshua Amai, Wendy Blada, Timothy Little, Charles Neely, Jason Buerger, Stephen BE Pham, T Kolodny, MA TI The Sandia Architecture for Heterogeneous Unmanned System Control (SAHUC) SO GROUND/AIR MULTISENSOR INTEROPERABILITY, INTEGRATION, AND NETWORKING FOR PERSISTENT ISR VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Ground/Air Multisensor Interoperability, Integration, and Networking for Persistent ISR VI CY APR 20-22, 2015 CL Baltimore, MD SP SPIE DE SAHUC; physical security; heterogeneous; distributed; unmanned; ISR; architecture; hierarchical control AB The Sandia Architecture for Heterogeneous Unmanned System Control (SAHUC) was produced as part of a three year internally funded project performed by Sandia's Intelligent Systems, Robotics, and Cybernetics group (ISRC). ISRC created SAHUC to demonstrate how teams of Unmanned Systems (UMS) can be used for small-unit tactical operations incorporated into the protection of high-consequence sites. Advances in Unmanned Systems have provided crucial autonomy capabilities that can be leveraged and adapted to physical security applications. SAHUC applies these capabilities to provide a distributed ISR network for site security. This network can be rapidly re-tasked to respond to changing security conditions. The SAHUC architecture contains multiple levels of control. At the highest level a human operator inputs objectives for the network to accomplish. The heterogeneous unmanned systems automatically decide which agents can perform which objectives and then decide the best global assignment. The assignment algorithm is based upon coarse metrics that can be produced quickly. Responsiveness was deemed more crucial than optimality for responding to time-critical physical security threats. Lower levels of control take the assigned objective, perform online path planning, execute the desired plan, and stream data (LIDAR, video, GPS) back for display on the user interface. SAHUC also retains an override capability, allowing the human operator to modify all autonomous decisions whenever necessary. SAHUC has been implemented and tested with UAVs, UGVs, and GPS-tagged blue/red force actors. The final demonstration illustrated how a small fleet, commanded by a remote human operator, could aid in securing a facility and responding to an intruder C1 [Love, Joshua; Amai, Wendy; Blada, Timothy; Little, Charles; Neely, Jason; Buerger, Stephen] Sandia Natl Labs, Intelligent Syst Robot & Cybernet Grp, Albuquerque, NM 87185 USA. RP Love, J (reprint author), Sandia Natl Labs, Intelligent Syst Robot & Cybernet Grp, POB 5800 MS 1010, Albuquerque, NM 87185 USA. EM sbuerge@sandia.gov NR 12 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-580-3 J9 PROC SPIE PY 2015 VL 9464 AR 94640E DI 10.1117/12.2179421 PG 10 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BD1GR UT WOS:000358003400008 ER PT B AU Sreedhar, I Motkuri, RK Raghavan, KV AF Sreedhar, I. Motkuri, Radha Kishan Raghavan, K. V. BE Raghavan, KV Reddy, BM TI MICROENVIRONMENT MANAGEMENT IN HETEROGENEOUS CATALYSIS SO INDUSTRIAL CATALYSIS AND SEPARATIONS: INNOVATIONS FOR PROCESS INTENSIFICATION LA English DT Article; Book Chapter DE Microenvironment; Heterogeneous catalysis; Oxidation reactions; Organic nitrations; Para-selectivity in nitration; Synthesis of Macrocycles; Calix[4]pyrroles; MCM-41; Micelle template silica ID TOLUENE C1 [Sreedhar, I.] BITS Pilani Hyderabad Campus, Dept Chem Engn, Hyderabad 500078, Andhra Pradesh, India. [Motkuri, Radha Kishan] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Raghavan, K. V.] Indian Inst Chem Technol, CSIR, React Engn Lab, Hyderabad 500007, Andhra Pradesh, India. RP Sreedhar, I (reprint author), BITS Pilani Hyderabad Campus, Dept Chem Engn, Hyderabad 500078, Andhra Pradesh, India. EM radhakishan.motkuri@pnnl.gov; kondapuramiict@yahoo.com NR 24 TC 1 Z9 1 U1 0 U2 0 PU APPLE ACAD PRESS INC PI OAKVILLE PA 3333 MISTWELL CRESCENT, OAKVILLE, ON L6L 0A2, CANADA BN 978-1-4822-3426-8; 978-1-926895-96-3 PY 2015 BP 43 EP 57 PG 15 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA BC8SC UT WOS:000356055300004 ER PT B AU Motkuri, RK Liu, J Fernandez, CA Nune, SK Thallapally, P Mcgrail, BP AF Motkuri, Radha Kishan Liu, Jian Fernandez, Carlos A. Nune, Satish K. Thallapally, Praveen Mcgrail, B. Pete BE Raghavan, KV Reddy, BM TI METAL ORGANIC FRAMEWORKS-SYNTHESIS AND APPLICATIONS SO INDUSTRIAL CATALYSIS AND SEPARATIONS: INNOVATIONS FOR PROCESS INTENSIFICATION LA English DT Article; Book Chapter DE Adsorption chiller; CO2 capture; Gas capture and separation; Heterogeneous catalysis; Metal-organic frameworks; Oil spill cleanup; Sensing applications, sensors; Water sorption ID POROUS COORDINATION POLYMERS; OIL-SPILL CLEANUP; CARBON-DIOXIDE CAPTURE; HYDROGEN STORAGE; MOLECULAR SIMULATION; CHROMIUM(III) CARBOXYLATE; ELECTROCHEMICAL SYNTHESIS; SEPARATION APPLICATIONS; STRUCTURAL TRANSITION; COVALENT MODIFICATION C1 [Motkuri, Radha Kishan; Liu, Jian; Nune, Satish K.; Mcgrail, B. Pete] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Fernandez, Carlos A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Thallapally, Praveen] Pacific NW Natl Lab, Fundamental & Computat Sci, Richland, WA 99352 USA. RP Motkuri, RK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, 902 Battelle Blvd, Richland, WA 99352 USA. EM radhakishan.motkuri@pnnl.gov NR 151 TC 0 Z9 0 U1 0 U2 2 PU APPLE ACAD PRESS INC PI OAKVILLE PA 3333 MISTWELL CRESCENT, OAKVILLE, ON L6L 0A2, CANADA BN 978-1-4822-3426-8; 978-1-926895-96-3 PY 2015 BP 61 EP 103 PG 43 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA BC8SC UT WOS:000356055300005 ER PT J AU Huang, JH Su, L Kowalski, JA Barton, JL Ferrandon, M Burrell, AK Brushett, FR Zhang, L AF Huang, Jinhua Su, Liang Kowalski, Jeffrey A. Barton, John L. Ferrandon, Magali Burrell, Anthony K. Brushett, Fikile R. Zhang, Lu TI A subtractive approach to molecular engineering of dimethoxybenzene-based redox materials for non-aqueous flow batteries SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID LITHIUM-ION BATTERIES; OVERCHARGE PROTECTION; ENERGY-STORAGE; SHUTTLE; PERFORMANCE; STABILITY; ELECTRODE AB The development of new high capacity redox activematerials is key to realizing the potential of non-aqueous redox flow batteries (RFBs). In this paper, a series of substituted 1,4-dimethoxybenzene based redox active molecules have been developed via a subtractive design approach. Five molecules have been proposed and developed by removing or reducing the bulky substituent groups of DBBB (2,5-di-tert-butyl-1,4-bis(2-methoxyethoxy) benzene), a successful overcharge protection material for lithium-ion batteries. Of these derivatives, 2,3-dimethyl-1,4-dimethoxybenzene (23DDB) and 2,5-dimethyl-1,4-dimethoxybenzene (25DDB) are particularly promising as they demonstrate favorable electrochemical characteristics at gravimetric capacities (161 mA h g(-1)) that approach the stability limit of chemically reversible dimethoxybenzene based structures. Diffusivity, solubility, and galvanostatic cycling results indicate that both 23DDB and 25DDB molecules have promise for non-aqueous RFBs. C1 [Huang, Jinhua; Su, Liang; Kowalski, Jeffrey A.; Barton, John L.; Ferrandon, Magali; Burrell, Anthony K.; Brushett, Fikile R.; Zhang, Lu] Argonne Natl Lab, Joint Ctr Energy Storage Res, Lemont, IL 60439 USA. [Huang, Jinhua; Ferrandon, Magali; Burrell, Anthony K.; Zhang, Lu] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Su, Liang; Kowalski, Jeffrey A.; Barton, John L.; Brushett, Fikile R.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA. RP Brushett, FR (reprint author), Argonne Natl Lab, Joint Ctr Energy Storage Res, 9700 S Cass Ave, Lemont, IL 60439 USA. EM brushett@mit.edu; luzhang@anl.gov FU Joint Center for Energy Storage Research, an Energy Innovation Hub - U.S. Department of Energy, Office of Science, Basic Energy Sciences; Argonne, a U.S. Department of Energy Office of Science Laboratory [DE-AC02-06CH11357]; DOE-EERE Office of Vehicle Technologies FX This work was supported as part of the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science Laboratory, is operated under Contract no. DE-AC02-06CH11357. DBBB, also referred to as ANL-2, was synthesized by Krzysztof Pupek and Trevor Dzwiniel at Argonne's Materials Engineering Research Facility and was funded by DOE-EERE Office of Vehicle Technologies. J.H. and L.S. contributed equally to this work. We thank Lei Cheng (ANL) for stimulating discussion. NR 22 TC 18 Z9 18 U1 2 U2 21 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 2015 VL 3 IS 29 BP 14971 EP 14976 DI 10.1039/c5ta02380g PG 6 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CN0UN UT WOS:000358129400004 ER PT J AU Zhao, ZH Hao, SM Hao, P Sang, YH Manivannan, A Wu, NQ Liu, H AF Zhao, Zhenhuan Hao, Shimeng Hao, Pin Sang, Yuanhua Manivannan, Ayyakkannu Wu, Nianqiang Liu, Hong TI Lignosulphonate-cellulose derived porous activated carbon for supercapacitor electrode SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID PARTIALLY GRAPHITIC STRUCTURE; MESOPOROUS CARBON; ENERGY-STORAGE; ELECTROCHEMICAL CAPACITORS; COMPOSITE ELECTRODES; PERFORMANCE; MICROSPHERES; FOAMS; WATER; NANOPARTICLES AB The notion of environmental protection and renewable sources for energy conversion and storage has become particularly important nowadays. In this research, a meso-microporous carbon was prepared by the combination of a template method and chemical activation with earth abundant cellulose and lignosulphonate as the sources. The as-synthesized meso-microporous carbon contained mesopores generated by regeneration of cellulose with the assistance of a silica template, and micropores created by chemical activation of carbon. Such a unique porous structure makes the as-synthesized meso-microporous carbon the ideal electrode active material for energy storage. The two-electrode symmetric supercapacitors built using the meso-microporous carbon electrodes show a specific capacitance of 286 F g(-1) at a current density of 0.25 A g(-1) in aqueous electrolyte. More importantly, the symmetric supercapacitor achieves a high energy density of 13 W h kg(-1) while at a high power density of 27 kW kg(-1). It is demonstrated that using renewable natural sources for the manufacturing of porous carbon with high performance for energy storage can be an effective way to lower the cost of a supercapacitor. C1 [Zhao, Zhenhuan; Hao, Pin; Sang, Yuanhua; Liu, Hong] Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China. [Zhao, Zhenhuan; Hao, Shimeng; Wu, Nianqiang] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26505 USA. [Manivannan, Ayyakkannu] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Liu, H (reprint author), Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China. EM Nick.Wu@mail.wvu.edu; hongliu@sdu.edu.cn RI Wu, Nianqiang/B-9798-2015 OI Wu, Nianqiang/0000-0002-8888-2444 FU URS grant under the U. S. DOE/ENTL contract [4000.5.682.998.001B]; National Natural Science Foundation of China [51372142]; Innovation Research Group [IRG: 51321091]; "100 Talents Program" of the Chinese Academy of Sciences FX This work is partially supported by an URS grant under the U. S. DOE/ENTL contract (4000.5.682.998.001B). The use of the WVU Shared Facility is appreciated. The authors are grateful for the financial support by the National Natural Science Foundation of China (Grant no. 51372142), Innovation Research Group (IRG: 51321091) and the "100 Talents Program" of the Chinese Academy of Sciences. NR 48 TC 8 Z9 8 U1 9 U2 49 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 2015 VL 3 IS 29 BP 15049 EP 15056 DI 10.1039/c5ta02770e PG 8 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CN0UN UT WOS:000358129400016 ER PT J AU Ranasingha, OK Wang, CJ Ohodnicki, PR Lekse, JW Lewis, JP Matranga, C AF Ranasingha, Oshadha K. Wang, Congjun Ohodnicki, Paul R., Jr. Lekse, Jonathan W. Lewis, James P. Matranga, Christopher TI Synthesis, characterization, and photocatalytic activity of Au-ZnO nanopyramids SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID ONE-POT SYNTHESIS; RIETVELD REFINEMENT; VISIBLE-LIGHT; NANOPARTICLE COMPOSITES; NANOSTRUCTURES; NANOCOMPOSITES; PARTICLES; GROWTH; DEGRADATION; STRAIN AB Nanocrystalline Au-ZnO heterostructures were synthesized using a wet-chemical process where single-crystalline ZnO grows along the [0001] direction on top of polycrystalline Au seeds. High resolution transmission electron microscopy finds a 3.5% expansion of the ZnO (002) plane at the heterostructure interface. Rietveld analysis of X-ray diffraction patterns from ZnO and Au-ZnO powders find that the crystallographic microstrain in the metal oxide is 0.047% and 0.146%, respectively, illustrating that the crystallographic expansion at the heterostructure interface is detectable by bulk characterization techniques. Broad-band photo-degradation studies with methylene blue find that the Au-ZnO heterostructures decompose the dye 6 times faster than pure ZnO. Wavelength-dependent photodegradation studies illustrate direct gap excitation of the ZnO component of the heterostructure is required to initiate dye decomposition. The mechanistic details leading to this photocatalytic activity are discussed. C1 [Ranasingha, Oshadha K.; Lewis, James P.] W Virginia Univ, Dept Phys & Astron, Morgantown, WV 26506 USA. [Ranasingha, Oshadha K.; Wang, Congjun; Ohodnicki, Paul R., Jr.; Lekse, Jonathan W.; Lewis, James P.; Matranga, Christopher] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Wang, Congjun; Lekse, Jonathan W.] URS Corp, South Pk, PA 15129 USA. RP Matranga, C (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM oranasin@mix.wvu.edu; christopher.matranga@netl.doe.gov FU RES [DE-FE0004000]; agency of the United States Government FX This technical effort was performed under RES contract DE-FE0004000. This report was prepared as an account of work sponsored by an agency of the United States Government. The U.S. Government is authorized to reproduce and distribute reprints for Government purposes notwithstanding any copyright notation hereon. NR 34 TC 14 Z9 14 U1 3 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7488 EI 2050-7496 J9 J MATER CHEM A JI J. Mater. Chem. A PY 2015 VL 3 IS 29 BP 15141 EP 15147 DI 10.1039/c5ta01344e PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CN0UN UT WOS:000358129400027 ER PT J AU Khatiwada, D Venkatesan, S Chen, QL Chen, JH Adhikari, N Dubey, A Mitul, A Mohammed, L Qiao, QQ AF Khatiwada, Devendra Venkatesan, Swaminathan Chen, Qiliang Chen, Jihua Adhikari, Nirmal Dubey, Ashish Mitul, Abu Farzan Mohammed, Lal Qiao, Qiquan TI Improved performance by morphology control via fullerenes in PBDT-TBT-alkoBT based organic solar cells SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID DOMAIN PURITY; POLYMER; EFFICIENCY; RECOMBINATION; SOLVENT AB In this work, we report improved performance by controlling morphology using different fullerene derivatives in poly{2-octyldodecyloxy-benzo[1,2-b; 3,4-b]dithiophene-alt-5,6-bis(dodecyloxy)-4,7-di(thieno[3,2-b]thiophen-2-yl)-benzo[c][1,2,5] thiadiazole} (PBDT-TBT-alkoBT) based organic solar cells. PC60BM and PC70BM fullerenes were used to investigate the characteristic changes in morphology and device performance. Fullerenes affect device efficiency by changing the active layer morphology. PC70BM with broader absorption than PC60BM resulted in reduced device performance which was elucidated by the intermixed granular morphology separating each larger grain in the PC70BM/polymer composite layer which created a higher density of traps. However after adding additive 1,8-diiodooctane (DIO), a fibrous morphology was observed due to the reduced solubility of the polymer and increased solubility of PC70BM in chloroform. The fibrous morphology improved charge transport leading to an increase in overall device performance. Atomic force microscopy (AFM), photo-induced charge extraction by linearly increasing voltage (photo-CELIV), and Kelvin probe force microscopy (KPFM) were used to investigate the nanoscale morphology of the active layer with different fullerene derivatives. For the PC60BM based active layer, AFM images revealed a dense fibrous morphology and more distinct fibrous morphology was observed by adding DIO. The PC70BM based active layer only exhibited an intermixed granular morphology instead of a fibrous morphology observed in the PC60BM based active layer. However, addition of DIO into the PC70BM based active layer led to fibrous morphology. When additive DIO was not used, a wider distribution of surface potential was observed for PC70BM than the PC60BM based active layer by KPFM measurements, indicating that polymer and fullerene domains are separated. When DIO was used, a narrower distribution of surface potential for both PC70BM and PC60BM based active layers was observed. Photo-CELIV experiments showed larger extracted charge carrier density and mobility in the PC70BM/DIO film. C1 [Khatiwada, Devendra; Venkatesan, Swaminathan; Chen, Qiliang; Adhikari, Nirmal; Dubey, Ashish; Mitul, Abu Farzan; Mohammed, Lal; Qiao, Qiquan] S Dakota State Univ, Dept Elect Engn & Comp Sci, Ctr Adv Photovolta, Brookings, SD 57007 USA. [Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Qiao, QQ (reprint author), S Dakota State Univ, Dept Elect Engn & Comp Sci, Ctr Adv Photovolta, Brookings, SD 57007 USA. EM qiquan.qiao@sdstate.edu RI Chen, Jihua/F-1417-2011; Venkatesan, Swaminathan/D-8809-2014 OI Chen, Jihua/0000-0001-6879-5936; Venkatesan, Swaminathan/0000-0003-2213-0255 FU NASA EPSCoR [NNX13AD31A]; NSF CAREER [ECCS-0950731]; NSF MRI [1229577] FX This research was benefited from the grants including NASA EPSCoR (NNX13AD31A), NSF CAREER (ECCS-0950731), and NSF MRI (grant no. 1229577). TEM (J.C.) experiments were conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. NR 33 TC 8 Z9 8 U1 4 U2 19 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 2015 VL 3 IS 29 BP 15307 EP 15313 DI 10.1039/c5ta02709h PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CN0UN UT WOS:000358129400047 ER PT J AU Liu, Q Li, Z Okasinski, JS Ren, Y Sun, YG AF Liu, Qi Li, Zheng Okasinski, John S. Ren, Yang Sun, Yugang TI In situ high-energy synchrotron X-ray diffraction revealing precipitation reaction kinetics of silver ions with mixed halide ions SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID AG-AT-AGCL; VISIBLE-LIGHT; PHOTOCATALYTIC ACTIVITY; PLASMONIC PHOTOCATALYST; HYDROGEN GENERATION; NANOWIRES; EFFICIENT; NANOPARTICLES; CONVERSION; FIBERS AB Precipitation of silver ions simultaneously with chloride and bromide ions in ethylene glycol at a mild temperature (e.g., 60 degrees C) has been successfully demonstrated for the synthesis of silver chlorobromide (AgClxBr1-x, 0 < x < 1) nanoparticles, which is realized by injecting a AgNO3 solution into a solution containing both halogen ions. The injection rate of the AgNO3 solution has been determined to be critical for controlling the uniformity of AgClxBr1-x nanoparticles. Time-resolved in situ high-energy synchrotron X-ray diffraction has been applied, for the first time, to quantitatively monitor the reaction kinetics of nanocrystal formation. The real-time results shed light on the fact that the injection rate of AgNO3 solution significantly influences the nucleation and growth processes, and thus the quality of resulting AgClxBr1-x nanoparticles. Specifically, fast injection enables the complete addition of AgNO3 solution to the reaction solution before the nucleation process starts, leading to a good separation of nucleation and growth and thus the formation of uniform AgClxBr1-x nanocubes with well-defined composition and narrow size distribution. By contrast, slow injection results in a continuous addition of AgNO3 solution to the reaction solution even after nucleation starts, leading to continuous multiple nucleation/growth processes and thus the formation of AgClxBr1-x nanoparticles with broad dimensional and morphological distributions. C1 [Liu, Qi; Li, Zheng; Sun, Yugang] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Okasinski, John S.; Ren, Yang] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. RP Sun, YG (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave, Argonne, IL 60439 USA. EM ygsun@anl.gov RI Sun, Yugang /A-3683-2010; Li, Zheng/L-1355-2016 OI Sun, Yugang /0000-0001-6351-6977; Li, Zheng/0000-0001-5281-8101 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357] FX The use of the Center for Nanoscale Materials was granted by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. NR 35 TC 2 Z9 2 U1 3 U2 14 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 2015 VL 3 IS 28 BP 7492 EP 7498 DI 10.1039/c5tc01306b PG 7 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CM6NK UT WOS:000357805300030 ER PT J AU Karimi, S Martz, H Cosman, P AF Karimi, Seemeen Martz, Harry Cosman, Pamela TI Metal artifact reduction for CT-based luggage screening SO JOURNAL OF X-RAY SCIENCE AND TECHNOLOGY LA English DT Article DE Metal artifacts; metal artifact reduction; computed tomography; luggage screening; constrained optimization ID STATISTICAL IMAGE-RECONSTRUCTION; RAY COMPUTED-TOMOGRAPHY; MULTISLICE HELICAL CT; DUAL-ENERGY CT; EMISSION-TOMOGRAPHY; SEGMENTATION; MINIMIZATION; SUPPRESSION; ALGORITHM; SELECTION AB BACKGROUND: In aviation security, checked luggage is screened by computed tomography scanning. Metal objects in the bags create artifacts that degrade image quality. Though there exist metal artifact reduction (MAR) methods mainly in medical imaging literature, they require knowledge of the materials in the scan, or are outlier rejection methods. OBJECTIVE: To improve and evaluate a MAR method we previously introduced, that does not require knowledge of the materials in the scan, and gives good results on data with large quantities and different kinds of metal. METHODS: We describe in detail an optimization which de-emphasizes metal projections and has a constraint for beam hardening and scatter. This method isolates and reduces artifacts in an intermediate image, which is then fed to a previously published sinogram replacement method. We evaluate the algorithm for luggage data containing multiple and large metal objects. We define measures of artifact reduction, and compare this method against others in MAR literature. RESULTS: Metal artifacts were reduced in our test images, even for multiple and large metal objects, without much loss of structure or resolution. CONCLUSION: Our MAR method outperforms the methods with which we compared it. Our approach does not make assumptions about image content, nor does it discard metal projections. C1 [Karimi, Seemeen; Cosman, Pamela] Univ Calif San Diego, San Diego, CA 92093 USA. [Martz, Harry] Lawrence Livermore Natl Lab, San Francisco, CA USA. RP Karimi, S (reprint author), Univ Calif San Diego, San Diego, CA 92093 USA. EM seemeen.karimi@gmail.com FU Lawrence Livermore National Laboratory; Science and Technology Directorate of the Department of Homeland Security FX This work was supported by Lawrence Livermore National Laboratory and the Science and Technology Directorate of the Department of Homeland Security. Scanner data were supplied by the ALERT group at Northeastern University. The authors thank P. Jin for forward projection software, Dr. T. Partridge for information about the Imatron scanner, and Drs. X. Jiang and C. Crawford for helpful reviews of this work. NR 63 TC 1 Z9 1 U1 0 U2 7 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0895-3996 EI 1095-9114 J9 J X-RAY SCI TECHNOL JI J. X-Ray Sci. Technol. PY 2015 VL 23 IS 4 BP 435 EP 451 DI 10.3233/XST-150499 PG 17 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA CM3TV UT WOS:000357608400003 PM 26410655 ER PT J AU Bora, M Shusteff, M AF Bora, M. Shusteff, M. TI Efficient coupling of acoustic modes in microfluidic channel devices SO LAB ON A CHIP LA English DT Article ID ULTRASONIC PARTICLE-CONCENTRATION; MANIPULATION; SEPARATION; SYSTEMS; WAVES; CHIPS; FLOW; CELL AB This work introduces a new numerical simulation approach to acoustic microfluidic chip design based on coupled-resonator theory. A simplified acoustofluidic device operating in the transverse elastic mode is investigated and optimized for maximal pressure standing wave amplitude. This design approach provides insights into the symmetry and frequency characteristics of acoustic chip resonances that cannot be obtained from analysis based on wave propagation arguments. The new approach reveals that optimal performance requires spatial symmetry-matching and frequency-matching of the full device's elastic resonance to the channel's acoustic resonance. Symmetry selection is demonstrated for a three terminal piezoelectric transducer actuation scheme showing suppression of opposite-symmetry and enhancement of same-symmetry acoustic modes. Excitation of ultrasonic waves exhibits the anti-crossing behaviour predicted by coupled mode theory with the acoustic mode splitting into two distinct branches. Increased efficiency of energy transfer from the transducer into the fluid, with its corresponding increase in pressure amplitude, suggests a potential path toward significant increases in acoustic separator performance. C1 [Bora, M.; Shusteff, M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Bora, M (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM bora1@llnl.gov FU U.S. Department of Energy, 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. We thank Dr. Jack Kotovsky for his insightful comments on the manuscript. LLNL-JRNL-664577. NR 34 TC 1 Z9 1 U1 5 U2 18 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 2015 VL 15 IS 15 BP 3192 EP 3202 DI 10.1039/c5lc00343a PG 11 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA CM9IU UT WOS:000358022900012 PM 26118358 ER PT S AU Tourret, D Karma, A Clarke, AJ Gibbs, PJ Imhoff, SD AF Tourret, D. Karma, A. Clarke, A. J. Gibbs, P. J. Imhoff, S. D. GP IOP TI Three-dimensional Dendritic Needle Network model with application to Al-Cu directional solidification experiments SO MCWASP XIV: INTERNATIONAL CONFERENCE ON MODELLING OF CASTING, WELDING AND ADVANCED SOLIDIFICATION PROCESSES SE IOP Conference Series-Materials Science and Engineering LA English DT Proceedings Paper CT 14th International Conference on Modeling of Casting, Welding and Advanced Solidification Processes (MCWASP) CY JUN 21-26, 2015 CL JAPAN ID PHASE-FIELD; GROWTH AB We present a three-dimensional (3D) extension of a previously proposed multi-scale Dendritic Needle Network (DNN) approach for the growth of complex dendritic microstructures. Using a new formulation of the DNN dynamics equations for dendritic paraboloid-branches of a given thickness, one can directly extend the DNN approach to 3D modeling. We validate this new formulation against known scaling laws and analytical solutions that describe the early transient and steady-state growth regimes, respectively. Finally, we compare the predictions of the model to in situ X-ray imaging of Al-Cu alloy solidification experiments. The comparison shows a very good quantitative agreement between 3D simulations and thin sample experiments. It also highlights the importance of full 3D modeling to accurately predict the primary dendrite arm spacing that is significantly over-estimated by 2D simulations. C1 [Tourret, D.; Karma, A.] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [Tourret, D.; Karma, A.] Ctr Interdisciplinary Res Complex Syst, Boston, MA USA. [Tourret, D.; Clarke, A. J.; Gibbs, P. J.; Imhoff, S. D.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM USA. RP Tourret, D (reprint author), Northeastern Univ, Dept Phys, Boston, MA 02115 USA. EM dtourret@lanl.gov RI Tourret, Damien/B-2854-2017 OI Tourret, Damien/0000-0003-4574-7004 NR 20 TC 5 Z9 5 U1 0 U2 15 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1757-8981 J9 IOP CONF SER-MAT SCI PY 2015 VL 84 AR 012082 DI 10.1088/1757-899X/84/1/012082 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA BD1AC UT WOS:000357879700082 ER PT S AU Carson, CG Goueguel, C Jain, J McIntyre, D AF Carson, Cantwell G. Goueguel, Christian Jain, Jinesh McIntyre, Dustin BE George, T Dutta, AK Islam, MS TI Development of a laser induced breakdown spectroscopy sensor to assess groundwater quality impacts resulting from geologic carbon sequestration SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications VII CY APR 20-24, 2015 CL Baltimore, MD SP SPIE DE LIBS; CO2 sequestration ID BULK AQUEOUS-SOLUTIONS; OCEANIC PRESSURES; CO2; LIBS; STORAGE; PROJECTS; LEAKAGE; FIELDS; WATER AB The injection of CO2 into deep aquifers can potentially affect the quality of groundwater supplies were leakage to occur from the injection formation or fluids. Therefore, the detection of CO2 and/or entrained contaminants that migrate into shallow groundwater aquifers is important both to assess storage permanence and to evaluate impacts on water resources. Naturally occurring elements (i.e., Li, Sr) in conjunction with isotope ratios can be used to detect such leakage. We propose the use of laser induced breakdown spectroscopy (LIBS) as an analytical technique to detect a suite of elements in water samples. LIBS has real time monitoring capabilities and can be applied for elemental and isotopic analysis of solid, liquid, and gas samples. The flexibility of probe design and use of fiber optics make it a suitable technique for real time measurements in harsh conditions and in hard to reach places. The laboratory scale experiments to measure Li, K, Ca, and Sr composition of water samples indicate that the technique produces rapid and reliable data. Since CO2 leakage from saline aquifers may accompany a brine solution, we studied the effect of sodium salts on the accuracy of LIBS analysis. This work specifically also details the fabrication and application of a miniature ruggedized remotely operated diode pumped solid state passively Q-switched laser system for use as the plasma excitation source for a real time LIBS analysis. This work also proposes the optical distribution of many laser spark sources across a wide area for widespread leak detection and basin monitoring. C1 [Carson, Cantwell G.; Goueguel, Christian; Jain, Jinesh; McIntyre, Dustin] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Carson, CG (reprint author), Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. NR 37 TC 0 Z9 0 U1 2 U2 12 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-583-4 J9 PROC SPIE PY 2015 VL 9467 AR 94671K DI 10.1117/12.2175538 PG 15 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BD0IX UT WOS:000357259000030 ER PT S AU Ohodnicki, PR Credle, S Buric, M Lewis, R Seachman, S AF Ohodnicki, P. R., Jr. Credle, S. Buric, M. Lewis, R. Seachman, S. BE George, T Dutta, AK Islam, MS TI High Temperature, Harsh Environment Sensors for Advanced Power Generation Systems SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications VII CY APR 20-24, 2015 CL Baltimore, MD SP SPIE ID SURFACE-PLASMON RESONANCE; THIN-FILMS; GAS; SENSITIVITY; OXIDES; CO AB One mission of the Crosscutting Technology Research program at the National Energy Technology Laboratory is to develop a suite of sensors and controls technologies that will ultimately increase efficiencies of existing fossil-fuel fired power plants and enable a new generation of more efficient and lower emission power generation technologies. The program seeks to accomplish this mission through soliciting, managing, and monitoring a broad range of projects both internal and external to the laboratory which span sensor material and device development, energy harvesting and wireless telemetry methodologies, and advanced controls algorithms and approaches. A particular emphasis is placed upon harsh environment sensing for compatibility with high temperature, erosive, corrosive, and highly reducing or oxidizing environments associated with large-scale centralized power generation. An overview of the full sensors and controls portfolio is presented and a selected set of current and recent research successes and on-going projects are highlighted. A more detailed emphasis will be placed on an overview of the current research thrusts and successes of the in-house sensor material and device research efforts that have been established to support the program. C1 [Ohodnicki, P. R., Jr.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Ohodnicki, P. R., Jr.] Carnegie Mellon Univ, Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Credle, S.; Buric, M.; Seachman, S.] Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Lewis, R.] US DOE, Off Fossil Energy, Washington, DC 20585 USA. RP Ohodnicki, PR (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. NR 67 TC 0 Z9 0 U1 2 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-583-4 J9 PROC SPIE PY 2015 VL 9467 AR 94671M DI 10.1117/12.2178016 PG 20 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BD0IX UT WOS:000357259000032 ER PT S AU Peters, DW Davids, PS Kim, JK Beechem, TE Howell, SW Leonhardt, D Ohta, T Wendt, JR Montoya, JA AF Peters, David W. Davids, Paul S. Kim, Jin K. Beechem, Thomas E. Howell, Steven W. Leonhardt, Darin Ohta, Taisuke Wendt, Joel R. Montoya, John A. BE George, T Dutta, AK Islam, MS TI Plasmonic Nanoantennas for Enhanced Midwave and Longwave Infrared Imaging SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications VII CY APR 20-24, 2015 CL Baltimore, MD SP SPIE DE nanoantenna; infrared; detector; metasurface; metamaterial AB Conversion of plane waves to surface waves prior to detection allows key advantages in changes to the architecture of the detector pixels in a focal plane array. We have integrated subwavelength patterned metal nanoantennas with various detector materials to incorporate these advantages: midwave infrared indium gallium arsenide antimonide detectors and longwave infrared graphene detectors. Nanoantennas offer a means to make infrared detectors much thinner by converting incoming plane waves to more tightly bound and concentrated surface waves. Thinner architectures reduce both dark current and crosstalk for improved performance. For graphene detectors, which are only one or two atomic layers thick, such field concentration is a necessity for usable device performance, as single pass plane wave absorption is insufficient. Using III-V detector material, we reduced thickness by over an order of magnitude compared to traditional devices. We will discuss Sandia's motivation for these devices, which go beyond simple improvement in traditional performance metrics. The simulation methodology and design rules will be discussed in detail. We will also offer an overview of the fabrication processes required to make these subwavelength structures on at times complex underlying devices based on III-V detector material or graphene on silicon or silicon carbide. Finally, we will present our latest infrared detector characterization results for both III-V and graphene structures. C1 [Peters, David W.; Davids, Paul S.; Kim, Jin K.; Beechem, Thomas E.; Howell, Steven W.; Leonhardt, Darin; Ohta, Taisuke; Wendt, Joel R.; Montoya, John A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Peters, DW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM dwpeter@sandia.gov NR 5 TC 0 Z9 0 U1 4 U2 14 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-583-4 J9 PROC SPIE PY 2015 VL 9467 AR 946729 DI 10.1117/12.2177440 PG 6 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BD0IX UT WOS:000357259000051 ER PT S AU Yan, AD Zaghloul, M Poole, ZL Ohodnicki, P Buric, M Chen, KP AF Yan, Aidong Zaghloul, Mohamed Poole, Zsolt L. Ohodnicki, Paul Buric, Michael Chen, Kevin P. BE George, T Dutta, AK Islam, MS TI Ultra-high temperature fiber optical chemical sensors based on nano-porous metal oxides SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications VII CY APR 20-24, 2015 CL Baltimore, MD SP SPIE DE fiber optical sensor; hydrogen measurement; fiber Bragg grating; high temperature; nano-porous metal oxide ID HYDROGEN SENSOR; SENSING APPLICATIONS; GAS SENSOR; FILMS AB This paper presents fiber optical gas sensors based on nano-porous metal oxide functional materials for high-temperature energy applications. A solution-based approach was used to produce nano-porous functional metal oxide and their dopant variants as sensing films, which was integrated on high-temperature stable FBGs in D-shaped silica fibers and sapphire fibers. The Bragg grating peaks were used to monitor the refractive index change and optical absorption loss due to the redox reaction between Pd-doped TiO2 and hydrogen from the room temperature to 800 degrees C. The experimental results show the sensor's response is reversible for hydrogen concentration between 0.1 vol.% to 5 vol. %. The response time of the hydrogen sensor is <8s. C1 [Yan, Aidong; Zaghloul, Mohamed; Poole, Zsolt L.; Chen, Kevin P.] Univ Pittsburg, Dept Elect & Comp Engn, Pittsburgh, PA 15261 USA. [Ohodnicki, Paul] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Buric, Michael] Natl Energy Technol Lab, Morgantown, WV 26505 USA. RP Chen, KP (reprint author), Univ Pittsburg, Dept Elect & Comp Engn, Pittsburgh, PA 15261 USA. EM pchenc@gmail.com NR 20 TC 0 Z9 0 U1 2 U2 9 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-583-4 J9 PROC SPIE PY 2015 VL 9467 AR 94671I DI 10.1117/12.2178147 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BD0IX UT WOS:000357259000028 ER PT J AU Gizzatov, A Hernaandez-Rivera, M Keshishian, V Mackeyev, Y Law, JJ Guven, A Sethi, R Qu, FF Muthupillai, R Cabreira-Hansen, MD Willerson, JT Perin, EC Ma, Q Bryante, RG Wilson, LJ AF Gizzatov, Ayrat Hernandez-Rivera, Mayra Keshishian, Vazrik Mackeyev, Yuri Law, Justin J. Guven, Adem Sethi, Richa Qu, Feifei Muthupillai, Raja Cabreira-Hansen, Maria da Graca Willerson, James T. Perin, Emerson C. Ma, Qing Bryante, Robert G. Wilson, Lon J. TI Surfactant-free Gd3+-ion-containing carbon nanotube MRI contrast agents for stem cell labeling SO NANOSCALE LA English DT Article ID IRON-OXIDE NANOPARTICLES; GRAPHENE NANORIBBONS; GADONANOTUBES; RELAXIVITY; TRACKING; NANOSTRUCTURES; NANOCONSTRUCTS; ENHANCEMENT; CONFINEMENT; RELAXATION AB There is an ever increasing interest in developing new stem cell therapies. However, imaging and tracking stem cells in vivo after transplantation remains a serious challenge. In this work, we report new, functionalized and high-performance Gd3+-ion-containing ultra-short carbon nanotube (US-tube) MRI contrast agent (CA) materials which are highly-water-dispersible (ca. 35 mg ml(-1)) without the need of a surfactant. The new materials have extremely high T-1-weighted relaxivities of 90 (mM s)(-1) per Gd3+ ion at 1.5 T at room temperature and have been used to safely label porcine bone-marrow-derived mesenchymal stem cells for MR imaging. The labeled cells display excellent image contrast in phantom imaging experiments, and TEM images of the labeled cells, in general, reveal small clusters of the CA material located within the cytoplasm with 10(9) Gd3+ ions per cell. C1 [Gizzatov, Ayrat; Hernandez-Rivera, Mayra; Keshishian, Vazrik; Mackeyev, Yuri; Law, Justin J.; Guven, Adem; Sethi, Richa; Wilson, Lon J.] Rice Univ, Richard E Smalley Inst Nanoscale Sci & Technol, Dept Chem, Houston, TX 77251 USA. [Qu, Feifei; Muthupillai, Raja] St Lukes Episcopal Hosp, Dept Radiol, Houston, TX 77030 USA. [Cabreira-Hansen, Maria da Graca; Willerson, James T.; Perin, Emerson C.] St Lukes Episcopal Hosp, Texas Heart Inst, Stem Cell Ctr, Houston, TX 77225 USA. [Ma, Qing] Northwestern Synchrotron Res, DND CAT, Adv Photon Source, Argonne, IL 60439 USA. [Bryante, Robert G.] Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA. RP Wilson, LJ (reprint author), Rice Univ, Richard E Smalley Inst Nanoscale Sci & Technol, Dept Chem, 6100 Main St, Houston, TX 77251 USA. EM durango@rice.edu FU The Welch Foundation [C-0627]; NSF [0940902]; E.I. DuPont de Nemours Co.; Dow Chemical Company; State of Illinois; U.S. Dept. of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX A. G., M. H. R., Y. M., J. J. L., and L. J. W. acknowledge The Welch Foundation (C-0627) and the NSF Graduate Research Fellowship Program (GRFP) 0940902 (J.J.L.) for partial support of this work. The authors thank Allan Prejusa for flow cytometry analysis and Ralph Nichols for acquiring the TEM images (Texas Heart Institute at St. Luke's Episcopal Hospital, Houston, TX, USA), and Dr. Maximillian Buja (University of Texas Health Science Center of Houston, Houston, TX, USA) for his assistance with TEM analysis. The X-ray absorption spectroscopy work was carried out at the DuPont-Northwestern-Dow-Collaborative Access Team (DND-CAT) beamline at the Advanced Photon Source. the DND-CAT was supported by E.I. DuPont de Nemours & Co., the Dow Chemical Company and the State of Illinois. Use of the APS was supported by the U.S. Dept. of Energy, Office of Science, Office of Basic Energy Sciences, under Contract no. DE-AC02-06CH11357. NR 29 TC 7 Z9 7 U1 6 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 28 BP 12085 EP 12091 DI 10.1039/c5nr02078f PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CM6NO UT WOS:000357805700032 PM 26119138 ER PT S AU Sheen, DM AF Sheen, David M. BE Wikner, DA Luukanen, AR TI Noise analysis for near field 3-D FM-CW radar imaging systems SO PASSIVE AND ACTIVE MILLIMETER-WAVE IMAGING XVIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Passive and Active Millimeter-Wave Imaging XVIII CY APR 23, 2015 CL Baltimore, MD SP SPIE DE Millimeter waves; imaging; personnel surveillance; personnel screening; concealed-weapon detection ID CONCEALED WEAPON DETECTION; MILLIMETER-WAVE; TERAHERTZ AB Near field radar imaging systems are used for demanding security applications including concealed weapon detection in airports and other high-security venues. Despite the near-field operation, phase noise and thermal noise can limit performance in several ways. Practical imaging systems can employ arrays with low gain antennas and relatively large signal distribution networks that have substantial losses which limit transmit power and increase the effective noise figure of the receiver chain, resulting in substantial thermal noise. Phase noise can also limit system performance. The signal coupled from transmitter to receiver is much larger than expected target signals. Phase noise from this coupled signal can set the system noise floor if the oscillator is too noisy. Frequency modulated continuous wave (FM-CW) radar transceivers used in short range systems are relatively immune to the effects of the coupled phase noise due to range correlation effects. This effect can reduce the phase-noise floor such that it is below the thermal noise floor for moderate performance oscillators. Phase noise is also manifested in the range response around bright targets, and can cause smaller targets to be obscured. Noise in synthetic aperture imaging systems is mitigated by the processing gain of the system. In this paper, the effects of thermal noise, phase noise, and processing gain are analyzed in the context of a near field 3-D FM-CW imaging radar as might be used for concealed weapon detection. In addition to traditional frequency domain analysis, a time-domain simulation is employed to graphically demonstrate the effect of these noise sources on a fast-chirping FM-CW system. C1 Pacific NW Natl Lab, Battelle Mem Inst, US DOE, Richland, WA 99352 USA. RP Sheen, DM (reprint author), Pacific NW Natl Lab, Battelle Mem Inst, US DOE, POB 999, Richland, WA 99352 USA. EM david.sheen@pnnl.gov NR 14 TC 0 Z9 0 U1 2 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-578-0 J9 PROC SPIE PY 2015 VL 9462 AR 946206 DI 10.1117/12.2180032 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0QE UT WOS:000357564200003 ER PT S AU Ben Dixon, P Murphy, R Rosenberg, D Grein, ME Stelmakh, V Bennink, RS Wong, FNC AF Ben Dixon, P. Murphy, Ryan Rosenberg, Danna Grein, Matthew E. Stelmakh, Veronika Bennink, Ryan S. Wong, Franco N. C. BE Donkor, E Pirich, AR Hayduk, M TI High heralding-efficiency of near-IR fiber coupled photon pairs for quantum technologies SO QUANTUM INFORMATION AND COMPUTATION XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Quantum Information and Computation XIII CY APR 22-24, 2015 CL Baltimore, MD SP SPIE DE Quantum information; heralding efficiency; entanglement ID PERIODICALLY POLED KTIOPO4; CRYPTOGRAPHY; GENERATION; RBTIOASO4; VIOLATION; KTIOASO4; CRYSTALS AB We report on the development and use of a high heralding-efficiency, single-mode-fiber coupled telecom-band source of entangled photons for quantum technology applications. The source development efforts consisted of theoretical and experimental efforts and we demonstrated a correlated-mode coupling efficiency of 97% 2%, the highest efficiency yet achieved for this type of system. We then incorporated these beneficial source development techniques in a Sagnac configured telecom-band entangled photon source that generates photon pairs entangled in both time/energy and polarization degrees of freedom. We made use of these highly desirable entangled states to investigate several promising quantum technologies. C1 [Ben Dixon, P.; Murphy, Ryan; Rosenberg, Danna; Grein, Matthew E.] MIT, Lincoln Lab, Lexington, MA 02173 USA. [Stelmakh, Veronika; Wong, Franco N. C.] MIT, Elect Res Lab, Cambridge, MA 02139 USA. [Bennink, Ryan S.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Ben Dixon, P (reprint author), MIT, Lincoln Lab, 244 Wood St, Lexington, MA 02173 USA. EM ben.dixon@ll.mit.edu NR 37 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-616-9 J9 PROC SPIE PY 2015 VL 9500 AR 950016 DI 10.1117/12.2178907 PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD1CK UT WOS:000357930800028 ER PT S AU Benioff, P AF Benioff, Paul BE Donkor, E Pirich, AR Hayduk, M TI Principal Fiber bundle description of number scaling for scalars and vectors: Application to gauge theory. SO QUANTUM INFORMATION AND COMPUTATION XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Quantum Information and Computation XIII CY APR 22-24, 2015 CL Baltimore, MD SP SPIE DE Fiber bundles; number scaling; structure valued fields; scalar and vector valued fields; gauge theory AB The purpose of this paper is to put the description of number scaling and its effects on physics and geometry on a firmer foundation, and to make it more understandable. A main point is that two different concepts, number and number value are combined in the usual representations of number structures. This is valid as long as just one structure of each number type is being considered. It is not valid when different structures of each number type are being considered. Elements of base sets of number structures, considered by themselves, have no meaning. They acquire meaning or value as elements of a number structure. Fiber bundles over a space or space time manifold, M, are described. The fiber consists of a collection of many real or complex number structures and vector space structures. The structures are parameterized by a real or complex scaling factor, s. A vector space at a fiber level, s, has, as scalars, real or complex number structures at the same level. Connections are described that relate scalar and vector space structures at both neighbor M locations and at neighbor scaling levels. Scalar and vector structure valued fields are described and covariant derivatives of these fields are obtained. Two complex vector fields, each with one real and one imaginary field, appear, with one complex field associated with positions in M and the other with position dependent scaling factors. A derivation of the covariant derivative for scalar and vector valued fields gives the same vector fields. The derivation shows that the complex vector field associated with scaling fiber levels is the gradient of a complex scalar field. Use of these results in gauge theory shows that the imaginary part of the vector field associated with M positions acts like the electromagnetic field. The physical relevance of the other three fields, if any, is not known. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Benioff, P (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM pbenioff@anl.gov NR 22 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-616-9 J9 PROC SPIE PY 2015 VL 9500 AR 95000X DI 10.1117/12.2176080 PG 18 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD1CK UT WOS:000357930800020 ER PT S AU Fanto, ML Tison, CC Howland, GA Preble, SF Alsing, PM Smith, AM AF Fanto, Michael L. Tison, Christopher C. Howland, Gregory A. Preble, Stefan F. Alsing, Paul M. Smith, A. Matthew BE Donkor, E Pirich, AR Hayduk, M TI A Bright PPKTP Waveguide Source of Polarization Entangled Photons SO QUANTUM INFORMATION AND COMPUTATION XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Quantum Information and Computation XIII CY APR 22-24, 2015 CL Baltimore, MD SP SPIE DE quantum; entangled photons; spontaneous parametric down-conversion; four wave mixing AB The need for bright efficient sources of entangled photons has been a subject of tremendous research over the last decade. Researchers have been working to increase the brightness and purity to help overcome the spontaneous nature of the sources. Periodic poling has been implemented to allow for the use of crystals that would not normally satisfy the phase matching conditions. Utilizing periodic poling and single mode waveguide confinement of the pump field has yielded extremely large effective nonlinearities in sources easily producing millions of photon pairs. Here we will demonstrate these large nonlinearity effects in a periodically poled potassium titanyl phosphate (PPKTP) waveguide as well as characterizing the source purity. C1 [Fanto, Michael L.; Howland, Gregory A.; Alsing, Paul M.] US Air Force, Res Lab, Rome, NY 13441 USA. [Tison, Christopher C.] Rome Res Corp, Rome, NY USA. [Preble, Stefan F.] Rochester Inst Technol, Rochester, NY 14623 USA. [Smith, A. Matthew] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Fanto, ML (reprint author), US Air Force, Res Lab, Rome, NY 13441 USA. NR 21 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-616-9 J9 PROC SPIE PY 2015 VL 9500 AR 950014 DI 10.1117/12.2177029 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD1CK UT WOS:000357930800026 ER PT S AU Smith, AM Evans, PG Lawrie, B Legre, M Lougovski, P Ray, W Williams, BP Qi, B Grice, WP AF Smith, A. M. Evans, P. G. lawrie, B. Legre, M. Lougovski, P. Ray, W. Williams, B. P. Qi, B. Grice, W. P. BE Donkor, E Pirich, AR Hayduk, M TI Secret Key Generation via a Modified Quantum Secret Sharing Protocol SO QUANTUM INFORMATION AND COMPUTATION XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Quantum Information and Computation XIII CY APR 22-24, 2015 CL Baltimore, MD SP SPIE AB We present and experimentally show a novel protocol for distributing secret information between two and only two parties in a N-party single-qubit Quantum Secret Sharing (QSS) system. We demonstrate this new algorithm with N = 3 active parties over 6km of telecom. fiber. Our experimental device is based on the Clavis2 Quantum Key Distribution (QKD) system built by ID Quantique but is generalizable to any implementation. We show that any two out of the N parties can build secret keys based on partial information from each other and with collaboration from the remaining N 2 parties. This algorithm allows for the creation of two-party secret keys were standard QSS does not and significantly reduces the number of resources needed to implement QKD on a highly connected network such as the electrical grid. C1 [Smith, A. M.; Evans, P. G.; lawrie, B.; Lougovski, P.; Ray, W.; Williams, B. P.; Qi, B.; Grice, W. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Legre, M.] ID Quant SA, Geneva, Switzerland. RP Smith, AM (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM smitham1@ornl.gov RI Lawrie, Benjamin/B-7182-2016; Qi, Bing/J-5028-2014; OI Lawrie, Benjamin/0000-0003-1431-066X; Qi, Bing/0000-0001-7723-8998; Grice, Warren/0000-0003-4266-4692 NR 10 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-616-9 J9 PROC SPIE PY 2015 VL 9500 AR 950008 DI 10.1117/12.2178904 PG 5 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD1CK UT WOS:000357930800006 ER PT S AU Smith, AM Evans, PG Williams, BP Grice, WP AF Smith, A. M. Evans, P. G. Williams, B. P. Grice, W. P. BE Donkor, E Pirich, AR Hayduk, M TI Provably secure time distribution for the electric grid SO QUANTUM INFORMATION AND COMPUTATION XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Quantum Information and Computation XIII CY APR 22-24, 2015 CL Baltimore, MD SP SPIE DE Quantum Time Distribution AB We demonstrate a quantum time distribution (QTD) method that combines the precision of optical timing techniques with the integrity of quantum key distribution (QKD). Critical infrastructure is dependent on microprocessor- and programmable logic-based monitoring and control systems. The distribution of timing information across the electric grid is accomplished by GPS signals which are known to be vulnerable to spoofing. We demonstrate a method for synchronizing remote clocks based on the arrival time of photons in a modified QKD system. This has the advantage that the signal can be verified by examining the quantum states of the photons similar to QKD. C1 [Smith, A. M.; Evans, P. G.; Williams, B. P.; Grice, W. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Smith, AM (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM smitham1@ornl.gov OI Grice, Warren/0000-0003-4266-4692 NR 4 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-616-9 J9 PROC SPIE PY 2015 VL 9500 AR 950007 DI 10.1117/12.2178917 PG 4 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD1CK UT WOS:000357930800005 ER PT S AU Moody, DI Smith, DA AF Moody, Daniela I. Smith, David A. BE Huang, B Chang, CI Lee, C Li, Y Du, Q TI Adaptive sparse signal processing for discrimination of satellite-based radiofrequency (RF) recordings of lightning events SO SATELLITE DATA COMPRESSION, COMMUNICATIONS, AND PROCESSING XI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Satellite Data Compression, Communications, and Processing XI CY APR 23-24, 2015 CL Baltimore, MD SP SPIE DE lightning classification; non-stationary RF signal processing; sparse classification; sparse representations; adaptive sampling; RF analytical dictionary ID PURSUITS AB For over two decades, Los Alamos National Laboratory programs have included an active research effort utilizing satellite observations of terrestrial lightning to learn more about the Earth's RF background. The FORTE satellite provided a rich satellite lightning database, which has been previously used for some event classification, and remains relevant for advancing lightning research. Lightning impulses are dispersed as they travel through the ionosphere, appearing as nonlinear chirps at the receiver on orbit. The data processing challenge arises from the combined complexity of the lightning source model, the propagation medium nonlinearities, and the sensor artifacts. We continue to develop modern event classification capability on the FORTE database using adaptive signal processing combined with compressive sensing techniques. The focus of our work is improved feature extraction using sparse representations in overcomplete analytical dictionaries. We explore two possible techniques for detecting lightning events, and showcase the algorithms on few representative data examples. We present preliminary results of our work and discuss future development. C1 [Moody, Daniela I.; Smith, David A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Moody, DI (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 19 TC 0 Z9 0 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-617-6 J9 PROC SPIE PY 2015 VL 9501 AR 95010C DI 10.1117/12.2177584 PG 13 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD1CM UT WOS:000357931500011 ER PT S AU Alvine, KJ Suter, JD Bernacki, BE Bennett, WD AF Alvine, Kyle J. Suter, Jonathan D. Bernacki, Bruce E. Bennett, Wendy D. BE Carapezza, EM TI Optically resonant subwavelength films for tamper-indicating tags and seals SO SENSORS, AND COMMAND, CONTROL, COMMUNICATIONS, AND INTELLIGENCE (C3I) TECHNOLOGIES FOR HOMELAND SECURITY, DEFENSE, AND LAW ENFORCEMENT XIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Sensors, and Command, Control, Communications, and Intelligence (C3I) Technologies for Homeland Security, Defense, and Law Enforcement XIV CY APR 20-22, 2015 CL Baltimore, MD SP SPIE DE nanostructure; resonant nanostructure; optical open ring resonator; tamper indicating film; nanostructured tamper indicating film AB We present the design, modeling and performance of a proof-of-concept tamper indicating approach that exploits newly-developed subwavelength-patterned films. These films have a nanostructure-dependent resonant optical reflection that is wavelength, angle, and polarization dependent. As such, they can be tailored to fabricate overlay transparent films for tamper indication and authentication of sensitive or controlled materials not possible with currently-known technologies. An additional advantage is that the unique optical signature is dictated by the geometry and fabrication process of the nanostructures in the film, rather than on the material used. The essential structure unit in the subwavelength resonant coating is a nanoscale Open-Ring Resonator (ORR). This building block is fabricated by coating a dielectric nanoscale template with metal to form a hemispherical shell-like structure. This curved metallic shell structure has a cross-section with an intrinsic capacitance and inductance and is thus the optical equivalent to the well-known "LC" circuit where the capacitance and inductance are determined by the nanoshell dimensions. For structures with sub 100 nm scale, this resonance occurs in the visible electromagnetic spectrum, and in the IR for larger shells. Tampering of the film would be visible though misalignment of the angle-sensitive features in the film. It is additionally possible to add in intrinsic oxidation and strain sensitive matrix materials to further complicate tamper repair and counterfeiting. Cursory standoff readout would be relatively simple using a combination of a near-infrared (or visible) LED flashlight and polarizer or passively using room lighting illumination and a dispersive detector. C1 [Alvine, Kyle J.; Suter, Jonathan D.; Bernacki, Bruce E.; Bennett, Wendy D.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Alvine, KJ (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM kyle.alvine@pnnl.gov OI Suter, Jonathan/0000-0001-5709-6988 NR 4 TC 1 Z9 1 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-572-8 J9 PROC SPIE PY 2015 VL 9456 AR 94560C DI 10.1117/12.2177160 PG 7 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BD0QH UT WOS:000357569500006 ER PT J AU Kim, HC Lee, H Jung, H Choi, YH Meron, M Lin, BH Bang, J Won, YY AF Kim, Hyun Chang Lee, Hoyoung Jung, Hyunjung Choi, Yun Hwa Meron, Mati Lin, Binhua Bang, Joona Won, You-Yeon TI Humidity-dependent compression-induced glass transition of the air-water interfacial Langmuir films of poly(D,L-lactic acid-ran-glycolic acid) (PLGA) SO SOFT MATTER LA English DT Article ID THIN POLYMER-FILMS; SURFACE PRESSURE; MECHANICAL-PROPERTIES; POLY(LACTIC ACID); BLOCK-COPOLYMERS; DRUG-DELIVERY; 2 DIMENSIONS; MONOLAYERS; DYNAMICS; CHAINS AB Constant rate compression isotherms of the air-water interfacial Langmuir films of poly(D,L-lactic acid-ran-glycolic acid) (PLGA) show a distinct feature of an exponential increase in surface pressure in the high surface polymer concentration regime. We have previously demonstrated that this abrupt increase in surface pressure is linked to the glass transition of the polymer film, but the detailed mechanism of this process is not fully understood. In order to obtain a molecular-level understanding of this behavior, we performed extensive characterizations of the surface mechanical, structural and rheological properties of Langmuir PLGA films at the air-water interface, using combined experimental techniques including the Langmuir film balance, X-ray reflectivity and double-wall-ring interfacial rheometry methods. We observed that the mechanical and structural responses of the Langmuir PLGA films are significantly dependent on the rate of film compression; the glass transition was induced in the PLGA film only at fast compression rates. Surprisingly, we found that this deformation rate dependence is also dependent on the humidity of the environment. With water acting as a plasticizer for the PLGA material, the diffusion of water molecules through the PLGA film seems to be the key factor in the determination of the glass transformation properties and thus the mechanical response of the PLGA film against lateral compression. Based on our combined results, we hypothesize the following mechanism for the compression-induced glass transformation of the Langmuir PLGA film; (1) initially, a humidified/non-glassy PLGA film is formed in the full surface-coverage region (where the surface pressure shows a plateau) during compression; (2) further compression leads to the collapse of the PLGA chains and the formation of new surfaces on the air side of the film, and this newly formed top layer of the PLGA film is transiently glassy in character because the water evaporation rate in the top surface region is momentarily faster than the humidification rate (due to the initial roughness of the newly formed surface); (3) after some time, the top layer itself becomes humidified through diffusion of water from the subphase, and thus it becomes non-glassy, leading to the relaxation of the applied compressive stress. C1 [Kim, Hyun Chang; Lee, Hoyoung; Choi, Yun Hwa; Won, You-Yeon] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. [Jung, Hyunjung; Bang, Joona] Korea Univ, Dept Chem & Biol Engn, Seoul 136713, South Korea. [Meron, Mati; Lin, Binhua] Univ Chicago, Adv Photon Source, Chicago, IL 60439 USA. RP Won, YY (reprint author), Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. EM yywon@ecn.purdue.edu RI Bang, Joona/F-6589-2013 FU U.S. National Science Foundation (NSF) [DMR-0906567, CBET-1264336]; NSF [NSF/CHE-1346572]; U.S. DOE [DE-AC02-06CH11357]; Human Resources Development Program of the Ministry of Trade, Industry and Energy of the Korean Government (KETEP) [20134010200600] FX We would like to thank the U.S. National Science Foundation (NSF) for providing financial support for this research (DMR-0906567, and CBET-1264336). ChemMatCARS Sector 15 at the Advanced Photon Source of Argonne National Laboratory (where the XR measurements reported in this paper were performed) is supported by the NSF under grant number NSF/CHE-1346572. The use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, is supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. HJ's participation in the XR measurements was possible through support from the Human Resources Development Program of the Ministry of Trade, Industry and Energy of the Korean Government (KETEP Grant No. 20134010200600). NR 45 TC 1 Z9 1 U1 1 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2015 VL 11 IS 28 BP 5666 EP 5677 DI 10.1039/c4sm02535k PG 12 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA CM6HJ UT WOS:000357788700010 PM 26082950 ER PT J AU Agrawal, A Yu, HY Srivastava, S Choudhury, S Narayanan, S Archer, LA AF Agrawal, Akanksha Yu, Hsiu-Yu Srivastava, Samanvaya Choudhury, Snehashis Narayanan, Suresh Archer, Lynden A. TI Dynamics and yielding of binary self-suspended nanoparticle fluids (vol 11, pg 5224, 2015) SO SOFT MATTER LA English DT Correction C1 [Agrawal, Akanksha; Srivastava, Samanvaya; Choudhury, Snehashis; Archer, Lynden A.] Cornell Univ, Sch Chem & Biomol Engn, Ithaca, NY 14853 USA. [Yu, Hsiu-Yu] Univ Penn, Dept Chem & Biomol Engn, Philadelphia, PA 19104 USA. [Narayanan, Suresh] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Archer, LA (reprint author), Cornell Univ, Sch Chem & Biomol Engn, Ithaca, NY 14853 USA. EM laa25@cornell.edu NR 1 TC 0 Z9 0 U1 2 U2 10 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 2015 VL 11 IS 28 BP 5780 EP 5780 DI 10.1039/c5sm90109j PG 1 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA CM6HJ UT WOS:000357788700023 PM 26115048 ER PT S AU Sistrunk, E Grilj, J Jeong, J Samant, MG Gray, AX Durr, HA Parkin, SSP Guhr, M AF Sistrunk, Emily Grilj, Jakob Jeong, Jaewoo Samant, Mahesh G. Gray, Alexander X. Duerr, Hermann A. Parkin, Stuart S. P. Guehr, Markus BE Yamanouchi, I Cundiff, S DeVivieRiedle, R KuwataGonokami, M DiMauro, L TI Extreme Ultraviolet Transient Grating Measurement of Insulator-Metal Transition Dynamics in VO2 SO ULTRAFAST PHENOMENA XIX SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 19th International Conference on Ultrafast Phenomena CY JUL 07-11, 2014 CL Okinawa, JAPAN SP Japan Intense Light Field Sci Soc, Ctr Ultrafast Intense Laser Sci, Univ Tokyo AB We demonstrate spectrally resolved transient grating (TG) spectroscopy in the extreme ultraviolet (EUV) near the M-edge of vanadium dioxide. Time-dependent and broadband EUV-TG measurements separate the index of refraction change due to the insulator to metal transition from purely acoustic effects. C1 [Sistrunk, Emily] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Sistrunk, Emily; Grilj, Jakob; Guehr, Markus] SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA. [Grilj, Jakob] Ecole Polytech Fed Lausanne, Lab Spect Ultrarapide, Lausanne, Switzerland. [Jeong, Jaewoo; Samant, Mahesh G.; Parkin, Stuart S. P.] IBM Almaden Res Ctr, San Jose, CA 95120 USA. [Gray, Alexander X.; Duerr, Hermann A.] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Gray, Alexander X.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. RP Sistrunk, E (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM link7@llnl.gov; mguehr@stanford.edu NR 7 TC 0 Z9 0 U1 1 U2 3 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0930-8989 BN 978-3-319-13242-6; 978-3-319-13241-9 J9 SPRINGER PROC PHYS PY 2015 VL 162 BP 64 EP 67 DI 10.1007/978-3-319-13242-6_16 PG 4 WC Physics, Applied SC Physics GA BD0UY UT WOS:000357738800016 ER PT S AU Shearer, AJ Caplins, BW Suich, DE Harris, CB AF Shearer, Alex J. Caplins, Benjamin W. Suich, David E. Harris, Charles B. BE Yamanouchi, I Cundiff, S DeVivieRiedle, R KuwataGonokami, M DiMauro, L TI Ultrafast Electron Solvation at the Room Temperature Ionic Liquid/Metal Interface SO ULTRAFAST PHENOMENA XIX SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 19th International Conference on Ultrafast Phenomena CY JUL 07-11, 2014 CL Okinawa, JAPAN SP Japan Intense Light Field Sci Soc, Ctr Ultrafast Intense Laser Sci, Univ Tokyo ID DYNAMICS AB Ultrafast electron solvation was studied in thin films of the room temperature ionic liquid [Bmpyr](+) [NTf2](-) on a Ag(111) substrate. Two-photon photoemission spectra reveal a solvation effect which increases from a 250 meV shift in under 400 fs for the monolayer to a 1 eV shift in over 100 ps for the trilayer. The state's binding energy relaxes along the same path for all coverages at a given temperature, suggesting that the solvation process is insensitive to film thickness. Time-dependent population analysis showed that the lifetime of solvation changes with coverage due to charge screening. In the monolayer coverage regime, the state has dispersive, delocalized character at early times and nondispersive, localized character after 200 fs. C1 [Shearer, Alex J.; Caplins, Benjamin W.; Suich, David E.; Harris, Charles B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Shearer, Alex J.; Caplins, Benjamin W.; Suich, David E.; Harris, Charles B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Harris, CB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM cbharris@berkeley.edu NR 5 TC 0 Z9 0 U1 2 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0930-8989 BN 978-3-319-13242-6; 978-3-319-13241-9 J9 SPRINGER PROC PHYS PY 2015 VL 162 BP 317 EP 320 DI 10.1007/978-3-319-13242-6_77 PG 4 WC Physics, Applied SC Physics GA BD0UY UT WOS:000357738800077 ER PT S AU Neppl, S Liu, YS Wu, CH Shavorskiy, A Zegkinoglou, I Troy, T Slaughter, DS Ahmed, M Tremsin, AS Guo, JH Glans, PA Salmeron, M Bluhm, H Gessner, O AF Neppl, S. Liu, Y. -S. Wu, C. -H. Shavorskiy, A. Zegkinoglou, I. Troy, T. Slaughter, D. S. Ahmed, M. Tremsin, A. S. Guo, J. -H. Glans, P. -A. Salmeron, M. Bluhm, H. Gessner, O. BE Yamanouchi, I Cundiff, S DeVivieRiedle, R KuwataGonokami, M DiMauro, L TI Toward Ultrafast In Situ X-ray Studies of Interfacial Photoelectrochemistry SO ULTRAFAST PHENOMENA XIX SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 19th International Conference on Ultrafast Phenomena CY JUL 07-11, 2014 CL Okinawa, JAPAN SP Japan Intense Light Field Sci Soc, Ctr Ultrafast Intense Laser Sci, Univ Tokyo ID CHARGE-TRANSFER AB Picosecond time-resolved in situ X-ray absorption and X-ray photoelectron spectroscopy techniques for atomic site-specific real-time studies of interfacial photoelectrochemistry are developed at the Advanced Light Source (ALS). First experiments monitor electronic dynamics in films of dye-sensitized nanocrystals and at hematite-electrolyte interfaces. C1 [Neppl, S.; Gessner, O.] Univ Calif Berkeley, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. [Neppl, S.; Shavorskiy, A.; Zegkinoglou, I.; Troy, T.; Slaughter, D. S.; Ahmed, M.; Bluhm, H.; Gessner, O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Liu, Y. -S.; Guo, J. -H.; Glans, P. -A.] Univ Calif Berkeley, Adv Light Source, Berkeley, CA 94720 USA. [Wu, C. -H.; Salmeron, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wu, C. -H.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Tremsin, A. S.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. RP Neppl, S (reprint author), Univ Calif Berkeley, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. EM SNeppl@lbl.gov RI Zegkinoglou, Ioannis/H-2343-2013 NR 4 TC 1 Z9 1 U1 2 U2 7 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0930-8989 BN 978-3-319-13242-6; 978-3-319-13241-9 J9 SPRINGER PROC PHYS PY 2015 VL 162 BP 325 EP 328 DI 10.1007/978-3-319-13242-6_79 PG 4 WC Physics, Applied SC Physics GA BD0UY UT WOS:000357738800079 ER PT S AU Hoogeboom-Pot, K Hernandez-Charpak, JN Anderson, E Gu, XK Yang, RG Kapteyn, H Murnane, M Nardi, D AF Hoogeboom-Pot, Kathleen Hernandez-Charpak, Jorge N. Anderson, Erik Gu, Xiaokun Yang, Ronggui Kapteyn, Henry Murnane, Margaret Nardi, Damiano BE Yamanouchi, I Cundiff, S DeVivieRiedle, R KuwataGonokami, M DiMauro, L TI A New Regime of Nanoscale Thermal Transport: Collective Diffusion Counteracts Dissipation Inefficiency SO ULTRAFAST PHENOMENA XIX SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 19th International Conference on Ultrafast Phenomena CY JUL 07-11, 2014 CL Okinawa, JAPAN SP Japan Intense Light Field Sci Soc, Ctr Ultrafast Intense Laser Sci, Univ Tokyo AB We uncover a new regime of nanoscale thermal transport that dominates when the separation between heat sources is small compared with the substrate's dominant phonon mean free paths. Surprisingly, the interplay between neighboring heat sources can facilitate efficient, diffusive-like heat dissipation. C1 [Hoogeboom-Pot, Kathleen; Hernandez-Charpak, Jorge N.; Kapteyn, Henry; Murnane, Margaret; Nardi, Damiano] Univ Colorado, JILA, Boulder, CO 80309 USA. [Hoogeboom-Pot, Kathleen; Hernandez-Charpak, Jorge N.; Kapteyn, Henry; Murnane, Margaret; Nardi, Damiano] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Anderson, Erik] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Gu, Xiaokun; Yang, Ronggui] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. RP Nardi, D (reprint author), Univ Colorado, JILA, Boulder, CO 80309 USA. EM damiano.nardi@jila.colorado.edu RI Gu, Xiaokun/H-4069-2011; Yang, Ronggui/H-1278-2011 OI Gu, Xiaokun/0000-0003-3803-3951; NR 5 TC 1 Z9 1 U1 0 U2 3 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0930-8989 BN 978-3-319-13242-6; 978-3-319-13241-9 J9 SPRINGER PROC PHYS PY 2015 VL 162 BP 341 EP 344 DI 10.1007/978-3-319-13242-6_83 PG 4 WC Physics, Applied SC Physics GA BD0UY UT WOS:000357738800083 ER PT S AU Ross, M Van Kuiken, BE Strader, ML Cordones-Hahn, A Cho, H Schoenlein, RW Kim, TK Khalil, M AF Ross, Matthew Van Kuiken, Benjamin E. Strader, Mathew L. Cordones-Hahn, Amy Cho, Hana Schoenlein, Robert W. Kim, Tae Kyu Khalil, Munira BE Yamanouchi, I Cundiff, S DeVivieRiedle, R KuwataGonokami, M DiMauro, L TI Excited State Structural Dynamics Probed with Time-Resolved Sulfur K-Edge X-Ray Absorption Spectroscopy SO ULTRAFAST PHENOMENA XIX SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 19th International Conference on Ultrafast Phenomena CY JUL 07-11, 2014 CL Okinawa, JAPAN SP Japan Intense Light Field Sci Soc, Ctr Ultrafast Intense Laser Sci, Univ Tokyo AB Time-Resolved X-ray absorption spectroscopy at the sulfur K-edge (similar to 2.4 keV) is used to monitor structural dynamics following excited state proton transfer in an organosulfur molecule. The timescales of electronic structural relaxation are solvent dependent. C1 [Ross, Matthew; Van Kuiken, Benjamin E.; Khalil, Munira] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Strader, Mathew L.] SLAC Natl Accelerator Lab, Menlo Pk, CA USA. [Cordones-Hahn, Amy; Cho, Hana; Schoenlein, Robert W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Kim, Tae Kyu] Pusan Natl Univ, Dept Chem, Busan, South Korea. RP Khalil, M (reprint author), Univ Washington, Dept Chem, Seattle, WA 98195 USA. EM mkhalil@chem.washington.edu NR 4 TC 1 Z9 1 U1 2 U2 5 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0930-8989 BN 978-3-319-13242-6; 978-3-319-13241-9 J9 SPRINGER PROC PHYS PY 2015 VL 162 BP 403 EP 406 DI 10.1007/978-3-319-13242-6_98 PG 4 WC Physics, Applied SC Physics GA BD0UY UT WOS:000357738800098 ER PT S AU Oliver, TAA Lewis, NHC Fleming, GR AF Oliver, Thomas A. A. Lewis, Nicholas H. C. Fleming, Graham R. BE Yamanouchi, I Cundiff, S DeVivieRiedle, R KuwataGonokami, M DiMauro, L TI Following the Excited State Dynamics of beta-Apo-8 '-Carotenal with Two-Dimensional Electronic-Vibrational Spectroscopy SO ULTRAFAST PHENOMENA XIX SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 19th International Conference on Ultrafast Phenomena CY JUL 07-11, 2014 CL Okinawa, JAPAN SP Japan Intense Light Field Sci Soc, Ctr Ultrafast Intense Laser Sci, Univ Tokyo ID PULSE-SHAPER AB Two-dimensional electronic-vibrational spectroscopy is used to study the excited state relaxation of beta-apo-8'-carotenal in acetonitrile solution. This new multidimensional spectroscopy technique is unique in its ability to directly follow the electronic and nuclear degrees of freedom simultaneously. C1 [Oliver, Thomas A. A.; Lewis, Nicholas H. C.; Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Oliver, Thomas A. A.; Lewis, Nicholas H. C.; Fleming, Graham R.] 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 NR 7 TC 0 Z9 0 U1 1 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0930-8989 BN 978-3-319-13242-6; 978-3-319-13241-9 J9 SPRINGER PROC PHYS PY 2015 VL 162 BP 444 EP 447 DI 10.1007/978-3-319-13242-6_108 PG 4 WC Physics, Applied SC Physics GA BD0UY UT WOS:000357738800108 ER PT S AU Monahan, DM Whaley-Mayda, LV Ishizaki, A Fleming, GR AF Monahan, Daniele M. Whaley-Mayda, Lukas V. Ishizaki, Akihito Fleming, Graham R. BE Yamanouchi, I Cundiff, S DeVivieRiedle, R KuwataGonokami, M DiMauro, L TI Interpreting Oscillations in Numerically Exact Simulations of 2D Electronic Spectra SO ULTRAFAST PHENOMENA XIX SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 19th International Conference on Ultrafast Phenomena CY JUL 07-11, 2014 CL Okinawa, JAPAN SP Japan Intense Light Field Sci Soc, Ctr Ultrafast Intense Laser Sci, Univ Tokyo ID COHERENCE AB 2D electronic spectroscopy signals are simulated with accurate hierarchy method treatment of an electronic heterodimer coupled to a bath and local vibrations. We examine the effect of vibrations on the correspondence between exciton and population dynamics. C1 [Monahan, Daniele M.; Whaley-Mayda, Lukas V.; Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Monahan, Daniele M.; Whaley-Mayda, Lukas V.; Fleming, Graham R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Ishizaki, Akihito] Natl Inst Nat Sci, Inst Mol Sci, Okazaki, Aichi 4448585, Japan. RP Fleming, GR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM grfleming@lbl.gov NR 6 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0930-8989 BN 978-3-319-13242-6; 978-3-319-13241-9 J9 SPRINGER PROC PHYS PY 2015 VL 162 BP 553 EP 556 DI 10.1007/978-3-319-13242-6_135 PG 4 WC Physics, Applied SC Physics GA BD0UY UT WOS:000357738800135 ER PT S AU Hickstein, DD Dollar, F Ellis, JL Gaffney, JA Foord, ME Petrov, GM Palm, BB Ding, CY Keister, KE Libby, SB Jimenez, JL Kapteyn, HC Murnane, MM Xiong, W AF Hickstein, Daniel D. Dollar, Franklin Ellis, Jennifer L. Gaffney, Jim A. Foord, Mark E. Petrov, George M. Palm, Brett B. Ding, Chengyuan Keister, K. Ellen Libby, Stephen B. Jimenez, Jose L. Kapteyn, Henry C. Murnane, Margaret M. Xiong, Wei BE Yamanouchi, I Cundiff, S DeVivieRiedle, R KuwataGonokami, M DiMauro, L TI Single Nanoparticles and Nanoplasmas in Femtosecond Laser Fields SO ULTRAFAST PHENOMENA XIX SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 19th International Conference on Ultrafast Phenomena CY JUL 07-11, 2014 CL Okinawa, JAPAN SP Japan Intense Light Field Sci Soc, Ctr Ultrafast Intense Laser Sci, Univ Tokyo ID PHOTOELECTRON AB We combine an aerodynamic lens with a velocity-map-imaging spectrometer to make the first measurements of ultrafast dynamics in individual nanoplasmas. By using two laser pulses (800 and 400 nm) delayed by several picoseconds, we find that we can generate and control shock wave propagation in nanoplasmas, confirming a decade of theoretical predictions. Additionally, we observe pronounced asymmetries in the photoion angular distributions resulting from nanoparticles of different structure and composition, demonstrating the ability to observe nanoscale light absorption at laser intensities near the damage threshold. C1 [Hickstein, Daniel D.; Dollar, Franklin; Ellis, Jennifer L.; Ding, Chengyuan; Keister, K. Ellen; Kapteyn, Henry C.; Murnane, Margaret M.; Xiong, Wei] Univ Colorado, JILA, Boulder, CO 80309 USA. [Hickstein, Daniel D.; Dollar, Franklin; Ellis, Jennifer L.; Ding, Chengyuan; Keister, K. Ellen; Kapteyn, Henry C.; Murnane, Margaret M.; Xiong, Wei] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Gaffney, Jim A.; Foord, Mark E.; Libby, Stephen B.] Lawrence Livermore Natl Lab, Div Phys, Phys & Life Sci, Livermore, CA 94550 USA. [Petrov, George M.] Naval Res Lab, Div Plasma Phys, Washington, DC 20375 USA. [Palm, Brett B.; Jimenez, Jose L.] Univ Colorado, Dept Chem, Boulder, CO 80309 USA. [Palm, Brett B.; Jimenez, Jose L.] CIRES, Boulder, CO 80309 USA. RP Hickstein, DD (reprint author), Univ Colorado, JILA, Boulder, CO 80309 USA. EM daniel.hickstein@colorado.edu RI Jimenez, Jose/A-5294-2008; OI Jimenez, Jose/0000-0001-6203-1847; Gaffney, Jim/0000-0002-2408-0047 NR 6 TC 0 Z9 0 U1 0 U2 6 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0930-8989 BN 978-3-319-13242-6; 978-3-319-13241-9 J9 SPRINGER PROC PHYS PY 2015 VL 162 BP 702 EP 706 DI 10.1007/978-3-319-13242-6_173 PG 5 WC Physics, Applied SC Physics GA BD0UY UT WOS:000357738800173 ER PT J AU Turner, AJ Jacob, DJ Wecht, KJ Maasakkers, JD Lundgren, E Andrews, AE Biraud, SC Boesch, H Bowman, KW Deutscher, NM Dubey, MK Griffith, DWT Hase, F Kuze, A Notholt, J Ohyama, H Parker, R Payne, VH Sussmann, R Sweeney, C Velazco, VA Warneke, T Wennberg, PO Wunch, D AF Turner, A. J. Jacob, D. J. Wecht, K. J. Maasakkers, J. D. Lundgren, E. Andrews, A. E. Biraud, S. C. Boesch, H. Bowman, K. W. Deutscher, N. M. Dubey, M. K. Griffith, D. W. T. Hase, F. Kuze, A. Notholt, J. Ohyama, H. Parker, R. Payne, V. H. Sussmann, R. Sweeney, C. Velazco, V. A. Warneke, T. Wennberg, P. O. Wunch, D. TI Estimating global and North American methane emissions with high spatial resolution using GOSAT satellite data SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID COLUMN OBSERVING NETWORK; IN-SITU MEASUREMENTS; UNITED-STATES; SURFACE MEASUREMENTS; NITROGEN DEPOSITION; ATMOSPHERIC METHANE; AIRCRAFT CAMPAIGN; GREENHOUSE GASES; MOLE FRACTION; AVERAGED CH4 AB We use 2009-2011 space-borne methane observations from the Greenhouse Gases Observing SATellite (GOSAT) to estimate global and North American methane emissions with 4A degrees x 5A degrees and up to 50 km x 50 km spatial resolution, respectively. GEOS-Chem and GOSAT data are first evaluated with atmospheric methane observations from surface and tower networks (NOAA/ESRL, TCCON) and aircraft (NOAA/ESRL, HIPPO), using the GEOS-Chem chemical transport model as a platform to facilitate comparison of GOSAT with in situ data. This identifies a high-latitude bias between the GOSAT data and GEOS-Chem that we correct via quadratic regression. Our global adjoint-based inversion yields a total methane source of 539 Tg a(-1) with some important regional corrections to the EDGARv4.2 inventory used as a prior. Results serve as dynamic boundary conditions for an analytical inversion of North American methane emissions using radial basis functions to achieve high resolution of large sources and provide error characterization. We infer a US anthropogenic methane source of 40.2-42.7 Tg a(-1), as compared to 24.9-27.0 Tg a(-1) in the EDGAR and EPA bottom-up inventories, and 30.0-44.5 Tg a(-1) in recent inverse studies. Our estimate is supported by independent surface and aircraft data and by previous inverse studies for California. We find that the emissions are highest in the southern-central US, the Central Valley of California, and Florida wetlands; large isolated point sources such as the US Four Corners also contribute. Using prior information on source locations, we attribute 29-44 % of US anthropogenic methane emissions to livestock, 22-31 % to oil/gas, 20 % to landfills/wastewater, and 11-15 % to coal. Wetlands contribute an additional 9.0-10.1 Tg a(-1). C1 [Turner, A. J.; Jacob, D. J.; Maasakkers, J. D.; Lundgren, E.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Jacob, D. J.; Wecht, K. J.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. [Andrews, A. E.; Sweeney, C.] NOAA, Earth Syst Res Lab, Boulder, CO USA. [Biraud, S. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Boesch, H.; Parker, R.] Univ Leicester, Dept Phys & Astron, Earth Observat Sci Grp, Leicester LE1 7RH, Leics, England. [Boesch, H.; Parker, R.] Univ Leicester, Natl Ctr Earth Observat, Leicester, Leics, England. [Bowman, K. W.; Payne, V. H.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Deutscher, N. M.; Griffith, D. W. T.; Velazco, V. A.] Univ Wollongong, Ctr Atmospher Chem, Wollongong, NSW 2522, Australia. [Deutscher, N. M.; Notholt, J.; Warneke, T.] Univ Bremen, Inst Environm Phys, D-28359 Bremen, Germany. [Dubey, M. K.] Los Alamos Natl Lab, Los Alamos, NM USA. [Hase, F.] Karlsruhe Inst Technol, IMK ASF, D-76021 Karlsruhe, Germany. [Kuze, A.; Ohyama, H.] Japan Aerosp Explorat Agcy, Tsukuba, Ibaraki, Japan. [Ohyama, H.] Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi 4648601, Japan. [Sussmann, R.] Karlsruhe Inst Technol, IMK IFU, Garmisch Partenkirchen, Germany. [Sweeney, C.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Wennberg, P. O.; Wunch, D.] CALTECH, Pasadena, CA 91125 USA. RP Turner, AJ (reprint author), Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. EM aturner@fas.harvard.edu RI Sussmann, Ralf/K-3999-2012; Dubey, Manvendra/E-3949-2010; Notholt, Justus/P-4520-2016; Velazco, Voltaire/H-2280-2011; Boesch, Hartmut/G-6021-2012; Biraud, Sebastien/M-5267-2013; Chem, GEOS/C-5595-2014; KUZE, AKIHIKO/J-2074-2016 OI Dubey, Manvendra/0000-0002-3492-790X; Notholt, Justus/0000-0002-3324-885X; Velazco, Voltaire/0000-0002-1376-438X; Biraud, Sebastien/0000-0001-7697-933X; KUZE, AKIHIKO/0000-0001-5415-3377 FU NASA Carbon Monitoring System; Department of Energy (DOE) Computational Science Graduate Fellowship (CSGF); California Energy Commission's Natural Gas Program [DE-AC02-05CH11231]; NASA; UK National Centre for Earth Observation (NCEO); ESA Climate Change Initiative (ESA GHG-CCI); NASA [NNX11AG01G, NAG5-12247, NNG05-GD07G]; NASA Orbiting Carbon Observatory Program; EU project InGOS; EU project ICOS-INWIRE; Senate of Bremen; Australian Research Council [DP0879468, LP0562346]; EC within the INGOS project; New Zealand Foundation of Research Science and Technology [CO1X0204, CO1X0703, CO1X0406]; NIWA's Atmosphere Research Programme 3 [2011/13]; LANL-LDRD [20110081DR]; Environment Research and Technology Development Fund of the Ministry of the Environment, Japan [A-1102]; Office of Biological and Environmental Research of the US Department of Energy as part of the Atmospheric Radiation Measurement Program (ARM), ARM Aerial Facility [DE-AC02-05CH11231]; Terrestrial Ecosystem Science Program FX This work was supported by the NASA Carbon Monitoring System and a Department of Energy (DOE) Computational Science Graduate Fellowship (CSGF) to A. J. Turner. We also thank the Harvard SEAS Academic Computing center for access to computing resources. Special thanks to S. C. Wofsy for providing HIPPO aircraft data, and J. B. Miller and M. Parker for providing NOAA/ESRL Global Greenhouse Gas Reference Network data. We thank M. L. Fischer and the CALGEM team at LBNL for their contributions to data collection at tower sites in central California as supported by the California Energy Commission's Natural Gas Program through a grant to the US Department of Energy under contract no. DE-AC02-05CH11231. Part of this work was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with NASA. R. Parker and H. Boesch acknowledge funding from the UK National Centre for Earth Observation (NCEO) and the ESA Climate Change Initiative (ESA GHG-CCI). TCCON data at Park Falls, Lamont, and JPL is funded by NASA grants NNX11AG01G, NAG5-12247 and NNG05-GD07G, and the NASA Orbiting Carbon Observatory Program. We are grateful to the DOE ARM program for technical support in Lamont and J. Ayers for technical support in Park Falls. TCCON data from Bialystok and Bremen is funded by the EU projects InGOS and ICOS-INWIRE, and by the Senate of Bremen. TCCON data from Darwin is funded by NASA grants NAG5-12247 and NNG05-GD07G and the Australian Research Council, DP0879468 and LP0562346. We are grateful to the DOE ARM program for technical support in Darwin. Garmisch TCCON work has been performed as part of the ESA GHG-cci project via subcontract with the University of Bremen. In addition, we acknowledge funding by the EC within the INGOS project. From 2004 to 2011 the Lauder TCCON program was funded by the New Zealand Foundation of Research Science and Technology contracts CO1X0204, CO1X0703 and CO1X0406. Since 2011, the program has been funded by NIWA's Atmosphere Research Programme 3 (2011/13 Statement of Corporate Intent). M. K. Dubey thanks LANL-LDRD for funding 20110081DR for monitoring at Four Corners. We thank B. Henderson (LANL) for help with retrievals at Four Corners. A part of work at JAXA was supported by the Environment Research and Technology Development Fund (A-1102) of the Ministry of the Environment, Japan. Observations collected in the Southern Great plains were supported by the Office of Biological and Environmental Research of the US Department of Energy under contract no. DE-AC02-05CH11231 as part of the Atmospheric Radiation Measurement Program (ARM), ARM Aerial Facility, and Terrestrial Ecosystem Science Program. HIPPO aircraft data are available at http://hippo.ornl.gov, TCCON data are available at http://tccon.ornl.gov, and NOAA/ESRL Global Greenhouse Gas Reference Network data are available at http://www.esrl.noaa.gov/gmd/ccgg/flask.php. NR 76 TC 33 Z9 33 U1 12 U2 59 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 12 BP 7049 EP 7069 DI 10.5194/acp-15-7049-2015 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CL6ZC UT WOS:000357117500034 ER PT J AU Wagner, NL Brock, CA Angevine, WM Beyersdorf, A Campuzano-Jost, P Day, D de Gouw, JA Diskin, GS Gordon, TD Graus, MG Holloway, JS Huey, G Jimenez, JL Lack, DA Liao, J Liu, X Markovic, MZ Middlebrook, AM Mikoviny, T Peischl, J Perring, AE Richardson, MS Ryerson, TB Schwarz, JP Warneke, C Welti, A Wisthaler, A Ziemba, LD Murphy, DM AF Wagner, N. L. Brock, C. A. Angevine, W. M. Beyersdorf, A. Campuzano-Jost, P. Day, D. de Gouw, J. A. Diskin, G. S. Gordon, T. D. Graus, M. G. Holloway, J. S. Huey, G. Jimenez, J. L. Lack, D. A. Liao, J. Liu, X. Markovic, M. Z. Middlebrook, A. M. Mikoviny, T. Peischl, J. Perring, A. E. Richardson, M. S. Ryerson, T. B. Schwarz, J. P. Warneke, C. Welti, A. Wisthaler, A. Ziemba, L. D. Murphy, D. M. TI In situ vertical profiles of aerosol extinction, mass, and composition over the southeast United States during SENEX and SEAC(4)RS: observations of a modest aerosol enhancement aloft SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID SECONDARY ORGANIC AEROSOL; PARTICULATE MATTER MASS; OPTICAL DEPTH; SATELLITE-OBSERVATIONS; CARBON-MONOXIDE; CUMULUS CLOUDS; US; ABSORPTION; PARTICLES; AIRCRAFT AB Vertical profiles of submicron aerosol from in situ aircraft-based measurements were used to construct aggregate profiles of chemical, microphysical, and optical properties. These vertical profiles were collected over the southeastern United States (SEUS) during the summer of 2013 as part of two separate field studies: the Southeast Nexus (SENEX) study and the Study of Emissions and Atmospheric Composition, Clouds, and Climate Coupling by Regional Surveys (SEAC(4)RS). Shallow cumulus convection was observed during many profiles. These conditions enhance vertical transport of trace gases and aerosol and create a cloudy transition layer on top of the sub-cloud mixed layer. The trace gas and aerosol concentrations in the transition layer were modeled as a mixture with contributions from the mixed layer below and the free troposphere above. The amount of vertical mixing, or entrainment of air from the free troposphere, was quantified using the observed mixing ratio of carbon monoxide (CO). Although the median aerosol mass, extinction, and volume decreased with altitude in the transition layer, they were 10 % larger than expected from vertical mixing alone. This enhancement was likely due to secondary aerosol formation in the transition layer. Although the transition layer enhancements of the particulate sulfate and organic aerosol (OA) were both similar in magnitude, only the enhancement of sulfate was statistically significant. The column integrated extinction, or aerosol optical depth (AOD), was calculated for each individual profile, and the transition layer enhancement of extinction typically contributed less than 10 % to the total AOD. Our measurements and analysis were motivated by two recent studies that have hypothesized an enhanced layer of secondary aerosol aloft to explain the summertime enhancement of AOD (2-3 times greater than winter) over the southeastern United States. The first study attributes the layer aloft to secondary organic aerosol (SOA) while the second study speculates that the layer aloft could be SOA or secondary particulate sulfate. In contrast to these hypotheses, the modest enhancement we observed in the transition layer was not dominated by OA and was not a large fraction of the summertime AOD. C1 [Wagner, N. L.; Brock, C. A.; Angevine, W. M.; de Gouw, J. A.; Gordon, T. D.; Graus, M. G.; Holloway, J. S.; Lack, D. A.; Liao, J.; Markovic, M. Z.; Middlebrook, A. M.; Peischl, J.; Perring, A. E.; Richardson, M. S.; Ryerson, T. B.; Schwarz, J. P.; Warneke, C.; Welti, A.; Murphy, D. M.] NOAA, Earth Syst Res Lab, Boulder, CO 80305 USA. [Wagner, N. L.; Angevine, W. M.; Campuzano-Jost, P.; Day, D.; de Gouw, J. A.; Gordon, T. D.; Graus, M. G.; Holloway, J. S.; Jimenez, J. L.; Lack, D. A.; Liao, J.; Markovic, M. Z.; Peischl, J.; Perring, A. E.; Richardson, M. S.; Schwarz, J. P.; Warneke, C.; Welti, A.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Beyersdorf, A.; Diskin, G. S.; Ziemba, L. D.] NASA, Langley Res Ctr, Hampton, VA 23681 USA. [Campuzano-Jost, P.; Day, D.; Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Huey, G.; Liu, X.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Mikoviny, T.] Oak Ridge Associated Univ, Oak Ridge, TN USA. [Welti, A.] Swiss Fed Inst Technol, Inst Atmospher & Climate Sci, Zurich, Switzerland. [Wisthaler, A.] Univ Innsbruck, Inst Ion Phys & Appl Phys, A-6020 Innsbruck, Austria. RP Wagner, NL (reprint author), NOAA, Earth Syst Res Lab, 325 Broadway, Boulder, CO 80305 USA. EM nick.wagner@noaa.gov RI schwarz, joshua/G-4556-2013; Murphy, Daniel/J-4357-2012; Manager, CSD Publications/B-2789-2015; Perring, Anne/G-4597-2013; Wagner, Nicholas/E-7437-2010; Lack, Daniel/I-9053-2012; Ryerson, Tom/C-9611-2009; Peischl, Jeff/E-7454-2010; Angevine, Wayne/H-9849-2013; Graus, Martin/E-7546-2010; de Gouw, Joost/A-9675-2008; Jimenez, Jose/A-5294-2008; Gordon, Timothy/H-9497-2013; Warneke, Carsten/E-7174-2010; Middlebrook, Ann/E-4831-2011 OI schwarz, joshua/0000-0002-9123-2223; Murphy, Daniel/0000-0002-8091-7235; Perring, Anne/0000-0003-2231-7503; Peischl, Jeff/0000-0002-9320-7101; Angevine, Wayne/0000-0002-8021-7116; Graus, Martin/0000-0002-2025-9242; de Gouw, Joost/0000-0002-0385-1826; Jimenez, Jose/0000-0001-6203-1847; Gordon, Timothy/0000-0002-5128-9532; Middlebrook, Ann/0000-0002-2984-6304 FU BMVIT/FFG-ALR of the Austrian Space Application Program (ASAP 8) [833451]; NASA [NNX12AC03G]; NSF [AGS-1243354]; NOAA's Health of the Atmosphere Program and Atmospheric Chemistry, Carbon Cycles, and Climate Program; NASA's Radiation Sciences Program [NNH12AT31I] FX We thank the NOAA WP-3D and NASA DC-8 scientists, flight crews, and support staff for their outstanding efforts in the field. In particular we would like to thank M. K. Trainer for flight planning during SENEX. Isoprene measurements during SEAC4RS were supported by BMVIT/FFG-ALR in the frame of the Austrian Space Application Program (ASAP 8, project 833451). PCJ, DAD, and JLJ measured aerosol mass and composition during SEAC4RS and were supported by NASA NNX12AC03G and NSF AGS-1243354. Additionally, the SEARCH aerosol network provided surface measurement used in overflight comparisons, and we thank Brent Holben and Brad Gingrey and their staff for establishing and maintaining the Centreville AERONET sites used in this investigation. This analysis is funded by the NOAA's Health of the Atmosphere Program and Atmospheric Chemistry, Carbon Cycles, and Climate Program and by NASA's Radiation Sciences Program under Award NNH12AT31I. NR 65 TC 12 Z9 12 U1 5 U2 32 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 12 BP 7085 EP 7102 DI 10.5194/acp-15-7085-2015 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CL6ZC UT WOS:000357117500036 ER PT J AU Smith, KE Gerakines, PA Callahan, MP AF Smith, Karen E. Gerakines, Perry A. Callahan, Michael P. TI Metabolic precursors in astrophysical ice analogs: implications for meteorites and comets SO CHEMICAL COMMUNICATIONS LA English DT Article ID AMINO-ACIDS; MURCHISON METEORITE; DIPHOSPHOPYRIDINE NUCLEOTIDE; DEUTERIUM ENRICHMENT; IRRADIATION; BENZENE; BIOSYNTHESIS; HETEROCYCLES; MATTER AB We report the synthesis of complex organic compounds including nicotinic and quinolinic acid, two members involved in the nicotinamide adenine dinucleotide (NAD) biosynthetic pathway, in irradiated astrophysical ice analogs. If delivered to Earth by meteorites and comets, these compounds may have contributed to the origin and early evolution of life. C1 [Smith, Karen E.] NASA, Goddard Space Flight Ctr, Postdoctoral Program Administered, Oak Ridge Associated Univ, Greenbelt, MD 20771 USA. [Gerakines, Perry A.; Callahan, Michael P.] NASA, Goddard Space Flight Ctr, Astrochem Lab, Greenbelt, MD 20771 USA. [Gerakines, Perry A.; Callahan, Michael P.] NASA, Goddard Space Flight Ctr, Goddard Ctr Astrobiol, Greenbelt, MD 20771 USA. RP Smith, KE (reprint author), NASA, Goddard Space Flight Ctr, Postdoctoral Program Administered, Oak Ridge Associated Univ, Greenbelt, MD 20771 USA. EM karen.e.smith@nasa.gov RI Gerakines, Perry/D-2226-2012 OI Gerakines, Perry/0000-0002-9667-5904 FU NASA Postdoctoral Program Fellowship; NASA; NASA Astrobiology Institute via Goddard Center for Astrobiology; NASA Cosmochemistry Program FX The authors thank T. Ward, E. Gerashchenko, and S. Brown for operation of the proton accelerator, M. Loeffler for assistance with some experimental measurements and helpful discussions, R. Hudson for helpful discussions, and three anonymous reviewers. This work was supported by a NASA Postdoctoral Program Fellowship administered by Oak Ridge Associated Universities through a contract with NASA, the NASA Astrobiology Institute via the Goddard Center for Astrobiology, and the NASA Cosmochemistry Program. NR 26 TC 2 Z9 2 U1 2 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 59 BP 11787 EP 11790 DI 10.1039/c5cc03272e PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CM6NF UT WOS:000357804800010 PM 26107786 ER PT J AU Wang, B Sun, R Gunbas, DD Zhang, H Grozema, FC Xiao, K Jin, S AF Wang, B. Sun, R. Gunbas, D. D. Zhang, H. Grozema, F. C. Xiao, K. Jin, S. TI A bundled-stack discotic columnar liquid crystalline phase with inter-stack electronic coupling SO CHEMICAL COMMUNICATIONS LA English DT Article ID BEARING OLIGOSILOXANE CHAINS; SELF-ORGANIZATION; PERYLENE DIIMIDES; PI-STACKS; DERIVATIVES; MOBILITY; ASSEMBLIES; CHARGE AB The first compound capable of forming a bundled-stack discotic columnar liquid crystalline (BSDCLC) phase was designed and synthesized. The unique perylene anhydride inter-stack interaction was found to be the key to the formation of the BSDCLC structure and inter-stack electronic coupling (ISEC). C1 [Wang, B.; Sun, R.; Zhang, H.; Jin, S.] CUNY Coll Staten Isl, Dept Chem, Ctr Engineered Polymer Mat, Staten Isl, NY 10314 USA. [Wang, B.; Sun, R.; Zhang, H.; Jin, S.] CUNY, Grad Ctr, Staten Isl, NY 10314 USA. [Gunbas, D. D.; Grozema, F. C.] Delft Univ Technol, DelftChemTech, NL-2628 BL Delft, Netherlands. [Xiao, K.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci Div, Oak Ridge, TN 37831 USA. RP Jin, S (reprint author), CUNY Coll Staten Isl, Dept Chem, Ctr Engineered Polymer Mat, Staten Isl, NY 10314 USA. EM shi.jin@csi.cuny.edu RI Grozema, Ferdinand/A-3747-2013 OI Grozema, Ferdinand/0000-0002-4375-799X FU acquisition of SAXS/WAXS system [CHE-0723028]; PSC-CUNY grant; Joint Solar Programme (JSP) of Foundation for Scientific Research on Matter (FOM), Netherlands Organization for Scientific Research (NWO); European Research Council under European Union's Seventh Framework Programme (FP7)/ERC [240299] FX NSF is gratefully acknowledged for funding the acquisition of the SAXS/WAXS system through Award CHE-0723028. This research was supported by PSC-CUNY grant and the Joint Solar Programme (JSP) of the Foundation for Scientific Research on Matter (FOM), which is part of the Netherlands Organization for Scientific Research (NWO). The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC Grant agreement no. 240299. Part of the research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. NR 32 TC 1 Z9 1 U1 1 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 59 BP 11837 EP 11840 DI 10.1039/c5cc03789a PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CM6NF UT WOS:000357804800023 PM 26108235 ER PT J AU Chang, CJ Gunnlaugsson, T James, TD AF Chang, Christopher J. Gunnlaugsson, Thorfinnur James, Tony D. TI Imaging agents SO CHEMICAL SOCIETY REVIEWS LA English DT Editorial Material C1 [Chang, Christopher J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Helen Wills Neurosci Inst, Howard Hughes Med Inst,Dept Chem, Berkeley, CA 94720 USA. [Chang, Christopher J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Helen Wills Neurosci Inst, Howard Hughes Med Inst,Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Gunnlaugsson, Thorfinnur] Univ Dublin, Trinity Biomed Sci Inst, Trinity Coll Dublin, Sch Chem, Dublin 2, Ireland. [James, Tony D.] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. RP Chang, CJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Helen Wills Neurosci Inst, Howard Hughes Med Inst,Dept Chem, Berkeley, CA 94720 USA. EM chrischang@berkeley.edu; gunnlaut@tcd.ie; t.d.james@bath.ac.uk RI James, Tony/B-5125-2009; OI James, Tony/0000-0002-4095-2191; Gunnlaugsson, Thorfinnur/0000-0003-4814-6853 FU Howard Hughes Medical Institute NR 10 TC 13 Z9 13 U1 3 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 EI 1460-4744 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2015 VL 44 IS 14 BP 4484 EP 4486 DI 10.1039/c5cs90065d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA CM4YA UT WOS:000357691200001 PM 26107987 ER PT J AU Das, AK Engelhard, MH Lense, S Roberts, JAS Bullock, RM AF Das, Atanu K. Engelhard, Mark H. Lense, Sheri Roberts, John A. S. Bullock, R. Morris TI Covalent attachment of diphosphine ligands to glassy carbon electrodes via Cu-catalyzed alkyne-azide cycloaddition. Metallation with Ni(II) SO DALTON TRANSACTIONS LA English DT Article ID H-2 PRODUCTION; HYDROGEN-PRODUCTION; CONDUCTIVE DIAMOND; WATER ELECTROLYSIS; CLICK CHEMISTRY; ELECTROCATALYSTS; SURFACES; ACETONITRILE; COMPLEXES; OXIDATION AB Covalent tethering of (P2N2C6H4C=CH)-N-Ph ligands ((P2NC26H4C=CH)-N-Ph = 1,5-di-(4-ethynylphenyl)-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) to planar, azide-terminated glassy carbon electrode surfaces has been accomplished using a CuI-catalyzed alkyne-azide cycloaddition (CuAAC) coupling reaction, using a BH3 <- P protection-deprotection strategy. Deprotected, surface-confined ligands were metallated using [Ni-II(MeCN)(6)](BF4)(2). X-ray photoelectron spectroscopic measurements demonstrate that metallation introduced 1.3 equivalents Ni-II per diphosphine onto the electrode surface. Exposure of the surface to a second diphosphine ligand, (P2N2Ph)-N-Ph, resulted in the removal of Ni from the surface. Protection, coupling, deprotection, and metallation conditions were optimized using solution-phase model systems, with benzyl azide as a model for the azide-terminated carbon surface; these reactions generate a [Ni-II(diphosphine)(2)](2+) complex. C1 [Das, Atanu K.; Lense, Sheri; Roberts, John A. S.; Bullock, R. Morris] Pacific NW Natl Lab, Ctr Mol Electroanal, Div Phys Sci, Richland, WA 99352 USA. [Engelhard, Mark H.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Roberts, JAS (reprint author), Pacific NW Natl Lab, Ctr Mol Electroanal, Div Phys Sci, POB 999,K2-57, Richland, WA 99352 USA. EM john.roberts@recsilicon.com; morris.bullock@pnnl.gov RI Bullock, R. Morris/L-6802-2016; OI Bullock, R. Morris/0000-0001-6306-4851; Engelhard, Mark/0000-0002-5543-0812 FU Center for Molecular Electrocatalysis, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research; Early Career Research Program through the U.S. Department of Energy, Office of Science FX This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. The XPS measurements were performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The X-ray crystal structure analysis was carried out by S.L., who was supported by a grant to Wendy J. Shaw from the Early Career Research Program through the U.S. Department of Energy, Office of Science. We thank Christopher Zall for helpful discussions. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy. NR 58 TC 3 Z9 3 U1 2 U2 8 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 2015 VL 44 IS 27 BP 12225 EP 12233 DI 10.1039/c5dt00162e PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CM0VY UT WOS:000357398200022 PM 25811536 ER PT J AU Davenport, TC Tilley, TD AF Davenport, T. C. Tilley, T. D. TI Dinuclear first-row transition metal complexes with a naphthyridine-based dinucleating ligand SO DALTON TRANSACTIONS LA English DT Article ID CRYSTAL-STRUCTURE; WATER-OXIDATION; ACTIVE-SITES; CATALYSIS; CENTERS; 1,8-NAPHTHYRIDINE; HEMERYTHRIN; DIOXYGEN; DESIGN; DIMER AB A series of dinuclear and tetranuclear first-row transition metal complexes were synthesized with the dinucleating ligand 2,7-bis(di(2-pyridyl) fluoromethyl)-1,8-naphthyridine (DPFN). The coordination pocket and rigidity of the DPFN ligand enforces pseudo-octahedral geometries about the metal centers that contain chloro, hydroxo, and aqua bridging ligands forming a "diamond" shaped configuration with metal-metal distances varying from 2.7826(5) to 3.2410(11) angstrom. Each metal center in the dinuclear complexes has an additional open coordination site that accommodates terminal ligands in a syn geometry of particular interest in catalyst design. The complexes are characterized by electronic spectroscopy, electrochemistry and potentiometric titration methods. C1 [Davenport, T. C.; Tilley, T. D.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Davenport, T. C.; Tilley, T. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Tilley, TD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM tdtilley@berkeley.edu FU National Science Foundation; University of California Chancellor's Fellowship; Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Support for T.C.D. was provided by a National Science Foundation Graduate Research Fellowship and a University of California Chancellor's Fellowship. This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division, of the U.S. Department of Energy under contract DE-AC02-05CH11231. NR 43 TC 5 Z9 5 U1 4 U2 20 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 2015 VL 44 IS 27 BP 12244 EP 12255 DI 10.1039/c4dt02727b PG 12 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CM0VY UT WOS:000357398200024 PM 25420206 ER PT S AU Benmore, CJ AF Benmore, C. J. BE Templeton, AC Byrn, SR Haskell, RJ Prisinzano, TE TI Advanced X-Ray Analytical Methods to Understand Structure, Properties, and Risk SO DISCOVERING AND DEVELOPING MOLECULES WITH OPTIMAL DRUG-LIKE PROPERTIES SE AAPS Advances in the Pharmaceutical Sciences Series LA English DT Article; Book Chapter ID AMORPHOUS PHARMACEUTICAL SOLIDS; ITRACONAZOLE; DIFFRACTION; ABSORPTION C1 Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Lemont, IL 60439 USA. RP Benmore, CJ (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, 9700S Cass Ave, Lemont, IL 60439 USA. EM benmore@anl.gov OI Benmore, Chris/0000-0001-7007-7749 NR 33 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2210-7371 BN 978-1-4939-1399-2; 978-1-4939-1398-5 J9 AAPS ADV PHARM SCI PY 2015 VL 15 BP 263 EP 283 DI 10.1007/978-1-4939-1399-2_9 D2 10.1007/978-1-4939-1399-2 PG 21 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA BD0UK UT WOS:000357719000009 ER PT S AU Harding, TH Rash, CE McLean, WE Martin, JS AF Harding, Thomas H. Rash, Clarence E. McLean, William E. Martin, John S. BE Desjardins, DD Marasco, PL Sarma, KR Havig, PR Browne, MP Melzer, JE TI Impact of human factors, crashworthiness and optical performance design requirements on helmet-mounted display development from the 1970s to the present SO DISPLAY TECHNOLOGIES AND APPLICATIONS FOR DEFENSE, SECURITY, AND AVIONICS IX; AND HEAD- AND HELMET-MOUNTED DISPLAYS XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Display Technologies and Applications for Defense, Security, and Avionics IX and Head- and Helmet-Mounted Displays XX CY APR 21-23, 2015 CL Baltimore, MD SP SPIE DE helmet-mounted display (HMD); human factors engineering (HFE); design issues; human factors engineering (HFE); crash-worthiness; center-of-mass (CM); visual performance AB Driven by the operational needs of modern warfare, the helmet-mounted display (HMD) has matured from a revolutionary, but impractical, World War I era idea for an infantry marksman's helmet-mounted weapon delivery system to a sophisticated and ubiquitous display and targeting system that dominates current night warfighting operations. One of the most demanding applications for HMD designs has been in Army rotary-wing aviation, where HMDs offer greater direct access to visual information and increased situational awareness in an operational environment where information availability is critical on a second-to-second basis. However, over the past 40 years of extensive HMD development, a myriad of crashworthiness, optical, and human factors issues have both frustrated and challenged designers. While it may be difficult to attain a full consensus on which are the most important HMD design factors, certainly head-supported weight (HSW), exit pupil size, field-of-view, image resolution and physical eye relief have been among the most critical. A confounding factor has been the interrelationship between the many design issues, such as early attempts to use non-glass optical elements to lower HSW, but at the cost of image quality, and hence, pilot visual performance. This paper traces how the role of the demanding performance requirements placed on HMDs by the U.S. Army aviation community has impacted the progress of HMD designs towards the Holy Grail of HMD design: a wide field-of-view, high resolution, binocular, full-color, totally crashworthy system. C1 [Harding, Thomas H.; Martin, John S.] US Army Aeromed Res Lab, Ft Rucker, AL 36362 USA. [Rash, Clarence E.; McLean, William E.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. RP Harding, TH (reprint author), US Army Aeromed Res Lab, POB 620577, Ft Rucker, AL 36362 USA. EM Thomas.h.harding.civ@mail.mil NR 43 TC 0 Z9 0 U1 1 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-586-5 J9 PROC SPIE PY 2015 VL 9470 AR 94700U DI 10.1117/12.2176405 PG 15 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BD0OE UT WOS:000357466100018 ER PT S AU McLean, W Statz, J Estes, V Booms, S Martin, JS Harding, T AF McLean, William Statz, Jonathan Estes, Victor Booms, Shawn Martin, John S. Harding, Thomas BE Desjardins, DD Marasco, PL Sarma, KR Havig, PR Browne, MP Melzer, JE TI Development of a helmet/helmet-display-unit alignment tool (HAT) for the Apache helmet and display unit SO DISPLAY TECHNOLOGIES AND APPLICATIONS FOR DEFENSE, SECURITY, AND AVIONICS IX; AND HEAD- AND HELMET-MOUNTED DISPLAYS XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Display Technologies and Applications for Defense, Security, and Avionics IX; and Head- and Helmet-Mounted Displays XX CY APR 21-23, 2015 CL Baltimore, MD SP SPIE DE helmet display alignment; helmet fitting; Apache AH-64 AB Project Manager (PM) Apache Block III contacted the U.S. Army Aeromedical Research Laboratory (USAARL), Fort Rucker, Alabama, requesting assistance to evaluate and find solutions to a government-developed Helmet Display Unit (HDU) device called the Mock HDU for helmet alignment of the Apache Advanced Integrated Helmet (AAIH). The AAIH is a modified Head Gear Unit No. 56 for Personnel (HGU-56/P) to replace the current Integrated Helmet and Sighting System (IHADSS). The current flashlight-based HDU simulator for helmet/HDU alignment was no longer in production or available. Proper helmet/HDU alignment is critical to position the right eye in the small HDU eye box to obtain image alignment and full field of view (FOV). The initial approach of the PM to developing a helmet/HDU fitting device (Mock HDU) was to duplicate the optical characteristics of the current tactical HDU using less complex optics. However, the results produced questionable alignment, FOV, and distortion issues, with cost and development time overruns. After evaluating the Mock HDU, USAARL proposed a cost effective, less complex optical design called the Helmet/HDU Alignment Tool (HAT). This paper will show the development, components, and evaluations of the HAT compared to the current flashlight HDU simulator device. The laboratory evaluations included FOV measurements and alignment accuracies compared to tactical HDUs. The Apache helmet fitter technicians and Apache pilots compared the HAT to the current flashlight based HDU and ranked the HAT superior. C1 [Estes, Victor; Booms, Shawn; Martin, John S.; Harding, Thomas] US Army Aeromed Res Lab, Ft Rucker, AL 36362 USA. [McLean, William; Statz, Jonathan] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. RP McLean, W (reprint author), Oak Ridge Inst Sci & Educ, POB 117, Oak Ridge, TN 37831 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-586-5 J9 PROC SPIE PY 2015 VL 9470 AR 947013 DI 10.1117/12.2176411 PG 11 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BD0OE UT WOS:000357466100026 ER PT J AU Le Quere, C Moriarty, R Andrew, RM Peters, GP Ciais, P Friedlingstein, P Jones, SD Sitch, S Tans, P Arneth, A Boden, TA Bopp, L Bozec, Y Canadell, JG Chini, LP Chevallier, F Cosca, CE Harris, I Hoppema, M Houghton, RA House, JI Jain, AK Johannessen, T Kato, E Keeling, RF Kitidis, V Goldewijk, KK Koven, C Landa, CS Landschutzer, P Lenton, A Lima, ID Marland, G Mathis, JT Metzl, N Nojiri, Y Olsen, A Ono, T Peng, S Peters, W Pfeil, B Poulter, B Raupach, MR Regnier, P Rodenbeck, C Saito, S Salisbury, JE Schuster, U Schwinger, J Seferian, R Segschneider, J Steinhoff, T Stocker, BD Sutton, AJ Takahashi, T Tilbrook, B van der Werf, GR Viovy, N Wang, YP Wanninkhof, R Wiltshire, A Zeng, N AF Le Quere, C. Moriarty, R. Andrew, R. M. Peters, G. P. Ciais, P. Friedlingstein, P. Jones, S. D. Sitch, S. Tans, P. Arneth, A. Boden, T. A. Bopp, L. Bozec, Y. Canadell, J. G. Chini, L. P. Chevallier, F. Cosca, C. E. Harris, I. Hoppema, M. Houghton, R. A. House, J. I. Jain, A. K. Johannessen, T. Kato, E. Keeling, R. F. Kitidis, V. Goldewijk, K. Klein Koven, C. Landa, C. S. Landschuetzer, P. Lenton, A. Lima, I. D. Marland, G. Mathis, J. T. Metzl, N. Nojiri, Y. Olsen, A. Ono, T. Peng, S. Peters, W. Pfeil, B. Poulter, B. Raupach, M. R. Regnier, P. Roedenbeck, C. Saito, S. Salisbury, J. E. Schuster, U. Schwinger, J. Seferian, R. Segschneider, J. Steinhoff, T. Stocker, B. D. Sutton, A. J. Takahashi, T. Tilbrook, B. van der Werf, G. R. Viovy, N. Wang, Y. -P. Wanninkhof, R. Wiltshire, A. Zeng, N. TI Global carbon budget 2014 SO EARTH SYSTEM SCIENCE DATA LA English DT Article ID LAND-USE CHANGE; ENVIRONMENT SIMULATOR JULES; CO2 FLUX VARIABILITY; MIXED-LAYER SCHEME; EARTH SYSTEM MODEL; ATMOSPHERIC CO2; DIOXIDE EMISSIONS; INTERANNUAL VARIABILITY; TERRESTRIAL ECOSYSTEMS; INTERNATIONAL-TRADE AB Accurate assessment of anthropogenic carbon dioxide (CO2) emissions and their redistribution among the atmosphere, ocean, and terrestrial biosphere is important to better understand the global carbon cycle, support the development of climate policies, and project future climate change. Here we describe data sets and a methodology to quantify all major components of the global carbon budget, including their uncertainties, based on the combination of a range of data, algorithms, statistics, and model estimates and their interpretation by a broad scientific community. We discuss changes compared to previous estimates, consistency within and among components, alongside methodology and data limitations. CO2 emissions from fossil fuel combustion and cement production (E-FF) are based on energy statistics and cement production data, respectively, while emissions from land-use change (E-LUC), mainly deforestation, are based on combined evidence from land-cover-change data, fire activity associated with deforestation, and models. The global atmospheric CO2 concentration is measured directly and its rate of growth (G(ATM)) is computed from the annual changes in concentration. The mean ocean CO2 sink (S-OCEAN) is based on observations from the 1990s, while the annual anomalies and trends are estimated with ocean models. The variability in S-OCEAN is evaluated with data products based on surveys of ocean CO2 measurements. The global residual terrestrial CO2 sink (S-LAND) is estimated by the difference of the other terms of the global carbon budget and compared to results of independent dynamic global vegetation models forced by observed climate, CO2, and land-cover-change (some including nitrogen-carbon interactions). We compare the mean land and ocean fluxes and their variability to estimates from three atmospheric inverse methods for three broad latitude bands. All uncertainties are reported as +/- 1 sigma, reflecting the current capacity to characterise the annual estimates of each component of the global carbon budget. For the last decade available (2004-2013), E-FF was 8.9 +/- 0.4 GtC yr(-1), E-LUC 0.9 +/- 0.5 GtC yr(-1), G(ATM) 4.3 +/- 0.1 GtC yr(-1), S-OCEAN 2.6 +/- 0.5 GtC yr(-1), and S-LAND 2.9 +/- 0.8 GtC yr(-1). For year 2013 alone, E-FF grew to 9.9 +/- 0.5 GtC yr(-1), 2.3% above 2012, continuing the growth trend in these emissions, E-LUC was 0.9 +/- 0.5 GtC yr(-1), G(ATM) was 5.4 +/- 0.2 GtC yr(-1), S-OCEAN was 2.9 +/- 0.5 GtC yr(-1), and S-LAND was 2.5 +/- 0.9 GtC yr(-1). G(ATM) was high in 2013, reflecting a steady increase in E-FF and smaller and opposite changes between S-OCEAN and S-LAND compared to the past decade (2004-2013). The global atmospheric CO2 concentration reached 395.31 +/- 0.10 ppm averaged over 2013. We estimate that E-FF will increase by 2.5% (1.3-3.5 %) to 10.1 +/- 0.6 GtC in 2014 (37.0 +/- 2.2 GtCO(2) yr(-1)), 65% above emissions in 1990, based on projections of world gross domestic product and recent changes in the carbon intensity of the global economy. From this projection of E-FF and assumed constant E-LUC for 2014, cumulative emissions of CO2 will reach about 545 +/- 55 GtC (2000 +/- 200 GtCO(2)) for 1870-2014, about 75% from E-FF and 25% from E-LUC. This paper documents changes in the methods and data sets used in this new carbon budget compared with previous publications of this living data set (Le Quere et al., 2013, 2014). All observations presented here can be downloaded from the Carbon Dioxide Information Analysis Center (doi:10.3334/CDIAC/GCP_2014). C1 [Le Quere, C.; Moriarty, R.; Jones, S. D.] Univ E Anglia, Tyndall Ctr Climate Change Res, Norwich NR4 7TJ, Norfolk, England. [Andrew, R. M.; Peters, G. P.] Ctr Int Climate & Environm Res Oslo CICERO, Oslo, Norway. [Ciais, P.; Bopp, L.; Chevallier, F.; Peng, S.; Viovy, N.] UVSQ, CNRS, Inst Pierre Simon Laplace, Lab Sci Climat & Environm,CEA,CE Orme Merisiers, F-91191 Gif Sur Yvette, France. [Friedlingstein, P.] Univ Exeter, Coll Engn Math & Phys Sci, Exeter EX4 4QF, Devon, England. [Sitch, S.; Schuster, U.] Univ Exeter, Coll Life & Environm Sci, Exeter EX4 4QE, Devon, England. [Tans, P.] NOAA, Earth Syst Res Lab, Boulder, CO 80305 USA. [Arneth, A.] Karlsruhe Inst Technol, Inst Meteorol & Climate Res Atmospher Environm, D-82467 Garmisch Partenkirchen, Germany. [Boden, T. A.] Oak Ridge Natl Lab, Carbon Dioxide Informat Anal Ctr CDIAC, Oak Ridge, TN USA. [Bozec, Y.] CNRS, Equipe Chim Marine, Stn Biolog Roscoff, UMR7144, F-29680 Roscoff, France. [Bozec, Y.] Univ Paris 06, Sorbonne Univ, Adaptat & Diversite Milieu Marin UMR7144, Stn Biol Roscoff, F-29680 Roscoff, France. [Canadell, J. G.] CSIRO Oceans & Atmosphere Flagship, Global Carbon Project, Canberra, ACT 2601, Australia. [Chini, L. P.] Univ Maryland, Dept Geog Sci, College Pk, MD 20742 USA. [Cosca, C. E.; Mathis, J. T.; Sutton, A. J.] NOAA, Pacific Marine Environm Lab, Seattle, WA 98115 USA. [Harris, I.] Univ E Anglia, Climat Res Unit, Norwich NR4 7TJ, Norfolk, England. [Hoppema, M.] Helmholtz Ctr Polar & Marine Res, Alfred Wegener Inst, D-27515 Bremerhaven, Germany. [Houghton, R. A.] Woods Hole Res Ctr WHRC, Falmouth, MA 02540 USA. [House, J. I.] Univ Bristol, Dept Geog, Cabot Inst, Bristol BS8 1TH, Avon, England. [Jain, A. K.] Univ Illinois, Dept Atmospher Sci, Urbana, IL 61821 USA. [Johannessen, T.; Landa, C. S.; Olsen, A.; Pfeil, B.; Schwinger, J.] Univ Bergen, Geophys Inst, N-5007 Bergen, Norway. [Johannessen, T.; Landa, C. S.; Olsen, A.; Pfeil, B.; Schwinger, J.] Bjerknes Ctr Climate Res, N-5007 Bergen, Norway. [Kato, E.; Nojiri, Y.] Natl Inst Environm Studies NIES, Ctr Global Environm Res, Tsukuba, Ibaraki 3058506, Japan. [Kato, E.] Inst Appl Energy IAE, Tokyo 1050003, Japan. [Keeling, R. F.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Kitidis, V.] Plymouth Marine Lab, Plymouth PL1 3DH, Devon, England. [Goldewijk, K. Klein] PBL Netherlands Environm Assessment Agcy, The Hague, Netherlands. [Goldewijk, K. Klein] Univ Utrecht, Utrecht, Netherlands. [Koven, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Landschuetzer, P.] ETH, Inst Biogeochem & Pollutant Dynam, Environm Phys Grp, CH-8092 Zurich, Switzerland. [Lenton, A.] CSIRO Oceans & Atmosphere Flagship, Hobart, Tas, Australia. [Lima, I. D.] Woods Hole Oceanog Inst WHOI, Woods Hole, MA 02543 USA. [Marland, G.] Appalachian State Univ, Res Inst Environm Energy & Econ, Boone, NC 28608 USA. [Metzl, N.] Univ Paris 06, Sorbonne Univ, CNRS, IRD,MNHN,LOCEAN IPSL Lab, F-75252 Paris, France. [Ono, T.] Fisheries Res Agcy, Natl Res Inst Fisheries Sci, Kanazawa Ku, Yokohama, Kanagawa 2368648, Japan. [Peters, W.] Wageningen Univ, Environm Sci Grp, Dept Meteorol & Air Qual, NL-6700 AA Wageningen, Netherlands. [Poulter, B.] Montana State Univ, Dept Ecol, Bozeman, MT 59717 USA. [Raupach, M. R.] Australian Natl Univ, ANU Climate Change Inst, Fenner Sch Environm & Soc, Canberra, ACT 0200, Australia. [Regnier, P.] Univ Libre Bruxelles, Dept Earth & Environm Sci, B-1050 Brussels, Belgium. [Roedenbeck, C.] Max Planck Inst Biogeochem, D-07745 Jena, Germany. [Saito, S.] Japan Meteorol Agcy, Global Environm & Marine Dept, Marine Div, Chiyoda Ku, Tokyo 1008122, Japan. [Salisbury, J. E.] Univ New Hampshire, Ocean Proc Anal Lab, Durham, NH 03824 USA. [Seferian, R.] CNRS, CNRM GAME, Meteo France CNRS, F-31100 Toulouse, France. [Segschneider, J.] Max Planck Inst Meteorol, D-20146 Hamburg, Germany. [Steinhoff, T.] GEOMAR Helmholtz Ctr Ocean Res Kiel, D-24105 Kiel, Germany. [Stocker, B. D.] Univ Bern, Climate & Environm Phys, Bern, Switzerland. [Stocker, B. D.] Univ Bern, Oeschger Ctr Climate Change Res, Bern, Switzerland. [Stocker, B. D.] Univ London Imperial Coll Sci Technol & Med, Dept Life Sci, Ascot SL5 7PY, Berks, England. [Sutton, A. J.] Univ Washington, Joint Inst Study Atmosphere & Oceans, Seattle, WA 98195 USA. [Takahashi, T.] Lamont Doherty Earth Observ Columbia Univ, Palisades, NY 10964 USA. [Tilbrook, B.] CSIRO Oceans & Atmosphere, Hobart, Tas, Australia. [Tilbrook, B.] Antarctic Climate & Ecosyst Cooperat Res Ctr, Hobart, Tas, Australia. [van der Werf, G. R.] Vrije Univ Amsterdam, Fac Earth & Life Sci, Amsterdam, Netherlands. [Wang, Y. -P.] CSIRO Ocean & Atmosphere, Aspendale, Vic 3195, Australia. [Wanninkhof, R.] NOAA, AOML, Miami, FL 33149 USA. [Wiltshire, A.] Met Off Hadley Ctr, Exeter EX1 3PB, Devon, England. [Zeng, N.] Univ Maryland, Dept Atmospher & Ocean Sci, College Pk, MD 20742 USA. RP Le Quere, C (reprint author), Univ E Anglia, Tyndall Ctr Climate Change Res, Norwich Res Pk, Norwich NR4 7TJ, Norfolk, England. EM c.lequere@uea.ac.uk RI Sutton, Adrienne/C-7725-2015; Jain, Atul/D-2851-2016; Koven, Charles/N-8888-2014; Le Quere, Corinne/C-2631-2017; wang, yp/A-9765-2011; Lenton, Andrew/D-2077-2012; Klein Goldewijk, Kees/L-5567-2013; Canadell, Josep/E-9419-2010; Peters, Wouter/B-8305-2008; Zeng, Ning/A-3130-2008; Friedlingstein, Pierre/H-2700-2014; van der Werf, Guido/M-8260-2016; Stocker, Benjamin/K-3194-2015; Tilbrook, Bronte/A-1522-2012; Olsen, Are/A-1511-2011; Lima, Ivan/A-6823-2016; House, Joanna/B-6477-2016; Nojiri, Yukihiro/D-1999-2010; Peng, Shushi/J-4779-2014; Chevallier, Frederic/E-9608-2016 OI Hoppema, Mario/0000-0002-2326-619X; Poulter, Benjamin/0000-0002-9493-8600; Kitidis, Vassilis/0000-0003-3949-3802; Moriarty, Roisin/0000-0003-1993-1756; Andrew, Robbie/0000-0001-8590-6431; Sutton, Adrienne/0000-0002-7414-7035; Jain, Atul/0000-0002-4051-3228; Koven, Charles/0000-0002-3367-0065; Le Quere, Corinne/0000-0003-2319-0452; Lenton, Andrew/0000-0001-9437-8896; Jones, Steve/0000-0003-0522-9851; Canadell, Josep/0000-0002-8788-3218; Peters, Wouter/0000-0001-8166-2070; Zeng, Ning/0000-0002-7489-7629; van der Werf, Guido/0000-0001-9042-8630; Stocker, Benjamin/0000-0003-2697-9096; Tilbrook, Bronte/0000-0001-9385-3827; Olsen, Are/0000-0003-1696-9142; Lima, Ivan/0000-0001-5345-0652; House, Joanna/0000-0003-4576-3960; Nojiri, Yukihiro/0000-0001-9885-9195; Peng, Shushi/0000-0001-5098-726X; Chevallier, Frederic/0000-0002-4327-3813 FU International Opportunities Fund [NE/103002X/1]; UKOARP [NE/H017046/1]; Norwegian Research Council [236296]; US Department of Energy, Office of Science, Biological and Environmental Research (BER) programmes under US Department of Energy [DE-AC05-00OR22725]; Region Bretagne; INSU (LEFE/MERMEX) for CARBORHONE cruises; Australian Climate Change Science Programme; ICOSD through the German Federal Ministry of Education and Research (BMBF) [01 LK 1224I]; Leverhulme Early Career Fellowship; US National Science Foundation [NSF AGS 12-43071]; US Department of Energy, Office of Science, and BER programmes [DOE DE-SC0006706]; NASA LCLUC programme [NASA NNX14AD94G]; Environment Research and Technology Development Fund of the Ministry of Environment of Japan [S-10]; Office of Science, Office of Biological and Environmental Research, of the US Department of Energy [DE-AC02-05CH11231]; U. S. National Science Foundation [NSF AGS-1048827]; Institut National des Sciences de l'Univers (INSU); Institut Paul Emile Victor (IPEV) for OISO cruises; Centre for Climate Dynamics at the Bjerknes Centre for Climate Research; NOAA/NASA; ICOS-D [BMBF FK 01LK1101C]; Swiss National Science Foundation; FP7 through project EMBRACE [282672]; NOAA; Comer Education and Science Foundation; Australian Department of the Environment and the Integrated Marine Observing System; UK DECC/Defra Met Office Hadley Centre Climate Programme [GA01101]; EU FP7 [283080]; COMBINE [226520]; EU FP7 through project CARBOCHANGE [264879]; EU [GA603542, GA282672, 283576]; EMBRACE [GA282672]; DOE [DE-SC0005090]; NSF [ATM-1036399]; NOAA [NA10OAR4320156]; [CG29] FX NERC provided funding to C. Le Quere, R. Moriarty, and the GCP though their International Opportunities Fund specifically to support this publication (NE/103002X/1), and to U. Schuster through UKOARP (NE/H017046/1). G. P. Peters and R. M. Andrews were supported by the Norwegian Research Council (236296). T. A. Boden was supported by US Department of Energy, Office of Science, Biological and Environmental Research (BER) programmes under US Department of Energy contract DE-AC05-00OR22725. Y. Bozec was supported by Region Bretagne, CG29, and INSU (LEFE/MERMEX) for CARBORHONE cruises. J. G. Canadell and M. R. Raupach were supported by the Australian Climate Change Science Programme. M. Hoppema received ICOSD funding through the German Federal Ministry of Education and Research (BMBF) to the AWI (01 LK 1224I). J. I. House was supported by a Leverhulme Early Career Fellowship. A. K. Jain was supported by the US National Science Foundation (NSF AGS 12-43071) the US Department of Energy, Office of Science, and BER programmes (DOE DE-SC0006706) and the NASA LCLUC programme (NASA NNX14AD94G). E. Kato was supported by the Environment Research and Technology Development Fund (S-10) of the Ministry of Environment of Japan. C. Koven was supported by the Director, Office of Science, Office of Biological and Environmental Research, of the US Department of Energy under contract no. DE-AC02-05CH11231 as part of their Regional and Global Climate Modeling Program. I. D. Lima was supported by the U. S. National Science Foundation (NSF AGS-1048827). N. Metzl was supported by Institut National des Sciences de l'Univers (INSU) and Institut Paul Emile Victor (IPEV) for OISO cruises. A. Olsen was supported by the Centre for Climate Dynamics at the Bjerknes Centre for Climate Research. J. E. Salisbury was supported by grants from NOAA/NASA. T. Steinhoff was supported by ICOS-D (BMBF FK 01LK1101C). B. D. Stocker was supported by the Swiss National Science Foundation and FP7 funding through project EMBRACE (282672). A. J. Sutton was supported by NOAA. T. Takahashi was supported by grants from NOAA and the Comer Education and Science Foundation. B. Tilbrook was supported by the Australian Department of the Environment and the Integrated Marine Observing System. A. Wiltshire was supported by the Joint UK DECC/Defra Met Office Hadley Centre Climate Programme (GA01101). P. Ciais, W. Peters, C. Le Quere, P. Regnier, and U. Schuster were supported by the EU FP7 through project GEOCarbon (283080). A. Arneth, P. Ciais, S. Sitch, and A. Wiltshire were supported by COMBINE (226520). V. Kitidis, M. Hoppema, N. Metzl, C. Le Quere, U. Schuster, J. Schwiger, J. Segschneider, and T. Steinhoff were supported by the EU FP7 through project CARBOCHANGE (264879). A. Arnet, P. Friedlingstein, B. Poulter, and S. Sitch were supported by the EU FP7 through projects LUC4C (GA603542). P. Friedlingstein was also supported by EMBRACE (GA282672). F. Chevallier and G. R. van der Werf were supported by the EU FP7 through project MACC-II (283576). This is NOAA-PMEL contribution number 4216. Contributions from the Scripps Institution of Oceanography were supported by DOE grant DE-SC0005090, NSF grant ATM-1036399, and NOAA grant NA10OAR4320156. NR 128 TC 111 Z9 111 U1 23 U2 210 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1866-3508 EI 1866-3516 J9 EARTH SYST SCI DATA JI Earth Syst. Sci. Data PY 2015 VL 7 IS 1 BP 47 EP 85 DI 10.5194/essd-7-47-2015 PG 39 WC Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Geology; Meteorology & Atmospheric Sciences GA CL4PC UT WOS:000356934300005 ER PT J AU Younesi, R Veith, GM Johansson, P Edstrom, K Vegge, T AF Younesi, Reza Veith, Gabriel M. Johansson, Patrik Edstrom, Kristina Vegge, Tejs TI Lithium salts for advanced lithium batteries: Li-metal, Li-O-2, and Li-S SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Review ID QUARTZ-CRYSTAL MICROBALANCE; ION BATTERIES; AIR BATTERIES; THERMAL-STABILITY; ELECTROLYTE SALTS; SULFUR BATTERIES; LIQUID ELECTROLYTES; SECONDARY BATTERIES; OXYGEN BATTERIES; ELECTROCHEMICAL PROPERTIES AB Presently lithium hexafluorophosphate (LiPF6) is the dominant Li-salt used in commercial rechargeable lithium-ion batteries (LIBs) based on a graphite anode and a 3-4 V cathode material. While LiPF6 is not the ideal Li-salt for every important electrolyte property, it has a uniquely suitable combination of properties (temperature range, passivation, conductivity, etc.) rendering it the overall best Li-salt for LIBs. However, this may not necessarily be true for other types of Li-based batteries. Indeed, next generation batteries, for example lithium-metal (Li-metal), lithium-oxygen (Li-O-2), and lithium-sulfur (Li-S), require a re-evaluation of Li-salts due to the different electrochemical and chemical reactions and conditions within such cells. This review explores the critical role Li-salts play in ensuring in these batteries viability. C1 [Younesi, Reza; Vegge, Tejs] Tech Univ Denmark, Dept Energy Convers & Storage, DK-4000 Roskilde, Denmark. [Younesi, Reza; Edstrom, Kristina] Uppsala Univ, Dept Chem, Angstrom Lab, SE-75121 Uppsala, Sweden. [Veith, Gabriel M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Johansson, Patrik] Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden. [Johansson, Patrik; Edstrom, Kristina] ALISTORE ERI European Res Inst, F-80039 Amiens, France. RP Younesi, R (reprint author), Tech Univ Denmark, Dept Energy Convers & Storage, Frederiksborgvej 399,POB 49, DK-4000 Roskilde, Denmark. EM reyo@dtu.dk RI Johansson, Patrik/A-7660-2010; Younesi, Reza/K-9003-2012; Vegge, Tejs/A-9419-2011 OI Edstroem, Kristina/0000-0003-4440-2952; Johansson, Patrik/0000-0002-9907-117X; Younesi, Reza/0000-0003-2538-8104; Vegge, Tejs/0000-0002-1484-0284 FU Danish Council for Strategic Research Programme Commission on Sustainable Energy and Environment under the Danish Innovation Foundation [11-116792/0603-00462B]; U.S. Department of Energy's Office of Basic Energy Science (DOE-BES), Division of Materials Sciences and Engineering; UT-Battelle, LLC; UU/KTH StandUp for Energy; Chalmers Areas of Advance: Materials Science, Energy and Transport; Swedish Foundation for Strategic Research (SSF); Battery Fond FX The authors acknowledge support of this work from the ReLiable project (project nr. 11-116792/0603-00462B) funded by the Danish Council for Strategic Research Programme Commission on Sustainable Energy and Environment under the Danish Innovation Foundation. A portion of this work (GMV) was supported by U.S. Department of Energy's Office of Basic Energy Science (DOE-BES), Division of Materials Sciences and Engineering, under contract with UT-Battelle, LLC. In addition, the UU/KTH StandUp for Energy as well as several of Chalmers Areas of Advance: Materials Science, Energy and Transport, the Swedish Foundation for Strategic Research (SSF) within the project Road to load and the Battery Fond administrated by the Swedish Energy Agency, are all acknowledged for support. NR 197 TC 34 Z9 35 U1 78 U2 340 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2015 VL 8 IS 7 BP 1905 EP 1922 DI 10.1039/c5ee01215e PG 18 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA CM2VV UT WOS:000357541300004 ER PT J AU Gong, J Darling, SB You, FQ AF Gong, Jian Darling, Seth B. You, Fengqi TI Perovskite photovoltaics: life-cycle assessment of energy and environmental impacts SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID HETEROJUNCTION SOLAR-CELLS; PAYBACK TIME; DEPOSITION; EFFICIENCY; SYSTEMS; PERFORMANCE; CADMIUM; MODULES; CDTE AB The past few years have witnessed a rapid evolution of perovskite solar cells, an unprecedented photovoltaic (PV) technology with both relatively low cost and high power conversion efficiency. In this paper, we perform a life cycle assessment for two types of solution-processed perovskite solar modules to shed light on the environmental performance of this promising class of PVs. One module is equipped with FTO glass, a gold cathode, and mesoporous TiO2 scaffold; the other is equipped with ITO glass, a silver cathode, and ZnO thin film. We develop comprehensive life cycle inventories (LCIs) for all components used in the modules. Based on the LCI results, we conduct life cycle impact assessment for 16 common life cycle impact indicators, Eco-indicator 99, and two sustainable indicators: the energy payback time (EPBT) and the CO2 emission factor. We compare the results of Eco-indicator 99, the EPBT, and the CO2 emission factor among existing PV technologies, and further perform uncertainty analysis and sensitivity analysis for the two modules. The results demonstrate that perovskite solar modules possess the shortest EPBT, and future research should be directed to improving the system performance ratio and the device lifetime, and reducing precious metal consumption and energy-intensive operations in order to lower the CO2 emission factor. C1 [Gong, Jian; You, Fengqi] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA. [Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Darling, Seth B.] Univ Chicago, Inst Mol Engn, Chicago, IL USA. RP Gong, J (reprint author), Northwestern Univ, Dept Chem & Biol Engn, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM you@northwestern.edu RI You, Fengqi/B-5040-2011; You, Fengqi/F-6894-2011 OI You, Fengqi/0000-0001-9609-4299; FU Institute for Sustainability and Energy at Northwestern University (ISEN); U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357] FX We gratefully acknowledge the financial support from the Institute for Sustainability and Energy at Northwestern University (ISEN). This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract no. DE-AC02-06CH11357. The authors thank C.-C. Ho for useful conversations regarding perovskite PV device processing. NR 60 TC 73 Z9 73 U1 24 U2 106 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2015 VL 8 IS 7 BP 1953 EP 1968 DI 10.1039/c5ee00615e PG 16 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA CM2VV UT WOS:000357541300007 ER PT J AU Wu, D Zhao, LD Tong, X Li, W Wu, LJ Tan, Q Pei, YL Huang, L Li, JF Zhu, YM Kanatzidis, MG He, JQ AF Wu, Di Zhao, Li-Dong Tong, Xiao Li, Wei Wu, Lijun Tan, Qing Pei, Yanling Huang, Li Li, Jing-Feng Zhu, Yimei Kanatzidis, Mercouri G. He, Jiaqing TI Superior thermoelectric performance in PbTe-PbS pseudo-binary: extremely low thermal conductivity and modulated carrier concentration SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID DENSITY-OF-STATES; BULK THERMOELECTRICS; PHONON-SCATTERING; PANOSCOPIC APPROACH; HIGH FIGURE; MERIT; NANOSTRUCTURES; EFFICIENCY; ENHANCEMENT; TEMPERATURE AB Lead chalcogenides are dominant thermoelectric materials in the medium-temperature range due to their highly favorable electronic band structures and low thermal conductivities. An important system is the PbTe-PbS pseudo-binary, and its low thermal conductivity originates largely from the coexistence of both alloying and nanostructuring through phase-separation. To better understand the competition between the alloying and phase separation and its pronounced effects on the thermoelectric performance in PbTe-PbS, we systematically studied, via transmission electron microscopy (TEM) observations and theoretical calculations, the samples of Spark Plasma Sintered (SPSed) 3 at% Na-doped (PbTe)(1-x)(PbS)(x) with x = 10%, 15%, 20%, 25%, 30% and 35%. The highest figure of merit, viz., ZT similar to 2.3 was obtained at 923 K, when the PbS phase-fraction, x, was 20%, which corresponds to the lowest lattice thermal conductivity of the series. The consistently lower lattice thermal conductivities in the SPSed samples as compared with the corresponding ingots originates from the mesostructured nature of the former, which contributes significantly to their superior ZT. We also studied the onset of carrier concentration modulation at similar to 600 K, which leads to the observed saturation of electrical transport properties due to the diffusion and re-dissolution of excessive Na into the PbTe-PbS matrix. This carrier concentration modulation is equally crucial to achieve very high power factors (up to 26.5 mW cm(-1) K-2 at 623 K) and outstanding thermoelectric performances in SPSed PbTe-PbS binaries. C1 [Wu, Di; Tong, Xiao; Li, Wei; Huang, Li; He, Jiaqing] South Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Peoples R China. [Wu, Di; Li, Wei; Huang, Li; He, Jiaqing] Shenzhen Key Lab Thermoelect Mat, Shenzhen 518055, Peoples R China. [Zhao, Li-Dong; Pei, Yanling] Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China. [Zhao, Li-Dong; Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Wu, Lijun; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Tan, Qing; Li, Jing-Feng] Tsinghua Univ, Sch Mat Sci & Engn, Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China. RP Wu, D (reprint author), South Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Peoples R China. EM m-kanatzidis@northwestern.edu; he.jq@sustc.edu.cn RI Li, Jing-Feng/D-2770-2014; Wu, Di/L-2437-2015 OI Li, Jing-Feng/0000-0002-0185-0512; FU South University of Science and Technology of China; Science, Technology and Innovation Commission of Shenzhen Municipality [JCYJ20140612140151884]; NSFC [11404160, 51202008]; Beihang University; Recruitment Program for Young Professionals; Postdoctoral Science Foundation of China [2013M540037]; Revolutionary Materials for Solid State Energy Conversion, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-SC0001054] FX This contribution was supported by the startup of South University of Science and Technology of China, and partly supported by the Science, Technology and Innovation Commission of Shenzhen Municipality (Grant No. JCYJ20140612140151884), the NSFC under Grant No. 11404160 (Li Huang), the "Zhuoyue program" from Beihang University and the Recruitment Program for Young Professionals (L-D. Zhao), the NSFC under Grant No. 51202008, and the Postdoctoral Science Foundation of China (2013M540037) (Y.L. Pei). At Northwestern, the study was supported as part of the Revolutionary Materials for Solid State Energy Conversion, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences under Award Number DE-SC0001054. D. Wu would like to thank Haijun Wu and Fengshan Zheng for their thoughtful discussions on this manuscript. NR 57 TC 21 Z9 21 U1 20 U2 114 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2015 VL 8 IS 7 BP 2056 EP 2068 DI 10.1039/c5ee01147g PG 13 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA CM2VV UT WOS:000357541300018 ER PT J AU Lucas, DD Kwok, CY Cameron-Smith, P Graven, H Bergmann, D Guilderson, TP Weiss, R Keeling, R AF Lucas, D. D. Kwok, C. Yver Cameron-Smith, P. Graven, H. Bergmann, D. Guilderson, T. P. Weiss, R. Keeling, R. TI Designing optimal greenhouse gas observing networks that consider performance and cost SO GEOSCIENTIFIC INSTRUMENTATION METHODS AND DATA SYSTEMS LA English DT Article ID AIR-QUALITY; WRF MODEL; INVERSION; OPTIMIZATION; SENSITIVITY; PREDICTION; ALGORITHM; EMISSIONS; TRANSPORT; TRACER AB Emission rates of greenhouse gases (GHGs) entering into the atmosphere can be inferred using mathematical inverse approaches that combine observations from a network of stations with forward atmospheric transport models. Some locations for collecting observations are better than others for constraining GHG emissions through the inversion, but the best locations for the inversion may be inaccessible or limited by economic and other non-scientific factors. We present a method to design an optimal GHG observing network in the presence of multiple objectives that may be in conflict with each other. As a demonstration, we use our method to design a prototype network of six stations to monitor summertime emissions in California of the potent GHG 1,1,1,2-tetrafluoroethane (CH2FCF3, HFC-134a). We use a multiobjective genetic algorithm to evolve network configurations that seek to jointly maximize the scientific accuracy of the inferred HFC-134a emissions and minimize the associated costs of making the measurements. The genetic algorithm effectively determines a set of 'optimal' observing networks for HFC-134a that satisfy both objectives (i.e., the Pareto frontier). The Pareto frontier is convex, and clearly shows the tradeoffs between performance and cost, and the diminishing returns in trading one for the other. Without difficulty, our method can be extended to design optimal networks to monitor two or more GHGs with different emissions patterns, or to incorporate other objectives and constraints that are important in the practical design of atmospheric monitoring networks. C1 [Lucas, D. D.; Cameron-Smith, P.; Bergmann, D.; Guilderson, T. P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Kwok, C. Yver] Lab Sci Climat & Environm, Gif Sur Yvette, France. [Graven, H.] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London, England. [Graven, H.] Univ London Imperial Coll Sci Technol & Med, Grantham Inst, London, England. [Graven, H.; Weiss, R.; Keeling, R.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. RP Lucas, DD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM ddlucas@alum.mit.edu RI Cameron-Smith, Philip/E-2468-2011; OI Cameron-Smith, Philip/0000-0002-8802-8627; Graven, Heather/0000-0003-3934-2502 FU National Institute of Standards and Technology [60NANB10D026]; Laboratory Directed Research and Development projects at the Lawrence Livermore National Laboratory [GS-07ERD064, PLS-14ERD006]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was funded by the National Institute of Standards and Technology (grant number 60NANB10D026) and Laboratory Directed Research and Development projects at the Lawrence Livermore National Laboratory (tracking codes GS-07ERD064 and PLS-14ERD006). The work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, and is released under UCRL number LLNL-JRNL-659224. NR 55 TC 2 Z9 2 U1 2 U2 9 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 2193-0856 EI 2193-0864 J9 GEOSCI INSTRUM METH JI Geosci. Instrum. Methods Data Syst. PY 2015 VL 4 IS 1 BP 121 EP 137 DI 10.5194/gi-4-121-2015 PG 17 WC Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Geology; Meteorology & Atmospheric Sciences GA CL9HA UT WOS:000357286800013 ER PT J AU Feng, W Wu, JB Li, XL Zheng, W Zhou, X Xiao, K Cao, WW Yang, B Idrobo, JC Basile, L Tian, WQ Tan, PH Hu, PA AF Feng, Wei Wu, Jing-Bin Li, Xiaoli Zheng, Wei Zhou, Xin Xiao, Kai Cao, Wenwu Yang, Bin Idrobo, Juan-Carlos Basile, Leonardo Tian, Weiquan Tan, PingHeng Hu, PingAn TI Ultrahigh photo-responsivity and detectivity in multilayer InSe nanosheets phototransistors with broadband response SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID METAL DICHALCOGENIDE NANOSHEETS; THIN-FILMS; OPTICAL-PROPERTIES; PHOTODETECTORS; LAYERS; POLYCRYSTALLINE; FABRICATION; GRAPHENE; YIELD AB We demonstrate the strategies and principles for the performance improvement of layered semiconductor based photodetectors using multilayer indium selenide (InSe) as the model material. It is discovered that multiple reflection interference at the interfaces in the phototransistor device leads to a thickness-dependent photo-response, which provides a guideline to improve the performance of layered semiconductor based phototransistors. The responsivity and detectivity of InSe nanosheet phototransistor can be adjustable using applied gate voltage. Our InSe nanosheet phototransistor exhibits ultrahigh responsivity and detectivity. An ultrahigh external photo-responsivity of similar to 10(4) A W-1 can be achieved from broad spectra ranging from UV to near infrared wavelength using our InSe nanosheet photodetectors. The detectivity of multilayer InSe devices is similar to 10(12) to 10(13) Jones, which surpasses that of the currently exploited InGaAs photodetectors (10(11) to 10(12) Jones). This research shows that multilayer InSe nanosheets are promising materials for high performance photodetectors. C1 [Feng, Wei; Zheng, Wei; Hu, PingAn] Harbin Inst Technol, Key Lab Microsyst & Microstruct, Minist Educ, Harbin 150080, Peoples R China. [Feng, Wei] Harbin Inst Technol, Sch Mat Sci & Engn, Harbin 150080, Peoples R China. [Wu, Jing-Bin; Li, Xiaoli; Tan, PingHeng] Chinese Acad Sci, Inst Semicond, State Key Lab Super Lattices & Microstruct, Beijing 100083, Peoples R China. [Zhou, Xin; Tian, Weiquan] Harbin Inst Technol, State Key Lab Urban Water Resource & Environm, Harbin 150080, Peoples R China. [Xiao, Kai; Idrobo, Juan-Carlos; Basile, Leonardo] Oak Ridge Natl Lab, Ctr Nano Phase Mat Sci, Oak Ridge, TN 37831 USA. [Cao, Wenwu; Yang, Bin] Harbin Inst Technol, Condensed Matter Sci & Technol Inst, Harbin 150080, Peoples R China. RP Hu, PA (reprint author), Harbin Inst Technol, Key Lab Microsyst & Microstruct, Minist Educ, 2 Yi Kuang St, Harbin 150080, Peoples R China. EM hupa@hit.edu.cn RI TAN, Ping-Heng/D-1137-2009; Feng, Wei/J-5913-2014; Cao, Wenwu/F-6091-2012; Hu, Ping'an/C-1289-2013; OI TAN, Ping-Heng/0000-0001-6575-1516; Cao, Wenwu/0000-0002-2447-1486; Idrobo, Juan Carlos/0000-0001-7483-9034 FU National Natural Science Foundation of China (NSFC) [61172001, 21373068, 11225421, 11434010, 11474277]; National Key Basic Research Program of China (973 Program) [2013CB632900] FX This work is supported by National Natural Science Foundation of China (NSFC, No. 61172001, 21373068, 11225421, 11434010 and 11474277), the National Key Basic Research Program of China (973 Program) under Grant No. 2013CB632900; A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE office of Science User Facility. NR 34 TC 13 Z9 13 U1 7 U2 41 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 EI 2050-7534 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2015 VL 3 IS 27 BP 7022 EP 7028 DI 10.1039/c5tc01208b PG 7 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CM1CC UT WOS:000357416500010 ER PT J AU Carter, NJ Mainz, R Walker, BC Hages, CJ Just, J Klaus, M Schmidt, SS Weber, A Yang, WCD Zander, O Stach, EA Unold, T Agrawal, R AF Carter, Nathaniel J. Mainz, Roland Walker, Bryce C. Hages, Charles J. Just, Justus Klaus, Manuela Schmidt, Sebastian S. Weber, Alfons Yang, Wei-Chang D. Zander, Ole Stach, Eric A. Unold, Thomas Agrawal, Rakesh TI The role of interparticle heterogeneities in the selenization pathway of Cu-Zn-Sn-S nanoparticle thin films: a real-time study SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID SOLAR-CELLS; FORMATION MECHANISM; PHASE-EQUILIBRIA; NANOCRYSTALS; PRECURSORS; DIFFRACTION; CUINSE2; INKS; KINETICS; SYSTEM AB Real-time energy dispersive X-ray diffraction (EDXRD) analysis has been utilized to observe the selenization of Cu-Zn-Sn-S nanoparticle films coated from three nanoparticle populations: Cu- and Sn-rich particles roughly 5 nm in size, Zn-rich nanoparticles ranging from 10 to 20 nm in diameter, and a mixture of both types of nanoparticles (roughly 1 : 1 by mass), which corresponds to a synthesis recipe yielding CZTSSe solar cells with reported total-area efficiencies as high as 7.9%. The EDXRD studies presented herein show that the formation of copper selenide intermediates during the selenization of mixed-particle films can be primarily attributed to the small, Cu- and Sn-rich particles. Moreover, the formation of these copper selenide phases represents the first stage of the CZTSSe grain growth mechanism. The large, Zn-rich particles subsequently contribute their composition to form micrometer-sized CZTSSe grains. These findings enable further development of a previously proposed selenization pathway to account for the roles of interparticle heterogeneities, which in turn provides a valuable guide for future optimization of processes to synthesize high quality CZTSSe absorber layers. C1 [Carter, Nathaniel J.; Walker, Bryce C.; Hages, Charles J.; Agrawal, Rakesh] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47906 USA. [Mainz, Roland; Just, Justus; Klaus, Manuela; Schmidt, Sebastian S.; Weber, Alfons; Zander, Ole; Unold, Thomas] Helmholtz Zentrum Berlin Mat & Energie, D-14109 Berlin, Germany. [Yang, Wei-Chang D.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47906 USA. [Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Agrawal, R (reprint author), Purdue Univ, Sch Chem Engn, W Lafayette, IN 47906 USA. EM agrawalr@purdue.edu RI Hages, Charles/J-6074-2015; Stach, Eric/D-8545-2011; OI Hages, Charles/0000-0003-4054-1218; Stach, Eric/0000-0002-3366-2153; Mainz, Roland/0000-0003-4793-9763 FU NSF Solar Economy IGERT [DGE-0903670]; German Ministry of Education and Research within the project PINET [03SF0358F]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0012704] FX Special thanks go to Jakob Lauche and Guido Wagener for their support during the real-time measurements at BESSY II, and to Kevin Brew for preparing the Mo-coated SLG substrates. This work was funded by the NSF Solar Economy IGERT (award #DGE-0903670). The funding of OZ by the German Ministry of Education and Research within the project PINET (03SF0358F) is gratefully acknowledged. EAS acknowledges support to the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-SC0012704. NR 40 TC 3 Z9 3 U1 1 U2 15 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 2015 VL 3 IS 27 BP 7128 EP 7134 DI 10.1039/c5tc01139f PG 7 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CM1CC UT WOS:000357416500023 ER PT J AU Mehra, S Chan, EM Salleo, A AF Mehra, Saahil Chan, Emory M. Salleo, Alberto TI Modular synthetic design enables precise control of shape and doping in colloidal zinc oxide nanorods SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID ZNO NANOCRYSTALS; QUANTUM RODS; SYRINGE PUMP; NANOWIRES; CDSE; HETEROSTRUCTURES; SEMICONDUCTOR; INTERFACE; EVOLUTION; GROWTH AB Zinc oxide (ZnO) is a wide-band gap II-VI semiconductor with various optoelectronic applications owing to its transparency to visible light and tunable optical/electronic properties achieved by doping. While exquisite morphology control has been demonstrated for colloidal cadmium-chalcogenide II-VI nanocrystals over the past two decades, shape control strategies for solution-grown anisotropic ZnO nanocrystals (<100 nm) are limited in scope - they suffer from large polydispersities and highly branched nanorods. Here, we present a modular synthetic design approach that overcomes many of the synthetic challenges associated with zinc oxide nanorods and enables nearly independent control of morphology and impurity incorporation. Manipulation of alcoholysis reaction kinetics through multiple precursor solution injections and judicious use of phosphonic acid surfactants enables the synthesis of nanorods with highly tunable shapes, lengths (40-200 nm), diameters (6-80 nm), and doping levels (with aluminum - Al3+ - cations). This work will enable further studies on shape-dependent phenomena in colloidal metal oxide nanorods as well as facilitate understanding of doping and plasmonics in anisotropic nanoscale metal oxide systems. C1 [Mehra, Saahil; Salleo, Alberto] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Chan, Emory M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Salleo, A (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM asalleo@stanford.edu RI Foundry, Molecular/G-9968-2014 FU National Science Foundation [DMR1007886]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors gratefully acknowledge Dr. R. Buonsanti, Prof. D. Milliron, A. Bergerud and E. Runnerstrom for helpful discussions and the National Science Foundation (Award No. DMR1007886) for financial support. All experiments were performed as part of the Molecular Foundry User Program, supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 41 TC 6 Z9 6 U1 1 U2 12 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 2015 VL 3 IS 27 BP 7172 EP 7179 DI 10.1039/c5tc01216c PG 8 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CM1CC UT WOS:000357416500028 ER PT S AU Basu, S McCrae, JE Fiorino, ST AF Basu, Santasri McCrae, Jack E. Fiorino, Steven T. BE Turner, MD Kamerman, GW Thomas, LMW Spillar, EJ TI Estimation of the path-averaged atmospheric refractive index structure constant from time-lapse imagery SO LASER RADAR TECHNOLOGY AND APPLICATIONS XX; AND ATMOSPHERIC PROPAGATION XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Radar Technology and Applications XX; and Atmospheric Propagation XII CY APR 21-23, 2015 CL Baltimore, MD SP SPIE DE imaging through turbulence; tilt; turbulence profiling; atmospheric characterization; time-lapse imagery ID GENERALIZED SCIDAR AB A time-lapse imaging experiment was conducted to monitor the effects of the atmosphere over some period of time. A tripod-mounted digital camera captured images of a distant building every minute. Correlation techniques were used to calculate the position shifts between the images. Two factors causing shifts between the images are: atmospheric turbulence, causing the images to move randomly and quickly, plus changes in the average refractive index gradient along the path which cause the images to move vertically, more slowly and perhaps in noticeable correlation with solar heating and other weather conditions. A technique for estimating the path-averaged C-n(2) from the random component of the image motion is presented here. The technique uses a derived set of weighting functions that depend on the size of the imaging aperture and the patch size in the image whose motion is being tracked. Since this technique is phase based, it can be applied to strong turbulence paths where traditional irradiance based techniques suffer from saturation effects. C1 [Basu, Santasri; McCrae, Jack E.; Fiorino, Steven T.] Air Force Inst Technol, Dept Engn Phys, Wright Patterson AFB, OH 45433 USA. [Basu, Santasri; McCrae, Jack E.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37380 USA. RP Basu, S (reprint author), Air Force Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA. EM santasri.basu.ctr.in@afit.edu NR 11 TC 2 Z9 2 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-581-0 J9 PROC SPIE PY 2015 VL 9465 AR 94650T DI 10.1117/12.2177330 PG 9 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0JA UT WOS:000357260200022 ER PT S AU van der Laan, JD Scrymgeour, DA Wright, JB Kemme, SA Dereniak, EL AF van der Laan, J. D. Scrymgeour, D. A. Wright, J. B. Kemme, S. A. Dereniak, E. L. BE Turner, MD Kamerman, GW Thomas, LMW Spillar, EJ TI Increasing persistence through scattering environments by using circularly polarized light SO LASER RADAR TECHNOLOGY AND APPLICATIONS XX; AND ATMOSPHERIC PROPAGATION XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Radar Technology and Applications XX; and Atmospheric Propagation XII CY APR 21-23, 2015 CL Baltimore, MD SP SPIE DE Circular polarization; polarization; scattering; Mie Theory; Monte Carlo; fog; polarimetry ID WAVES AB We present simulation results that show circularly polarized light persists through scattering environments better than linearly polarized light. Specifically, we show persistence is enhanced through many scattering events in an environment with a size parameter representative of advection fog at infrared wavelengths. Utilizing polarization tracking Monte Carlo simulations we show a larger persistence benefit for circular polarization versus linear polarization for both forward and backscattered photons. We show the evolution of the incident polarization states after various scattering events which highlight the mechanism leading to circular polarization's superior persistence. C1 [van der Laan, J. D.; Dereniak, E. L.] Univ Arizona, Coll Opt Sci, Tucson, AZ 85721 USA. [van der Laan, J. D.; Scrymgeour, D. A.; Wright, J. B.; Kemme, S. A.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP van der Laan, JD (reprint author), Univ Arizona, Coll Opt Sci, 1640 E Univ Blvd, Tucson, AZ 85721 USA. EM johvand@sandia.gov RI Scrymgeour, David/C-1981-2008 NR 9 TC 3 Z9 3 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-581-0 J9 PROC SPIE PY 2015 VL 9465 AR 94650U DI 10.1117/12.2177406 PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0JA UT WOS:000357260200023 ER PT J AU Huang, CC Wang, S Pan, LD Liu, ZQ Mccoy, BK Sasaki, Y Ema, K Barois, P Pindak, R AF Huang, C. C. Wang, Shun Pan, LiDong Liu, Z. Q. McCoy, B. K. Sasaki, Yuji Ema, Kenji Barois, P. Pindak, Ron TI Liquid crystal mesophases beyond commensurate four-layer periodicity SO LIQUID CRYSTALS REVIEWS LA English DT Review DE SmC* variant phases; SmC*(d6); resonant X-ray diffraction; null-transmission ellipsometry ID X-RAY-SCATTERING; SMECTIC-C TRANSITION; ALPHA-ASTERISK PHASE; DEVILS STAIRCASE; A TRANSITION; TRICRITICAL BEHAVIOR; OPTICAL REFLECTIVITY; FREESTANDING FILMS; ELECTRIC-FIELD; HEAT-CAPACITY AB For more than one decade, SmC*(d4), SmC*(d3), andSmC*(A) were the only three confirmed commensurate SmC* variant phases with periodicities less than or equal four layers. In 2006, employing ellipsometry and resonant X-ray diffraction (RXRD), our research team first discovered a new liquid crystal mesophase having a six-layer periodicity in one ternary mixture which includes one sulfur-containing compound. From our ellipsometric results, this phase showed antiferroelectric-like optical response. This novel discovery inspired renewed interest to search for liquid crystal mesophases with commensurate periodicities greater than four layers. Soon after, another mesophase having a six-layer structure and showing a ferrielectric-like dielectric response, instead, was uncovered by RXRD measurements on a different binary mixture which has one bromine-containing compound. Meanwhile mesophases having a 5-, 8-, 12- or 15-layer periodicity were reported. However, numerous questions remain to be addressed associated with these unusual reported phases. Theoretical models giving rise to mesophases with periodicities greater than four layers have been developed; but, to date, none of them have provided satisfactory explanations of all the physical phenomena related to the mesophases exhibiting a six-layer structure. Moreover, the question "what is the source of long-range interactions between liquid-like smectic layers, which are responsible for establishing mesophases with long periodicities and mean-field behavior of the smectic-A-smectic-C transition?" remains unanswered for more than three decades. C1 [Huang, C. C.; Wang, Shun; Pan, LiDong] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Wang, Shun] Shanghai Jiao Tong Univ, Key Lab Artificial Struct & Quantum Control, Minist Educ, Dept Phys & Astron, Shanghai 200240, Peoples R China. [Pan, LiDong] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Liu, Z. Q.] St Cloud State Univ, Dept Phys & Astron, St Cloud, MN 56301 USA. [McCoy, B. K.] Azusa Pacific Univ, Dept Math & Phys, Azusa, CA 91702 USA. [Sasaki, Yuji] Hokkaido Univ, Dept Appl Phys, Grad Sch Engn, Sapporo, Hokkaido 0608628, Japan. [Ema, Kenji] Tokyo Inst Technol, Dept Phys, Grad Sch Sci & Engn, Meguro Ku, Tokyo 1528550, Japan. [Barois, P.] Univ Bordeaux, Natl Ctr Sci Res CNRS, CRPP, UPR8641, F-33600 Pessac, France. [Pindak, Ron] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Huang, CC (reprint author), Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. EM huang001@umn.edu RI Shun, Wang/O-6978-2015 OI Shun, Wang/0000-0002-7996-8887 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 85 TC 2 Z9 2 U1 5 U2 13 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 2168-0396 EI 2168-0418 J9 LIQ CRYST REV JI Liq. Cryst. Rev. PY 2015 VL 3 IS 1 BP 58 EP 78 DI 10.1080/21680396.2015.1030462 PG 21 WC Chemistry, Physical; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CM5OF UT WOS:000357736900003 ER PT J AU An, YH Wood, BC Ye, JC Chiang, YM Wang, YM Tang, M Jiang, HQ AF An, Yonghao Wood, Brandon C. Ye, Jianchao Chiang, Yet-Ming Wang, Y. Morris Tang, Ming Jiang, Hanqing TI Mitigating mechanical failure of crystalline silicon electrodes for lithium batteries by morphological design SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID PHASE-FIELD MODEL; ION BATTERIES; ELECTROCHEMICAL LITHIATION; ALKALINE-SOLUTIONS; NANOWIRES; FRACTURE; ANODES; EVOLUTION; DEFORMATION; NANOPILLARS AB Although crystalline silicon (c-Si) anodes promise very high energy densities in Li-ion batteries, their practical use is complicated by amorphization, large volume expansion and severe plastic deformation upon lithium insertion. Recent experiments have revealed the existence of a sharp interface between crystalline Si (c-Si) and the amorphous LixSi alloy during lithiation, which propagates with a velocity that is orientation dependent; the resulting anisotropic swelling generates substantial strain concentrations that initiate cracks even in nanostructured Si. Here we describe a novel strategy to mitigate lithiation-induced fracture by using pristine c-Si structures with engineered anisometric morphologies that are deliberately designed to counteract the anisotropy in the crystalline/amorphous interface velocity. This produces a much more uniform volume expansion, significantly reducing strain concentration. Based on a new, validated methodology that improves previous models of anisotropic swelling of c-Si, we propose optimal morphological designs for c-Si pillars and particles. The advantages of the new morphologies are clearly demonstrated by mesoscale simulations and verified by experiments on engineered c-Si micropillars. The results of this study illustrate that morphological design is effective in improving the fracture resistance of micron-sized Si electrodes, which will facilitate their practical application in next-generation Li-ion batteries. The model and design approach present in this paper also have general implications for the study and mitigation of mechanical failure of electrode materials that undergo large anisotropic volume change upon ion insertion and extraction. C1 [An, Yonghao; Jiang, Hanqing] Arizona State Univ, Sch Engn Matter Transport & Energy, Tempe, AZ 85286 USA. [An, Yonghao; Wood, Brandon C.; Ye, Jianchao; Wang, Y. Morris] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [An, Yonghao; Chiang, Yet-Ming] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Tang, Ming] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA. RP Tang, M (reprint author), Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA. EM mingtang@rice.edu; Hanqing.Jiang@asu.edu RI Wang, Yinmin (Morris)/F-2249-2010; Jiang, Hanqing/B-1810-2008 OI Jiang, Hanqing/0000-0002-1947-4420 FU DOE [DE-SC0002626]; US Department of Energy by LLNL [DE-AC52-07NA27344]; Laboratory Directed Research and Development (LDRD) programs of LLNL [12-ERD-053]; NSF [CMMI-1067947, CMMI-1162619]; Lawrence Scholarship at LLNL FX Y.A. acknowledges financial assistance from the Lawrence Scholarship at LLNL. Y.A., Y.M.C. and M.T. are supported by DOE project number DE-SC0002626. The work of B.W., J.Y. and Y.M.W. was performed under the auspices of the US Department of Energy by LLNL under contract No. DE-AC52-07NA27344, and supported by the Laboratory Directed Research and Development (LDRD) programs of LLNL (12-ERD-053). H.J. acknowledges the support from NSF CMMI-1067947 and CMMI-1162619. The authors will like to thank Dr R.J. Nikolic of LLNL to provide p-type silicon micropillars, and Dr Tae Wook Heo of LLNL for useful discussions. NR 44 TC 3 Z9 3 U1 8 U2 61 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 2015 VL 17 IS 27 BP 17718 EP 17728 DI 10.1039/c5cp01385b PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CM6OX UT WOS:000357809300024 PM 26082019 ER PT J AU Nguyen, TB Bates, KH Crounse, JD Schwantes, RH Zhang, X Kjaergaard, HG Surratt, JD Lin, P Laskin, A Seinfeld, JH Wennberg, PO AF Nguyen, Tran B. Bates, Kelvin H. Crounse, John D. Schwantes, Rebecca H. Zhang, Xuan Kjaergaard, Henrik G. Surratt, Jason D. Lin, Peng Laskin, Alexander Seinfeld, John H. Wennberg, Paul O. TI Mechanism of the hydroxyl radical oxidation of methacryloyl peroxynitrate (MPAN) and its pathway toward secondary organic aerosol formation in the atmosphere SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID SOUTHEASTERN UNITED-STATES; LIQUID PHASE-SEPARATION; OH-INITIATED OXIDATION; NITRIC ANHYDRIDE MPAN; ISOPRENE PHOTOOXIDATION; 2-METHYLGLYCERIC ACID; SOA FORMATION; BIOGENIC COMPOUNDS; MASS-SPECTROMETRY; ALPHA-PINENE AB Methacryloyl peroxynitrate (MPAN), the acyl peroxynitrate of methacrolein, has been suggested to be an important secondary organic aerosol (SOA) precursor from isoprene oxidation. Yet, the mechanism by which MPAN produces SOA through reaction with the hydroxyl radical (OH) is unclear. We systematically evaluate three proposed mechanisms in controlled chamber experiments and provide the first experimental support for the theoretically-predicted lactone formation pathway from the MPAN + OH reaction, producing hydroxymethyl-methyl-a-lactone (HMML). The decomposition of the MPAN-OH adduct yields HMML + NO3 (similar to 75%) and hydroxyacetone + CO + NO3 (similar to 25%), out-competing its reaction with atmospheric oxygen. The production of other proposed SOA precursors, e.g., methacrylic acid epoxide (MAE), from MPAN and methacrolein are negligible (<2%). Furthermore, we show that the beta-alkenyl moiety of MPAN is critical for lactone formation. Alkyl radicals formed cold via H-abstraction by OH do not decompose to HMML, even if they are structurally identical to the MPAN-OH adduct. The SOA formation from HMML, from polyaddition of the lactone to organic compounds at the particle interface or in the condensed phase, is close to unity under dry conditions. However, the SOA yield is sensitive to particle liquid water and solvated ions. In hydrated inorganic particles, HMML reacts primarily with H2O to produce the monomeric 2-methylglyceric acid (2MGA) or with aqueous sulfate and nitrate to produce the associated organosulfate and organonitrate, respectively. 2MGA, a tracer for isoprene SOA, is semivolatile and its accommodation in aerosol water decreases with decreasing pH. Conditions that enhance the production of neutral 2MGA suppress SOA mass from the HMML channel. Considering the liquid water content and pH ranges of ambient particles, 2MGA will exist largely as a gaseous compound in some parts of the atmosphere. C1 [Nguyen, Tran B.; Crounse, John D.; Schwantes, Rebecca H.; Zhang, Xuan; Wennberg, Paul O.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. [Bates, Kelvin H.; Seinfeld, John H.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Kjaergaard, Henrik G.] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark. [Surratt, Jason D.] Univ N Carolina, Dept Environm Sci & Engn, Chapel Hill, NC USA. [Lin, Peng; Laskin, Alexander] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Seinfeld, John H.; Wennberg, Paul O.] CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA. RP Nguyen, TB (reprint author), CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. EM tbn@caltech.edu RI Surratt, Jason/D-3611-2009; Kjaergaard, Henrik /H-4333-2014; Lin, Peng/G-4867-2016; Laskin, Alexander/I-2574-2012; Crounse, John/C-3700-2014 OI Surratt, Jason/0000-0002-6833-1450; Kjaergaard, Henrik /0000-0002-7275-8297; Lin, Peng/0000-0002-3567-7017; Laskin, Alexander/0000-0002-7836-8417; Crounse, John/0000-0001-5443-729X FU U.S. National Science Foundation (NSF) Division of Atmospheric and Geospace Sciences (AGS) [AGS-1240604]; U.S. Department of Energy (DOE) [DE-SC0006626]; NSF postdoctoral research fellowship (PRF) [AGS-1331360]; DOE's Office of Biological and Environmental Research and located at PNNL; DOE [DE-AC06-76RL0 1830] FX We acknowledge funding from the U.S. National Science Foundation (NSF) Division of Atmospheric and Geospace Sciences (AGS) grant AGS-1240604 and the U.S. Department of Energy (DOE) grant DE-SC0006626. TBN is supported by the NSF postdoctoral research fellowship (PRF) award AGS-1331360. We thank Dr. Dennis Fitz (UC Riverside) for assistance with the Fitz Aerometric NO2/APN instrument, Matthew Coggon (Caltech) for AMS data collection and processing, Dr. Nathan F. Dalleska (Caltech Global Environmental Center) for help with the HR-MS analysis software and for use of the pH probe, and Dr. Avram Gold and Dr. Zhenfa Zhang (University of North Carolina) for assistance in synthesizing MAE. The HPLC-UV/Vis-ESI/HRMS analysis was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL. PNNL is operated for the DOE by Battelle Memorial Institute under contract #DE-AC06-76RL0 1830. NR 73 TC 14 Z9 15 U1 23 U2 95 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 2015 VL 17 IS 27 BP 17914 EP 17926 DI 10.1039/c5cp02001h PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CM6OX UT WOS:000357809300048 PM 26095764 ER PT J AU Popov, I Greenbaum, A Sokolov, AP Feldman, Y AF Popov, Ivan Greenbaum (Gutina), Anna Sokolov, Alexei P. Feldman, Yuri TI The puzzling first-order phase transition in water-glycerol mixtures SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID LIQUID-LIQUID TRANSITION; GLASSY WATER; RELAXATION DYNAMICS; AQUEOUS-SOLUTIONS; RICH MIXTURES; BEHAVIOR; ICE AB Over the last decade, discussions on a possible liquid-liquid transition (LLT) have strongly intensified. The LLT proposed by several authors focused mostly on explaining the anomalous properties of water in a deeply supercooled state. However, there have been no direct experimental observations yet of LLT in bulk water in the so-called 'no man's land', where water exists only in the crystalline states. Recently, a novel experimental strategy to detect LLT in water has been employed using water-glycerol (W-G) mixtures, because glycerol can generate a strong hindrance for water crystallization. As a result, the observed first-order phase transition at a concentration of glycerol around c(g) approximate to 20 mol% was ascribed to the LLT. Here we show unambiguously that the first order phase transition in W-G mixtures is caused by the ice formation. We provide additional dielectric measurements, applying specific annealing temperature protocols in order to reinforce this conclusion. We also provide an explanation, why such a phase transition occurs only in the narrow glycerol concentration range. These results clearly demonstrate the danger of analysis of phase-separating liquids to gain better insights into water dynamics. These liquids have complex phase behavior that is affected by temperature, phase stability and segregation, viscosity and nucleation, and finally by crystallization, that might lead to significant misinterpretations. C1 [Popov, Ivan; Greenbaum (Gutina), Anna; Feldman, Yuri] Hebrew Univ Jerusalem, Dept Appl Phys, IL-91904 Jerusalem, Israel. [Popov, Ivan] Kazan Volga Reg Fed Univ, Inst Phys, Kazan 420008, Tatarstan, Russia. [Sokolov, Alexei P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Sokolov, Alexei P.] Univ Tennessee, Joint Inst Neutron Sci, Knoxville, TN 37996 USA. [Sokolov, Alexei P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Feldman, Y (reprint author), Hebrew Univ Jerusalem, Dept Appl Phys, Edmond J Safra Campus, IL-91904 Jerusalem, Israel. EM yurif@mail.huji.ac.il FU Valazzi-Pikovsky Fellowship (Lady Davis Fellowship); Russian Government Program of Competitive Growth of Kazan Federal University; NSF Chemistry program [CHE-1213444] FX The authors are grateful to Prof. H. Tanaka for initiation of this work and comprehensive discussions. The work was supported by the Valazzi-Pikovsky Fellowship (Lady Davis Fellowship). The work was partly supported by the Russian Government Program of Competitive Growth of Kazan Federal University. APS thanks the NSF Chemistry program (grant CHE-1213444) for partial financial support. NR 31 TC 7 Z9 7 U1 0 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2015 VL 17 IS 27 BP 18063 EP 18071 DI 10.1039/c5cp02851e PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CM6OX UT WOS:000357809300065 PM 26100246 ER PT S AU Pogorelsky, IV Ben-Zvi, I Skaritka, J Babzien, M Polyanskiy, MN Dover, N Najmudin, Z Lu, W AF Pogorelsky, Igor V. Ben-Zvi, Ilan Skaritka, John Babzien, Markus Polyanskiy, Mikhail N. Dover, Nicholas Najmudin, Zulfikar Lu, Wei BE Jaroszynski, DA TI New opportunities for strong-field LPI research in the mid-IR SO RELATIVISTIC PLASMA WAVES AND PARTICLE BEAMS AS COHERENT AND INCOHERENT RADIATION SOURCES SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Relativistic Plasma Waves and Particle Beams as Coherent and Incoherent Radiation Sources CY APR 15-16, 2015 CL Prague, CZECH REPUBLIC SP SPIE DE CO2 laser; ion acceleration; laser wake field; electron beams; Compton scattering; THz radiation ID HIGH-INTENSITY LASER; PULSE AMPLIFICATION; X-RAYS; DRIVEN; ACCELERATION; GENERATION; RADIATION; CONTRAST; BEAMS AB Over the last two decades, BNL's ATF has pioneered the use of high-peak power CO2 lasers for research in advanced accelerators and radiation sources. Our recent developments in ion acceleration, Compton scattering, and IFELs have further underscored the benefits from expanding the landscape of strong-field laser interactions deeper into the mid-infrared (MIR) range of wavelengths. This extension validates our ongoing efforts in advancing CO2 laser technology, which we report here. Our next-generation, multi-terawatt, femtosecond CO2 laser will open new opportunities for studying ultra-relativistic laser interactions with plasma in the MIR spectral domain. We will address new regimes in the particle acceleration of ions and electrons, as well as the radiations sources, ranging from THz to gamma-rays, that are enabled by the emerging ultra-fast CO2 lasers. C1 [Pogorelsky, Igor V.; Ben-Zvi, Ilan; Skaritka, John; Babzien, Markus; Polyanskiy, Mikhail N.] Brookhaven Natl Lab, Accelerator Tests Facil, Upton, NY 11973 USA. [Dover, Nicholas; Najmudin, Zulfikar] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England. [Lu, Wei] Tsinghua Univ, Accelerator Lab, Beijing 100080, Peoples R China. RP Pogorelsky, IV (reprint author), Brookhaven Natl Lab, Accelerator Tests Facil, Upton, NY 11973 USA. RI Polyanskiy, Mikhail/E-8406-2010; Lu, Wei/F-2504-2016 NR 30 TC 1 Z9 1 U1 1 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-630-5 J9 PROC SPIE PY 2015 VL 9509 AR 95090P DI 10.1117/12.2182005 PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0SG UT WOS:000357641000010 ER PT J AU Benzi, M Klymko, C AF Benzi, Michele Klymko, Christine TI ON THE LIMITING BEHAVIOR OF PARAMETER-DEPENDENT NETWORK CENTRALITY MEASURES SO SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS LA English DT Article DE centrality; communicability; adjacency matrix; spectral gap; matrix functions; network analysis; PageRank ID COMPLEX NETWORKS; GAUSS QUADRATURE; MATRIX FUNCTIONS; LINK ANALYSIS; BETWEENNESS; AUTHORITIES; PAGERANK; HUBS AB We consider a broad class of walk-based, parameterized node centrality measures for network analysis. These measures are expressed in terms of functions of the adjacency matrix and generalize various well-known centrality indices, including Katz and subgraph centralities. We show that the parameter can be "tuned" to interpolate between degree and eigenvector centralities, which appear as limiting cases. Our analysis helps explain certain correlations often observed between the rankings obtained using different centrality measures and provides some guidance for the tuning of parameters. We also highlight the roles played by the spectral gap of the adjacency matrix and by the number of triangles in the network. Our analysis covers both undirected and directed networks, including weighted ones. A brief discussion of PageRank is also given. C1 [Benzi, Michele] Emory Univ, Dept Math & Comp Sci, Atlanta, GA 30322 USA. [Klymko, Christine] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. RP Benzi, M (reprint author), Emory Univ, Dept Math & Comp Sci, Atlanta, GA 30322 USA. EM benzi@mathcs.emory.edu; klymko1@llnl.gov FU National Science Foundation [DMS-1115692, DMS-1418889]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The work of this author was supported by National Science Foundation grants DMS-1115692 and DMS-1418889.; The work of this author was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. NR 53 TC 13 Z9 13 U1 0 U2 8 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 0895-4798 EI 1095-7162 J9 SIAM J MATRIX ANAL A JI SIAM J. Matrix Anal. Appl. PY 2015 VL 36 IS 2 BP 686 EP 706 DI 10.1137/130950550 PG 21 WC Mathematics, Applied SC Mathematics GA CM0YY UT WOS:000357407800017 ER PT S AU Flenner, A Culp, M Mcgee, R Flenner, J Garcia-Cardona, C AF Flenner, Arjuna Culp, Michael McGee, Ryan Flenner, Jennifer Garcia-Cardona, Cristina BE Kadar, I TI Learning representations for improved target identification, scene classification, and information fusion SO SIGNAL PROCESSING, SENSOR/INFORMATION FUSION, AND TARGET RECOGNITION XXIV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Signal Processing, Sensor/Information Fusion, and Target Recognition XXIV CY APR 20-22, 2015 CL Baltimore, MD SP SPIE DE ATR; Non-parametric Bayes; Information Integration; Graphs; Factor Analysis ID DIFFUSE INTERFACE METHODS; HIGH-DIMENSIONAL DATA; DIRICHLET PROCESS; SEGMENTATION; DICTIONARIES; REGRESSION; GRAPHS AB Object representation is fundamental to Automated Target Recognition (ATR). Many ATR approaches choose a basis, such as a wavelet or Fourier basis, to represent the target. Recently, advancements in Image and Signal processing have shown that object recognition can be improved if, rather than a assuming a basis, a database of training examples is used to learn a representation. We discuss learning representations using Non-parametric Bayesian topic models, and demonstrate how to integrate information from other sources to improve ATR. We apply the method to EO and IR information integration for vehicle target identification and show that the learned representation of the joint EO and IR information improves target identification by 4%. Furthermore, we demonstrate that we can integrate text and imagery data to direct the representation for mission specific tasks and improve performance by 8%. Finally, we illustrate integrating graphical models into representation learning to improve performance by 2%. C1 [Flenner, Arjuna; Culp, Michael; McGee, Ryan; Flenner, Jennifer] NAVAIR, China Lake, CA 93555 USA. [Garcia-Cardona, Cristina] Los Alamos Natl Lab, Los Alamos, NM USA. RP Flenner, A (reprint author), NAVAIR, 1900 N Knox Rd, China Lake, CA 93555 USA. EM arjuna.flenner@navy.mil NR 59 TC 0 Z9 0 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-590-2 J9 PROC SPIE PY 2015 VL 9474 AR 94740W DI 10.1117/12.2176348 PG 16 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AD UT WOS:000357014700038 ER PT S AU Sha, M Gunatilaka, D Wu, CJ Lu, CY AF Sha, Mo Gunatilaka, Dolvara Wu, Chengjie Lu, Chenyang BE Abdelzaher, T Pereira, N Tovar, E TI Implementation and Experimentation of Industrial Wireless Sensor-Actuator Network Protocols SO WIRELESS SENSOR NETWORKS (EWSN 2015) SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 12th European Conference on Wireless Sensor Networks (EWSN) CY FEB 09-11, 2015 CL Porto, PORTUGAL AB Wireless sensor-actuator networks (WSANs) offer an appealing communication technology for process automation applications. However, such networks pose unique challenges due to their critical demands on reliability and real-time performance. While industrial WSANs have received attention in the research community, most published results to date focused on the theoretical aspects and were evaluated based on simulations. There is a critical need for experimental research on this important class of WSANs. We developed an experimental testbed by implementing several key network protocols of WirelessHART, an open standard for WSANs widely adopted in the process industries, including multi-channel TDMA with shared slots at the MAC layer and reliable graph routing supporting path redundancy. We then performed a comparative study of the two alternative routing approaches adopted by WirelessHART, namely source routing and graph routing. Our study shows that graph routing leads to significant improvement over source routing in term of worst-case reliability, at the cost of longer latency and higher energy consumption. It is therefore important to employ graph routing algorithms specifically designed to optimize latency and energy efficiency. C1 [Sha, Mo; Gunatilaka, Dolvara; Wu, Chengjie; Lu, Chenyang] Washington Univ, Cyber Phys Syst Lab, St Louis, MO 63130 USA. [Sha, Mo] Natl Renewable Energy Lab, Golden, CO USA. RP Sha, M (reprint author), Washington Univ, Cyber Phys Syst Lab, St Louis, MO 63130 USA. NR 13 TC 3 Z9 3 U1 0 U2 3 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-319-15582-1; 978-3-319-15581-4 J9 LECT NOTES COMPUT SC PY 2015 VL 8965 BP 234 EP 241 PG 8 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA BD0ST UT WOS:000357677300015 ER PT S AU Grosklos, G Theiler, J AF Grosklos, Guen Theiler, James BE VelezReyes, M Kruse, FA TI Ellipsoids for Anomaly Detection in Remote Sensing Imagery SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND ULTRASPECTRAL IMAGERY XXI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XXI CY APR 21-23, 2015 CL Baltimore, MD SP SPIE DE Anomaly Detection; Multispectral Imagery; Hyperspectral Imagery; Background Estimation; Low False Alarm Rate ID COVARIANCE-MATRIX ESTIMATION; HYPERSPECTRAL IMAGING DATA; MODEL AB For many target and anomaly detection algorithms, a key step is the estimation of a centroid (relatively easy) and a covariance matrix (somewhat harder) that characterize the background clutter. For a background that can be modeled as a multivariate Gaussian, the centroid and covariance lead to an explicit probability density function that can be used in likelihood ratio tests for optimal detection statistics. But ellipsoidal contours can characterize a much larger class of multivariate density function, and the ellipsoids that characterize the outer periphery of the distribution are most appropriate for detection in the low false alarm rate regime. Traditionally the sample mean and sample covariance are used to estimate ellipsoid location and shape, but these quantities are confounded both by large lever-arm outliers and non-Gaussian distributions within the ellipsoid of interest. This paper compares a variety of centroid and covariance estimation schemes with the aim of characterizing the periphery of the background distribution. In particular, we will consider a robust variant of the Khachiyan algorithm for minimum-volume enclosing ellipsoid. The performance of these different approaches is evaluated on multispectral and hyperspectral remote sensing imagery using coverage plots of ellipsoid volume versus false alarm rate. C1 [Grosklos, Guen; Theiler, James] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RP Grosklos, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 38 TC 1 Z9 1 U1 2 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-588-9 J9 PROC SPIE PY 2015 VL 9472 AR UNSP 94720P DI 10.1117/12.2177061 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0DU UT WOS:000357086800024 ER PT S AU Theiler, J AF Theiler, James BE VelezReyes, M Kruse, FA TI Symmetrized Regression for Hyperspectral Background Estimation SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND ULTRASPECTRAL IMAGERY XXI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XXI CY APR 21-23, 2015 CL Baltimore, MD SP SPIE DE Background estimation; Target Detection; Anomaly Detection; Hyperspectral imagery ID TARGETS AB We can improve the detection of targets and anomalies in a cluttered background by more effectively estimating that background. With a good estimate of what the target-free radiance or reflectance ought to be at a pixel, we have a point of comparison with what the measured value of that pixel actually happens to be. It is common to make this estimate using the mean of pixels in an annulus around the pixel of interest. But there is more information in the annulus than this mean value, and one can derive more general estimators than just the mean. The derivation pursued here is based on multivariate regression of the central pixel against the pixels in the surrounding annulus. This can be done on a band-by-band basis, or with multiple bands simultaneously. For overhead remote sensing imagery with square pixels, there is a natural eight-fold symmetry in the surrounding annulus, corresponding to reflection and right angle rotation. We can use this symmetry to impose constraints on the estimator function, and we can use these constraints to reduce the number or regressor variables in the problem. This paper investigates the utility of regression generally - and a variety of different symmetric regression schemes particularly - for hyperspectral background estimation in the context of generic target detection. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Theiler, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 38 TC 2 Z9 2 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-588-9 J9 PROC SPIE PY 2015 VL 9472 AR 94721G DI 10.1117/12.2177271 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0DU UT WOS:000357086800045 ER PT S AU Miller, J Bishop, E Doerry, A Raynal, AM AF Miller, J. Bishop, E. Doerry, A. Raynal, A. M. BE Zelnio, E Garber, FD TI Impact of Ground Mover Motion and Windowing on Stationary and Moving Shadows in Synthetic Aperture Radar Imagery SO ALGORITHMS FOR SYNTHETIC APERTURE RADAR IMAGERY XXII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Algorithms for Synthetic Aperture Radar Imagery XXII CY APR 23, 2015 CL Baltimore, MD SP SPIE DE Shadow detection; Synthetic Aperture Radar; SAR; Video SAR; Ground mover motion; Windowing; Motion frame imagery AB This paper describes the impact of ground mover motion and windowing on stationary and moving shadows in Synthetic Aperture Radar (SAR) and video SAR mode imagery. The technique provides a foundation for optimizing algorithms that detect ground movers in SAR imagery. The video SAR mode provides a persistent view of a scene centered at the Motion Compensation Point (MCP). The radar platform follows a circular flight path. Detecting a stationary shadow in a SAR image is important because the shadow indicates a detection of an object with a height component near the shadow. Similarly, the detection of a shadow that moves from frame to frame indicates the detection of a ground mover at the location of the moving shadow. An approach analyzes the impact of windowing in calculating the brightness of a pixel in a stationary, finite-sized shadow region. An extension of the approach describes the pixel brightness for a moving shadow as a function of its velocity. The pixel brightness provides an upper bound on the Probability of Detection (PD) and a lower bound on the Probability of False Alarm (PFA) for a finite-sized, stationary or moving shadow in the presence of homogeneous, ideal clutter. Synthetic data provides shadow characteristics for a radar scenario that lend themselves for detecting a ground mover. The paper presents 2011-2014 flight data collected by General Atomics Aeronautical Systems, Inc. (GA-ASI). C1 [Miller, J.; Bishop, E.] Gen Atom Aeronaut Syst Inc, San Diego, CA 92127 USA. [Doerry, A.; Raynal, A. M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Miller, J (reprint author), Gen Atom Aeronaut Syst Inc, 16761 Via Del Campo Ct, San Diego, CA 92127 USA. NR 9 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-591-9 J9 PROC SPIE PY 2015 VL 9475 AR 94750C DI 10.1117/12.2179173 PG 18 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BC9TD UT WOS:000356858900008 ER PT J AU Ramadhar, TR Zheng, SL Chen, YS Clardy, J AF Ramadhar, Timothy R. Zheng, Shao-Liang Chen, Yu-Sheng Clardy, Jon TI The crystalline sponge method: MOF terminal ligand effects SO CHEMICAL COMMUNICATIONS LA English DT Article ID X-RAY-ANALYSIS; POROUS COMPLEXES; CRYSTALLOGRAPHY AB Bromide and chloride analogs of the commonly used zinc iodide-based metal organic framework for the crystalline sponge method were synthesized and evaluated. Inclusion of (1R)-(-)- menthyl acetate into these MOFs was analysed using third-generation synchrotron radiation, and the effects and potential benefits of varying the MOF terminal ligand are discussed. C1 [Ramadhar, Timothy R.; Clardy, Jon] Harvard Univ, Sch Med, Dept Biol Chem & Mol Pharmacol, Boston, MA 02115 USA. [Zheng, Shao-Liang] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA. [Chen, Yu-Sheng] Univ Chicago, ChemMatCARS, Ctr Adv Radiat Sources, Argonne Natl Lab,Adv Photon Source, Argonne, IL 60439 USA. RP Clardy, J (reprint author), Harvard Univ, Sch Med, Dept Biol Chem & Mol Pharmacol, 240 Longwood Ave, Boston, MA 02115 USA. EM jon_clardy@hms.harvard.edu OI Ramadhar, Timothy/0000-0002-7063-5445 FU US National Institutes of Health [U19-AI109673, F32-GM108415]; Division of Chemistry (CHE), National Science Foundation [NSF/CHE-1346572]; Division of Materials Research (DMR), National Science Foundation [NSF/CHE-1346572]; US DOE [DE-AC02-06CH11357] FX We are grateful for financial support through the US National Institutes of Health (U19-AI109673 to J.C. and F32-GM108415 to T.R.R.). ChemMatCARS Sector 15 is principally supported by the Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation, under grant number NSF/CHE-1346572. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357. NR 22 TC 21 Z9 21 U1 7 U2 51 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 56 BP 11252 EP 11255 DI 10.1039/c5cc03840e PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CL7SX UT WOS:000357173100025 PM 26081991 ER PT J AU Cole, JM Yeung, KYM Pace, G Sylvester, SO Mersch, D Friend, RH AF Cole, J. M. Yeung, K. Y. M. Pace, G. Sylvester, S. O. Mersch, D. Friend, R. H. TI In situ synthesis, crystallisation, and thin-film processing of single crystals of trans-[Ru(SO2)(NH3)(4)(H2O)][p-TolSO(3)](2) bearing SO2 linkage photo-isomers: towards optical device applications SO CRYSTENGCOMM LA English DT Article ID METASTABLE ELECTRONIC STATES; SULFUR-DIOXIDE COMPLEXES; NANOMECHANICAL TRANSDUCTION; INFORMATION-STORAGE; PHOTOCRYSTALLOGRAPHY; PHOTOISOMERS; DIFFRACTION; ROTORS AB Metastable sulfur dioxide linkage photo-isomers can be generated in a family of ruthenium tetraamminebased complexes in their single-crystal form; this imparts them with attractive prospects as holographic data storage media (dark state = 0; photo-isomer state = 1). Embedding these optically encoded single crystals into thin-film technology via a polymer host should present one possible option for their ultimate device application. Crystals of trans-[Ru(SO2)(NH3)(4)(H2O)][p-TolSO(3)](2)([Ru]-SO2) were incorporated into a polyvinyl alcohol (PVA) matrix, by in situ synthesis of [Ru]-SO2 from the reaction of trans-[Ru(SO2)(NH3)(4)Cl]Cl and p-tolunesulfonic acid (p-TA) in the PVA matrix, and an associated in situ precipitating crystallisation. Transmission electron microscopy and diffraction on the resulting drop-cast thin films identified these [Ru]-SO2 precipitates and their crystallinity; low-temperature solid-state UV-vis absorption spectroscopy confirmed that the desired SO2 photo-isomerisation in [Ru]-SO2 was uncompromised by its inclusion in thin films. The size and distribution of the embedded crystals were optimised by spin coating thin films of various in situ crystallised precipitates of [Ru]-SO2 that emanated from chemical reaction mixtures of trans-[Ru(SO2)(NH3)(4)Cl]Cl/p-TA/ PVA. Results demonstrate the viability of the inclusion of single crystals of [Ru]-SO2 in thin films for optical device applications. C1 [Cole, J. M.; Yeung, K. Y. M.; Pace, G.; Sylvester, S. O.; Mersch, D.; Friend, R. H.] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Cole, J. M.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Cole, JM (reprint author), Univ Cambridge, Cavendish Lab, JJ Thomson Ave, Cambridge CB3 0HE, England. EM jmc61@cam.ac.uk RI Cole, Jacqueline/C-5991-2008 FU Argonne National Laboratory (Argonne, IL, USA); DOE Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Cambridge Commonwealth Trust; EPSRC Cambridge NanoDTC [EP/G037221/1] FX J. M. C. thanks the Fulbright Commission for a UK-US Fulbright Scholar Award hosted by Argonne National Laboratory (Argonne, IL, USA), where work done was supported by DOE Office of Science, Office of Basic Energy Sciences, under Contract no. DE-AC02-06CH11357. S. O. S. acknowledges the Cambridge Commonwealth Trust for a PhD scholarship. This work was also supported by the EPSRC Cambridge NanoDTC, EP/G037221/1 (for D.M.). The authors are grateful to Dr. Anthony E. Phillips, formerly of the Cavendish Laboratory, for providing a starting material for one of the experiments; and to John J. Rickard from the electron microscopy facility at the same laboratory, for technical assistance. NR 22 TC 1 Z9 1 U1 1 U2 17 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 2015 VL 17 IS 27 BP 5026 EP 5031 DI 10.1039/c5ce00685f PG 6 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CM2NL UT WOS:000357517400009 ER PT S AU Albert, F Pollock, BB Shaw, J Marsh, KA Ralph, JE Pak, A Clayton, CE Glenzer, SH Joshi, C AF Albert, F. Pollock, B. B. Shaw, J. Marsh, K. A. Ralph, J. E. Pak, A. Clayton, C. E. Glenzer, S. H. Joshi, C. BE Ledingham, KWD Esarey, E Spohr, K Schroeder, CB McKenna, P Gruner, FJ Bolton, PR TI Betatron radiation from laser plasma accelerators SO LASER ACCELERATION OF ELECTRONS, PROTONS, AND IONS III; AND MEDICAL APPLICATIONS OF LASER-GENERATED BEAMS OF PARTICLES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Acceleration of Electrons, Protons, and Ions III and Medical Applications of Laser-Generated Beams of Particles III CY APR 13-15, 2015 CL Prague, CZECH REPUBLIC SP SPIE DE Betatron x-ray radiation; Laser-wakefield acceleration; laser-plasma interaction ID RAY THOMSON SCATTERING; WAKEFIELD ACCELERATOR; ELECTRON-BEAMS AB We present recent experiments on the characterization of Betatron radiation in the blowout regime of laser-wakefield acceleration. We observed Betatron x-rays up to 80 keV, and the characterization of the angular dependence of the x-ray spectrum suggests anisotropic electron trajectories in the plasma. The characterization of the source opens up new possibilities for application experiments. C1 [Albert, F.; Pollock, B. B.; Ralph, J. E.; Pak, A.] Lawrence Livermore Natl Lab, NIF & Photon Sci, Livermore, CA 94550 USA. [Shaw, J.; Marsh, K. A.; Clayton, C. E.; Joshi, C.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [Glenzer, S. H.] Stanford Linear Accelerator Ctr, Natl Accelerator Ctr, Stanford, CA 94309 USA. RP Albert, F (reprint author), Lawrence Livermore Natl Lab, NIF & Photon Sci, 700 East Ave, Livermore, CA 94550 USA. EM albert6@llnl.gov RI Albert, Felicie/G-2645-2013 NR 37 TC 0 Z9 0 U1 1 U2 14 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-635-0 J9 PROC SPIE PY 2015 VL 9514 AR 95140X DI 10.1117/12.2178685 PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AK UT WOS:000357019800011 ER PT S AU Bulanov, SS Esarey, E Schroeder, CB Bulanov, SV Esirkepov, TZ Kando, M Pegoraro, F Leemans, WP AF Bulanov, S. S. Esarey, E. Schroeder, C. B. Bulanov, S. V. Esirkepov, T. Zh. Kando, M. Pegoraro, F. Leemans, W. P. BE Ledingham, KWD Esarey, E Spohr, K Schroeder, CB McKenna, P Gruner, FJ Bolton, PR TI Maximum attainable ion energy in the radiation pressure acceleration regime. SO LASER ACCELERATION OF ELECTRONS, PROTONS, AND IONS III; AND MEDICAL APPLICATIONS OF LASER-GENERATED BEAMS OF PARTICLES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Acceleration of Electrons, Protons, and Ions III and Medical Applications of Laser-Generated Beams of Particles III CY APR 13-15, 2015 CL Prague, CZECH REPUBLIC SP SPIE ID INTENSE LASER-PULSES; ULTRA-INTENSE; UNDERDENSE PLASMA; FAST IGNITION; PROTON-BEAMS; GENERATION; ELECTRODYNAMICS; PHYSICS AB The laser group velocity plays a crucial role in laser driven acceleration of electrons and ions. In particular, a highly efficient mechanism of laser driven ion acceleration, Radiation Pressure Acceleration, has a fundamental limit on the maximum attainable ion energy, which is determined by the group velocity of the laser. However there is another limiting factor that may shed the group velocity effects. It is due to the transverse expansion of the target, which happens in the course of a tightly focused laser pulse interaction with a thin foil. Transversely expanding targets become increasingly transparent for radiation thus terminating the acceleration. Utilization of an external guiding structure for the accelerating laser pulse may provide a way of compensating for the group velocity and transverse expansion effects. C1 [Bulanov, S. S.; Esarey, E.; Schroeder, C. B.; Leemans, W. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bulanov, S. V.; Esirkepov, T. Zh.; Kando, M.] JAEA, Kansai Photon Sci Inst, Kyoto 6190215, Japan. [Bulanov, S. V.] Russian Acad Sci, Prokhorov Inst Gen Phys, Moscow 119991, Russia. [Bulanov, S. V.] Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Moscow Region, Russia. [Pegoraro, F.] Univ Pisa, Dept Phys, I-56127 Pisa, Italy. [Pegoraro, F.] CNR, Ist Nazl Ott, I-56127 Pisa, Italy. RP Bulanov, SS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. OI Schroeder, Carl/0000-0002-9610-0166 NR 58 TC 0 Z9 0 U1 0 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-635-0 J9 PROC SPIE PY 2015 VL 9514 AR 95140G DI 10.1117/12.2182207 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AK UT WOS:000357019800006 ER PT S AU Chen, YH Helle, MH Ting, A Gordon, DF Polyanskiy, MN Pogorelsky, I Babzien, M Najmudin, Z AF Chen, Y. -H. Helle, M. H. Ting, A. Gordon, D. F. Polyanskiy, M. N. Pogorelsky, I. Babzien, M. Najmudin, Z. BE Ledingham, KWD Esarey, E Spohr, K Schroeder, CB McKenna, P Gruner, FJ Bolton, PR TI Observation of monoenergetic protons from a near-critical gas target tailored by a hydrodynamic shock SO LASER ACCELERATION OF ELECTRONS, PROTONS, AND IONS III; AND MEDICAL APPLICATIONS OF LASER-GENERATED BEAMS OF PARTICLES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Acceleration of Electrons, Protons, and Ions III and Medical Applications of Laser-Generated Beams of Particles III CY APR 13-15, 2015 CL Prague, CZECH REPUBLIC SP SPIE DE laser acceleration of protons; ion acceleration; shock wave acceleration; laser hole boring; CO2 lasers; near-critical plasmas ID ION-ACCELERATION; BEAMS AB We present our recent experimental results of monoenergetic protons accelerated from the interaction of an intense terawatt CO2 laser pulse with a near-critical hydrogen gas target, with its density profile tailored by a hydrodynamic shock. A 5-ns Nd: YAG laser pulse is focused onto a piece of stainless steel foil mounted at the front edge of the gas jet nozzle orifice. The ablation launches a spherical shock into the near-critical gas column, which creates a sharp density gradient at the front edge of the target, with similar to 6X local density enhancement up to several times of critical density within similar to< 100 microns. With such density profile, we have obtained monoenergetic proton beams with good shot-to-shot reproducibility and energies up to 1.2 MeV. C1 [Chen, Y. -H.; Helle, M. H.; Ting, A.; Gordon, D. F.] Naval Res Lab, Plasma Phys Div, Washington, DC 20375 USA. [Polyanskiy, M. N.; Pogorelsky, I.; Babzien, M.] Brookhaven Natl Lab, Accelerator Test Facil, Upton, NY 11973 USA. [Najmudin, Z.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England. RP Chen, YH (reprint author), Naval Res Lab, Plasma Phys Div, Washington, DC 20375 USA. EM yu-hsin.chen.ctr@nrl.navy.mil RI Chen, Yu-hsin/I-3400-2012; Polyanskiy, Mikhail/E-8406-2010 OI Chen, Yu-hsin/0000-0002-9603-7371; NR 11 TC 1 Z9 1 U1 2 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-635-0 J9 PROC SPIE PY 2015 VL 9514 AR 95140C DI 10.1117/12.2182094 PG 6 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AK UT WOS:000357019800005 ER PT S AU Desforges, FG Paradkar, BS Hansson, M Audet, TL Ju, J Gallardo-Gonzalez, I Aurand, B Lee, P Senje, L Persson, A Dufrenoy, SD Lundh, O Maynard, G Monot, P Vay, JL Wahlstrom, CG Cros, B AF Desforges, F. G. Paradkar, B. S. Hansson, M. Audet, T. L. Ju, J. Gallardo-Gonzalez, I. Aurand, B. Lee, P. Senje, L. Persson, A. Dufrenoy, S. Dobosz Lundh, O. Maynard, G. Monot, P. Vay, J. L. Wahlstrom, C. -G. Cros, B. BE Ledingham, KWD Esarey, E Spohr, K Schroeder, CB McKenna, P Gruner, FJ Bolton, PR TI Analysis of Electron Injection in Laser Wakefield Acceleration Using Betatron Emission in Capillary Tubes SO LASER ACCELERATION OF ELECTRONS, PROTONS, AND IONS III; AND MEDICAL APPLICATIONS OF LASER-GENERATED BEAMS OF PARTICLES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Acceleration of Electrons, Protons, and Ions III and Medical Applications of Laser-Generated Beams of Particles III CY APR 13-15, 2015 CL Prague, CZECH REPUBLIC SP SPIE DE Laser-wakefield acceleration; betatron radiation; self-injection; ionization-induced injection ID WAKE-FIELD ACCELERATION; BEAMS; IONIZATION; CHANNEL; WAVE AB The dynamics of ionization-induced electron injection in the high density (similar to 1.2 x 10(19)cm(-3)) regime of Laser Wakefield Acceleration (LWFA) was investigated by analyzing betatron X-ray emission inside dielectric capillary tubes. A comparative study of the electron and betatron X-ray properties was performed for both self-injection and ionization-induced injection. Direct experimental evidence of early onset of ionization-induced injection into the plasma wave was obtained by mapping the X-ray emission zone inside the plasma. Particle-In-Cell (PIC) simulations showed that the early onset of ionization-induced injection, due to its lower trapping threshold, suppresses self-injection of electrons. An increase of X-ray fluence by at least a factor of two was observed in the case of ionization-induced injection due to an increased trapped charge compared to self-injection mechanism. C1 [Desforges, F. G.; Paradkar, B. S.; Audet, T. L.; Ju, J.; Lee, P.; Maynard, G.; Cros, B.] Univ Paris 11, CNRS, Lab Phys Gaz & Plasmas, F-91405 Orsay, France. [Hansson, M.; Gallardo-Gonzalez, I.] Lund Univ, Dept Phys, S-22100 Lund, Sweden. [Dufrenoy, S. Dobosz] CEA Saclay, Lab Interact Dynam & Lasers, F-91191 Gif Sur Yvette, France. [Vay, J. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Desforges, FG (reprint author), Univ Paris 11, CNRS, Lab Phys Gaz & Plasmas, F-91405 Orsay, France. EM frederic.desforges@u-psud.fr; brigitte.cros@u-psud.fr NR 35 TC 0 Z9 0 U1 4 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-635-0 J9 PROC SPIE PY 2015 VL 9514 AR 95140Z DI 10.1117/12.2178654 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AK UT WOS:000357019800012 ER PT S AU Schroeder, CB Benedetti, C Bulanov, SS Chen, M Esarey, E Geddes, CGR Vay, JL Yu, LL Leemans, WP AF Schroeder, C. B. Benedetti, C. Bulanov, S. S. Chen, M. Esarey, E. Geddes, C. G. R. Vay, J. -L. Yu, L. -L. Leemans, W. P. BE Ledingham, KWD Esarey, E Spohr, K Schroeder, CB McKenna, P Gruner, FJ Bolton, PR TI Ultra-low emittance beam generation using two-color ionization injection in laser-plasma accelerators SO LASER ACCELERATION OF ELECTRONS, PROTONS, AND IONS III; AND MEDICAL APPLICATIONS OF LASER-GENERATED BEAMS OF PARTICLES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Acceleration of Electrons, Protons, and Ions III and Medical Applications of Laser-Generated Beams of Particles III CY APR 13-15, 2015 CL Prague, CZECH REPUBLIC SP SPIE DE Laser plasma accelerator; ionization injection AB Ultra-low emittance (tens of nm) beams can be generated in a plasma accelerator using ionization injection of electrons into a wakefield. An all-optical method of beam generation uses two laser pulses of different colors. A long-wavelength drive laser pulse (with a large ponderomotive force and small peak electric field) is used to excite a large wakefield without fully ionizing a gas, and a short-wavelength injection laser pulse (with a small ponderomotive force and large peak electric field), co-propagating and delayed with respect to the pump laser, to ionize a fraction of the remaining bound electrons at a trapped wake phase, generating an electron beam that is accelerated in the wake. The trapping condition, the ionized electron distribution, and the trapped bunch dynamics are discussed. Expressions for the beam transverse emittance, parallel and orthogonal to the ionization laser polarization, are derived. An example is presented using a 10-mu m CO2 laser to drive the wake and a frequency-doubled Ti:Al2O3 laser for ionization injection. C1 [Schroeder, C. B.; Benedetti, C.; Bulanov, S. S.; Esarey, E.; Geddes, C. G. R.; Vay, J. -L.; Leemans, W. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Chen, M.; Yu, L. -L.] Shanghai Jiao Tong Univ, Shanghai 200240, Peoples R China. RP Schroeder, CB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM CBSchroeder@lbl.gov RI Yu, Lule/P-2566-2015; Chen, Min/A-9955-2010; OI Chen, Min/0000-0002-4290-9330; Schroeder, Carl/0000-0002-9610-0166 NR 14 TC 0 Z9 0 U1 1 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-635-0 J9 PROC SPIE PY 2015 VL 9514 AR 951408 DI 10.1117/12.2178577 PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AK UT WOS:000357019800002 ER PT S AU Yu, LL Schroeder, CB Esarey, E Benedetti, C Vay, JL Chen, M Sheng, ZM AF Yu, L. -L. Schroeder, C. B. Esarey, E. Benedetti, C. Vay, J. -L. Chen, M. Sheng, Z. -M. BE Ledingham, KWD Esarey, E Spohr, K Schroeder, CB McKenna, P Gruner, FJ Bolton, PR TI Emittance control of electron and positron beams in laser plasma accelerators SO LASER ACCELERATION OF ELECTRONS, PROTONS, AND IONS III; AND MEDICAL APPLICATIONS OF LASER-GENERATED BEAMS OF PARTICLES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Acceleration of Electrons, Protons, and Ions III and Medical Applications of Laser-Generated Beams of Particles III CY APR 13-15, 2015 CL Prague, CZECH REPUBLIC SP SPIE DE laser wakefield; transverse emittance; positron; laser mode; two-color laser-ionization AB We propose to use a combination of Hermite-Gaussian laser modes to generate a nonlinear ring bubble with a large longitudinal accelerating field and a transverse focusing field suitable for positron beam focusing and acceleration. The nonlinear bubble can provide higher accelerating gradients compared with a linear plasma wake. PIC simulations have been used to demonstrate control of the focusing force by changing the relative intensity ratio of the two laser modes, enabling matched positron beam propagation for emittance preservation. In addition, in order to improve phase space characteristics of laser wakefield produced electron beams, in particular, to reduce their transverse emittance, we propose to generate femtosecond electron beams with ultra-low emittance using a two-color laser-ionization injection method. By controlling the amplitude and the duration of the injection pulse, the emittance can be controlled to the level of 10(-2) mm mrad. C1 [Yu, L. -L.; Chen, M.; Sheng, Z. -M.] Shanghai Jiao Tong Univ, Key Lab Lasar Plasmas, Minist Educ, Dept Phys & Astron,IFSA Collabrotat Innovat Ctr, Shanghai 200240, Peoples R China. [Schroeder, C. B.; Esarey, E.; Benedetti, C.; Vay, J. -L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Yu, LL (reprint author), Shanghai Jiao Tong Univ, Key Lab Lasar Plasmas, Minist Educ, Dept Phys & Astron,IFSA Collabrotat Innovat Ctr, Shanghai 200240, Peoples R China. EM LuleYu@sjtu.edu.cn RI Chen, Min/A-9955-2010; Sheng, Zheng-Ming/H-5371-2012; Yu, Lule/P-2566-2015; OI Chen, Min/0000-0002-4290-9330; Schroeder, Carl/0000-0002-9610-0166 NR 18 TC 0 Z9 0 U1 2 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-635-0 J9 PROC SPIE PY 2015 VL 9514 AR 95140P DI 10.1117/12.2178882 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AK UT WOS:000357019800007 ER PT S AU Anderson, BM Venus, G Ott, D Hale, E Divliansky, I Drachenberg, DR Dawson, J Messerly, MJ Pax, PH Tassano, JB Glebov, LB AF Anderson, Brian M. Venus, George Ott, Dan Hale, Evan Divliansky, Ivan Drachenberg, Derrek R. Dawson, Jay Messerly, Mike J. Pax, Paul H. Tassano, John B. Glebov, Leonid B. BE Dubinskii, M Post, SG TI Higher order mode selection for power scaling in laser resonators using transmitting Bragg gratings SO LASER TECHNOLOGY FOR DEFENSE AND SECURITY XI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Technology for Defense and Security XI CY APR 21-22, 2015 CL Baltimore, MD SP SPIE DE Multiplexed VBG; PTR; higher order mode; ribbon fiber; mode selection; mode conversion ID RIBBON FIBER LASER; AMPLIFIERS; OPERATION; AREA AB Power scaling using a higher order mode in a ribbon fiber has previously been proposed. However, methods of selecting the higher order mode and converting to a single lobe high brightness beam are needed. We propose using a multiplexed transmitting Bragg grating (MTBG) to convert a higher order mode into a single lobe beam. Using a ribbon fiber with core dimensions of 107.8 mu m by 8.3 mu m, we use the MTBG to select a higher order mode oscillating within the resonator with 51.4% efficiency, while simultaneously converting the higher order mode to a beam with diffraction limited divergence of 10.2 mrad containing 60% of the total power. C1 [Anderson, Brian M.; Venus, George; Ott, Dan; Hale, Evan; Divliansky, Ivan; Glebov, Leonid B.] Univ Cent Florida, Coll Opt & Photon, CREOL, Orlando, FL 32816 USA. [Drachenberg, Derrek R.; Dawson, Jay; Messerly, Mike J.; Pax, Paul H.; Tassano, John B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Anderson, BM (reprint author), Univ Cent Florida, Coll Opt & Photon, CREOL, POB 162700, Orlando, FL 32816 USA. NR 20 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-582-7 J9 PROC SPIE PY 2015 VL 9466 AR 94660C DI 10.1117/12.2177060 PG 9 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0IY UT WOS:000357259200006 ER PT J AU Ghandi, K Findlater, AD Mahimwalla, Z MacNeil, CS Awoonor-Williams, E Zahariev, F Gordon, MS AF Ghandi, Khashayar Findlater, Alexander D. Mahimwalla, Zahid MacNeil, Connor S. Awoonor-Williams, Ernest Zahariev, Federico Gordon, Mark S. TI Ultra-fast electron capture by electrosterically-stabilized gold nanoparticles SO NANOSCALE LA English DT Article ID IMIDAZOLIUM IONIC LIQUIDS; GAMMA-RADIATION; METAL NANOPARTICLES; OXIDE NANOPARTICLES; HYDROGEN-PRODUCTION; SOLVATED ELECTRONS; EXCESS ELECTRONS; CRYSTALLINE ICE; CANCER-THERAPY; QUANTUM DOTS AB Ultra-fast pre-solvated electron capture has been observed for aqueous solutions of room-temperature ionic liquid (RTIL) surface-stabilized gold nanoparticles (AuNPs; similar to 9 nm). The extraordinarily large inverse temperature dependent rate constants (k(e) similar to 5 x 10(14) M-1 s(-1)) measured for the capture of electrons in solution suggest electron capture by the AuNP surface that is on the timescale of, and therefore in competition with, electron solvation and electron-cation recombination reactions. The observed electron transfer rates challenge the conventional notion that radiation induced biological damage would be enhanced in the presence of AuNPs. On the contrary, AuNPs stabilized by non-covalently bonded ligands demonstrate the potential to quench radiation-induced electrons, indicating potential applications in fields ranging from radiation therapy to heterogeneous catalysis. C1 [Ghandi, Khashayar; Mahimwalla, Zahid; MacNeil, Connor S.; Awoonor-Williams, Ernest] Mt Allison Univ, Dept Chem & Biochem, Sackville, NB E4L 1G8, Canada. [Findlater, Alexander D.; Zahariev, Federico; Gordon, Mark S.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Findlater, Alexander D.; Zahariev, Federico; Gordon, Mark S.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Ghandi, K (reprint author), Mt Allison Univ, Dept Chem & Biochem, Sackville, NB E4L 1G8, Canada. EM kghandi@mta.ca FU National Sciences and Engineering Research Council of Canada; New Brunswick Innovation Foundation; US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences through the Ames Laboratory PCTC Chemical Physics; Homogeneous and Interfacial Catalysis project; U.S. Department of Energy [8, DE-AC02-07CH11358]; U.S. National Science Foundation Software Infrastructure (SI2) grant [ACI - 1047772] FX This work was supported by funding from the National Sciences and Engineering Research Council of Canada and New Brunswick Innovation Foundation. MSG and FZ were supported by a grant to the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences through the Ames Laboratory PCTC Chemical Physics, and Homogeneous and Interfacial Catalysis project. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract 8 no. DE-AC02-07CH11358. AF was supported by a U.S. National Science Foundation Software Infrastructure (SI2) grant, ACI - 1047772. The authors thank the staff at the Centre for Molecular and Materials Science (CMMS) facility at TRIUMF for their technical expertise and all the support they provide. We also thank Marco Farren-Dai for his help with experiments at TRIUMF. NR 70 TC 1 Z9 1 U1 2 U2 21 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 27 BP 11545 EP 11551 DI 10.1039/c5nr02291f PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CM0WL UT WOS:000357399600008 PM 26036895 ER PT S AU Martin, MZ Fox, RV Miziolek, AW DeLucia, FC Andre, N AF Martin, Madhavi Z. Fox, Robert V. Miziolek, Andrzej W. DeLucia, Frank C., Jr. Andre, Nicolas BE Druy, MA Crocombe, RA Bannon, DP TI Spectral Analysis of Rare Earth Elements using Laser-Induced Breakdown Spectroscopy SO NEXT-GENERATION SPECTROSCOPIC TECHNOLOGIES VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Next-Generation Spectroscopic Technologies VIII CY APR 20-22, 2015 CL Baltimore, MD SP SPIE DE Laser-induced breakdown spectroscopy; LIBS of rare earth magnets; LIBS for detection rare earth elements ID SPECTROMETRY AB There is growing interest in rapid analysis of rare earth elements (REEs) both due to the need to find new natural sources to satisfy increased demand in their use in various electronic devices, as well as the fact that they are used to estimate actinide masses for nuclear safeguards and nonproliferation. Laser-Induced Breakdown Spectroscopy (LIBS) appears to be a particularly well-suited spectroscopy-based technology to rapidly and accurately analyze the REEs in various matrices at low concentration levels (parts-per-million). Although LIBS spectra of REEs have been reported for a number of years, further work is still necessary in order to be able to quantify the concentrations of various REEs in real-world complex samples. LIBS offers advantages over conventional solution-based radiochemistry in terms of cost, analytical turnaround, waste generation, personnel dose, and contamination risk. Rare earth elements of commercial interest are found in the following three matrix groups: 1) raw ores and unrefined materials, 2) as components in refined products such as magnets, lighting phosphors, consumer electronics (which are mostly magnets and phosphors), catalysts, batteries, etc., and 3) waste/recyclable materials (aka e-waste). LIBS spectra for REEs such as Gd, Nd, and Sm found in rare earth magnets are presented. C1 [Martin, Madhavi Z.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Fox, Robert V.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Miziolek, Andrzej W.; DeLucia, Frank C., Jr.] US Army, Res Lab, Aberdeen Proving Ground, MD 21005 USA. [Andre, Nicolas] Univ Tennessee, Ctr Renewable Carbon, Knoxville, TN 37831 USA. RP Martin, MZ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM Martinm1@ornl.gov OI Martin, Madhavi/0000-0002-6677-2180 NR 22 TC 0 Z9 0 U1 3 U2 9 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-598-8 J9 PROC SPIE PY 2015 VL 9482 AR 94820G DI 10.1117/12.2178192 PG 8 WC Optics; Spectroscopy SC Optics; Spectroscopy GA BD0AF UT WOS:000357016100011 ER PT J AU Faney, T Krasheninnikov, SI Wirth, BD AF Faney, T. Krasheninnikov, S. I. Wirth, B. D. TI Spatially dependent cluster dynamics model of He plasma surface interaction in tungsten for fusion relevant conditions SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 25th IAEA Fusion Energy Conference (FEC) CY 2014 CL St Petersburg, RUSSIA SP IAEA DE cluster dynamics; plasma facing materials; modelling; fusion; helium; tungsten ID HELIUM IRRADIATED TUNGSTEN; ALPHA-IRON; RETENTION AB In fusion reactors, plasma facing components (PFC) and, in particular, the divertor will be irradiated with high fluxes of low-energy (similar to 100 eV) helium and hydrogen ions. Tungsten is one of the leading candidate divertor materials for ITER and DEMO fusion reactors. However, the behaviour of tungsten under high dose, coupled helium/hydrogen exposure remains to be fully understood. The PFC response and performance changes are intimately related to microstructural changes, such as the formation of point defect clusters, helium and hydrogen bubbles or dislocation loops. Computational materials' modelling results are described here that investigate the mechanisms controlling microstructural evolution in tungsten. The aim of this study is to understand and predict sub-surface helium bubble growth under high flux helium ion implantation (similar to 1022 m(-2) s(-1)) at high temperatures (>1000 K). We report results from a spatially dependent cluster dynamics model based on reaction-diffusion rate theory to describe the evolution of the microstructure under these conditions. The key input parameters to the model (diffusion coefficients, migration and binding energies, initial defect production) are determined from a combination of atomistic modelling and available experimental data. The results are in good agreement with results of an analytical model that is presented in a separate paper. In particular, it is found that the sub-surface evolution with respect to bubble size and concentration of the helium bubbles strongly depends on the flux and temperature. C1 [Faney, T.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Krasheninnikov, S. I.] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. [Wirth, B. D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. [Wirth, B. D.] Oak Ridge Natl Lab, Knoxville, TN USA. EM tibo@berkeley.edu RI Wirth, Brian/O-4878-2015 OI Wirth, Brian/0000-0002-0395-0285 FU US Department of Energy, Office of Fusion Energy Sciences [DE-SC00-02060]; Scientific Discovery through Advanced Computing program on Plasma Surface Interactions - US DOE, Office of Science, Advanced Scientific Computing Research and Fusion Energy Science FX The authors thank the PSI Plasma Science Center and the PSI SciDAC project. Financial support has been provided by the US Department of Energy, Office of Fusion Energy Sciences through grant DE-SC00-02060 and the Scientific Discovery through Advanced Computing program on Plasma Surface Interactions, funded by US DOE, Office of Science, Advanced Scientific Computing Research and Fusion Energy Science. NR 21 TC 9 Z9 9 U1 6 U2 32 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JAN PY 2015 VL 55 IS 1 AR 013014 DI 10.1088/0029-5515/55/1/013014 PG 14 WC Physics, Fluids & Plasmas SC Physics GA CM3PU UT WOS:000357595900008 ER PT J AU Zhang, G Webster, C Gunzburger, M Burkardt, J AF Zhang, G. Webster, C. Gunzburger, M. Burkardt, J. TI A HYPERSPHERICAL ADAPTIVE SPARSE-GRID METHOD FOR HIGH-DIMENSIONAL DISCONTINUITY DETECTION SO SIAM JOURNAL ON NUMERICAL ANALYSIS LA English DT Article DE discontinuity detection; hyperspherical coordinate system; adaptive sparse grid; rare events; hierarchical acceleration ID PARTIAL-DIFFERENTIAL-EQUATIONS; STOCHASTIC COLLOCATION METHOD; RANDOM INPUT DATA; INTEGRATION; QUADRATURE AB This work proposes and analyzes a hyperspherical adaptive hierarchical sparse-grid method for detecting jump discontinuities of functions in high-dimensional spaces. The method is motivated by the theoretical and computational inefficiencies of well-known adaptive sparse-grid methods for discontinuity detection. Our novel approach constructs a function representation of the discontinuity hypersurface of an N-dimensional discontinuous quantity of interest, by virtue of a hyperspherical transformation. Then, a sparse-grid approximation of the transformed function is built in the hyperspherical coordinate system, whose value at each point is estimated by solving a one-dimensional discontinuity detection problem. Due to the smoothness of the hypersurface, the new technique can identify jump discontinuities with significantly reduced computational cost, compared to existing methods. Moreover, hierarchical acceleration techniques are also incorporated to further reduce the overall complexity. Rigorous complexity analyses of the new method are provided as are several numerical examples that illustrate the effectiveness of the approach. C1 [Zhang, G.; Webster, C.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Gunzburger, M.; Burkardt, J.] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. RP Zhang, G (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM zhangg@ornl.gov; webstercg@ornl.gov; gunzburg@fsu.edu; jburkardt@fsu.edu OI Zhang, Guannan/0000-0001-7256-150X FU U.S. Air Force of Scientific Research [1854-V521-12, FA9550-11-1-0149]; U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program [ERKJ259, ERKJE45, DE-SC0010678]; Laboratory Directed Research and Development program at the Oak Ridge National Laboratory - U.S. Department of Energy [DE-AC05-00OR22725] FX The research of the authors was supported in part by the U.S. Air Force of Scientific Research under grants 1854-V521-12 and FA9550-11-1-0149; by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program under contract, and award, ERKJ259, ERKJE45, and DE-SC0010678; and by the Laboratory Directed Research and Development program at the Oak Ridge National Laboratory, which is operated by UT-Battelle, LLC., for the U.S. Department of Energy under contract DE-AC05-00OR22725. NR 26 TC 2 Z9 2 U1 1 U2 4 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 0036-1429 EI 1095-7170 J9 SIAM J NUMER ANAL JI SIAM J. Numer. Anal. PY 2015 VL 53 IS 3 BP 1508 EP 1536 DI 10.1137/140971531 PG 29 WC Mathematics, Applied SC Mathematics GA CM0YX UT WOS:000357407600015 ER PT J AU Krzyzanowski, N Porcar, L Garg, S Butler, P Castro-Roman, F Bautista, PJ Perez-Salas, U AF Krzyzanowski, Natalie Porcar, Lionel Garg, Sumit Butler, Paul Castro-Roman, Francisco Jesus Bautista, Pedro Perez-Salas, Ursula TI Reply to the 'Comment on "Cholesterol Solubility Limit in Lipid Membranes probed by Small Angle Neutron Scattering and MD simulations"' by R. Epand, Soft Matter, 2015, 11, DOI: 10.1039/C4SM02819H SO SOFT MATTER LA English DT Editorial Material ID DOMAIN FORMATION; BILAYERS; PHOSPHOLIPIDS; SEPARATION; MIXTURES; EPR AB In the comment by Epand et al. on our recent article, it is stated that the term "cholesterol solubility limit" is misused. As Epand et al. point out, there is extensive literature on cholesterol phase separation in phospholipid bilayers and this term is used to define the appearance of cholesterol crystals. Moreover, as they state, this does not preclude them from existing as bilayered crystals or cholesterol-only domains within the membrane itself. Since our SANS data directly measured the maximum amount of cholesterol harboured by POPC and POPS membranes, it may have been more appropriate to use the term "cholesterol saturation limit". Nonetheless, we stated that the saturation and solubility limits of cholesterol coincide in both POPC and POPS. Epand and et al. suggest that the data shown was insufficient to uphold this claim. Herein, we present data that supports the coincidence of cholesterol's saturation limit with cholesterol's solubility limit in 100 nm POPS unilamellar vesicles, where previously it has been reported to not be the case. C1 [Krzyzanowski, Natalie; Garg, Sumit; Perez-Salas, Ursula] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Porcar, Lionel] Inst Laue Langevin, Large Scale Struct Grp, F-38042 Grenoble, France. [Porcar, Lionel; Butler, Paul] Univ Delaware, Dept Chem Engn, Colburn Lab, Newark, DE USA. [Garg, Sumit; Perez-Salas, Ursula] Argonne Natl Lab, Div Mat Sci, Lemont, IL USA. [Butler, Paul] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Castro-Roman, Francisco; Jesus Bautista, Pedro] IPN, Ctr Invest & Estudios Avanzados, Mexico City 07738, DF, Mexico. RP Perez-Salas, U (reprint author), Univ Illinois, Dept Phys, Chicago, IL 60607 USA. EM ursulaps@uic.edu RI Butler, Paul/D-7368-2011 NR 17 TC 2 Z9 2 U1 2 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2015 VL 11 IS 27 BP 5582 EP 5584 DI 10.1039/c5sm01071c PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA CL7ZQ UT WOS:000357192200021 ER PT S AU Cong, L Jin, HY Fitsos, P McIntyre, T Yih, Y Zhao, F Sutherland, JW AF Cong, Liang Jin, Hongyue Fitsos, Pete McIntyre, Timothy Yih, Yuehwern Zhao, Fu Sutherland, John W. BE Kara, S TI Modeling the Value Recovery of Rare Earth Permanent Magnets at End-of-Life SO 22ND CIRP CONFERENCE ON LIFE CYCLE ENGINEERING SE Procedia CIRP LA English DT Proceedings Paper CT 22nd CIRP Conference on Life Cycle Engineering (LCE) CY APR 07-09, 2015 CL Univ New S Wales, Sydney, AUSTRALIA SP CIRP, Univ New S Wales, Sch Mech & Mfg Engn, Sustainable Mfg & Life Cycle Engn Res Grp, VOLKSWAGEN, Baxter HO Univ New S Wales DE Dismantling; Disassembly; Remanufacturing; Recycling AB Permanent magnets containing rare earth elements (REEs) such as Dysprosium and Neodymium offer an advantage over non-REE containing magnets (e.g., ferrite and AlNiCo) in terms of power relative to size. However, REE availability has varied significantly in recent years leading to volatility in the cost of rare earth permanent magnets (REPMs). The supply of REEs can be increased by recycling consumer products and industrial machinery that contain REPMs at product end-of-life (EOL). This paper discusses the REE recovery process for EOL products. The optimal dismantling of products is examined with an emphasis placed on obtaining used REPMs. The challenge of collecting, managing, transporting, and processing used products is addressed through the development of a cost model for REPM recovery. This model is used to investigate several EOL strategies for recovering REPMs. Sensitivity analysis is conducted to identify the key factors that influence value recovery economics. A hard disk drive serves as a case study for model demonstration. (C) 2015 The Authors. Published by Elsevier B.V. C1 [Cong, Liang; Zhao, Fu] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. [Jin, Hongyue; Yih, Yuehwern] Purdue Univ, Sch Ind Engn, W Lafayette, IN 47907 USA. [Fitsos, Pete] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [McIntyre, Timothy] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Zhao, Fu; Sutherland, John W.] Purdue Univ, Div Environm & Ecol Engn, W Lafayette, IN 47907 USA. RP Sutherland, JW (reprint author), Purdue Univ, Div Environm & Ecol Engn, W Lafayette, IN 47907 USA. EM jwsuther@purdue.edu NR 14 TC 2 Z9 2 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2212-8271 J9 PROC CIRP PY 2015 VL 29 BP 680 EP 685 DI 10.1016/j.procir.2015.02.015 PG 6 WC Engineering, Industrial SC Engineering GA BC8WH UT WOS:000356146100115 ER PT S AU Filippetto, D Doolittle, L Huang, G Norum, E Portmann, GJ Qian, H Sannibale, F AF Filippetto, D. Doolittle, L. Huang, G. Norum, E. Portmann, G. J. Qian, H. Sannibale, F. BE Biedron, SG TI Diagnostic for a High Repetition Rate Electron Photo-Gun and First Measurements SO ADVANCES IN X-RAY FREE-ELECTRON LASERS INSTRUMENTATION III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd SPIE Conference on Advances in X-Ray Free-Electron Lasers Instrumentation CY APR 13-16, 2015 CL Prague, CZECH REPUBLIC SP SPIE DE electron gun; high repetition rate; cathodes; electron diagnostic AB The APEX electron source at LBNL combines the high-repetition-rate with the high beam brightness typical of photo-guns, delivering low emittance electron pulses at MHz frequency. Proving the high beam quality of the beam is an essential step for the success of the experiment, opening the doors of the high average power to brightness-hungry applications as X-Ray FELs, MHz ultrafast electron diffraction etc.. As first step, a complete characterization of the beam parameters is foreseen at the Gun beam energy of 750 keV. Diagnostics for low and high current measurements have been installed and tested, and measurements of cathode lifetime and thermal emittance in a RF environment with mA current performed. The recent installation of a double slit system, a deflecting cavity and a high precision spectrometer, allow the exploration of the full 6D phase space. Here we discuss the present layout of the machine and future upgrades, showing the latest results at low and high repetition rate, together with the tools and techniques used.. C1 [Filippetto, D.; Doolittle, L.; Huang, G.; Norum, E.; Portmann, G. J.; Qian, H.; Sannibale, F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Filippetto, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 4 TC 1 Z9 1 U1 3 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-633-6 J9 PROC SPIE PY 2015 VL 9512 AR 95120F DI 10.1117/12.2182470 PG 9 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC9WE UT WOS:000356925200012 ER PT S AU Sannibale, F Filippetto, D Qian, HJ Papadopoulos, CF Wells, R Kramasz, T Padmore, H Feng, J Nasiatka, J Huang, RX Zolotorev, M Staples, JW AF Sannibale, Fernando Filippetto, Daniele Qian, Houjun Papadopoulos, Christos F. Wells, Russell Kramasz, Toby Padmore, Howard Feng, Jun Nasiatka, James Huang, Ruixuan Zolotorev, Max Staples, John W. BE Biedron, SG TI Tests of photocathodes for high repetition rate x-ray FELs at the APEX facility at LBNL SO ADVANCES IN X-RAY FREE-ELECTRON LASERS INSTRUMENTATION III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd SPIE Conference on Advances in X-Ray Free-Electron Lasers Instrumentation CY APR 13-16, 2015 CL Prague, CZECH REPUBLIC SP SPIE DE Photo-Injectors; photo-cathodes; high brightness; electron sources; high repetition rate; FELs ID FREE-ELECTRON LASER; RF GUN; OPERATION; INJECTORS AB After the formidable results of X-ray 4th generation light sources based on free electron lasers around the world, a new revolutionary step is undergoing to extend the FEL performance from the present few hundred Hz to MHz-class repetition rates. In such facilities, temporally equi-spaced pulses will allow for a wide range of previously non-accessible experiments. The Advanced Photo-injector EXperiment (APEX) at the Lawrence Berkeley National Laboratory (LBNL), is devoted to test the capability of a novel scheme electron source, the VHF-Gun, to generate the required electron beam brightness at MHz repetition rates. In linac-based FELs, the ultimate performance in terms of brightness is defined at the injector, and in particular, cathodes play a major role in the game. Part of the APEX program consists in testing high quantum efficiency photocathodes capable to operate at the conditions required by such challenging machines. Results and status of these tests at LBNL are presented. C1 [Sannibale, Fernando; Filippetto, Daniele; Qian, Houjun; Papadopoulos, Christos F.; Wells, Russell; Kramasz, Toby; Padmore, Howard; Feng, Jun; Nasiatka, James; Huang, Ruixuan; Zolotorev, Max; Staples, John W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Huang, Ruixuan] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China. RP Sannibale, F (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. NR 18 TC 1 Z9 1 U1 3 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-633-6 J9 PROC SPIE PY 2015 VL 9512 AR 95121N DI 10.1117/12.2181912 PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC9WE UT WOS:000356925200034 ER PT J AU Sudarchikova, N Mikolajewicz, U Timmreck, C O'Donnell, D Schurgers, G Sein, D Zhang, K AF Sudarchikova, N. Mikolajewicz, U. Timmreck, C. O'Donnell, D. Schurgers, G. Sein, D. Zhang, K. TI Modelling of mineral dust for interglacial and glacial climate conditions with a focus on Antarctica SO CLIMATE OF THE PAST LA English DT Article ID ICE CORE; TERRESTRIAL ECOSYSTEMS; COASTAL ANTARCTICA; ATMOSPHERIC DUST; CIRRUS CLOUDS; DESERT DUST; DOME-C; AEROSOL; CYCLES; VARIABILITY AB The mineral dust cycle responds to climate variations and plays an important role in the climate system by affecting the radiative balance of the atmosphere and modifying biogeochemistry. Polar ice cores provide unique information about deposition of aeolian dust particles transported over long distances. These cores are a palaeoclimate proxy archive of climate variability thousands of years ago. The current study is a first attempt to simulate past interglacial dust cycles with a global aerosol-climate model ECHAM5-HAM. The results are used to explain the dust deposition changes in Antarctica in terms of quantitative contribution of different processes, such as emission, atmospheric transport and precipitation, which will help to interpret palaeo-data from Antarctic ice cores. The investigated periods include four interglacial time slices: the pre-industrial control (CTRL), mid-Holocene (6000 yr BP; hereafter referred to as "6 kyr"), last glacial inception (115 000 yr BP; hereafter "115 kyr") and Eemian (126 000 yr BP; hereafter "126 kyr"). One glacial time interval, the Last Glacial Maximum (LGM) (21 000 yr BP; hereafter "21 kyr"), was simulated as well to be a reference test for the model. Results suggest an increase in mineral dust deposition globally, and in Antarctica, in the past interglacial periods relative to the pre-industrial CTRL simulation. Approximately two-thirds of the increase in the mid-Holocene and Eemian is attributed to enhanced Southern Hemisphere dust emissions. Slightly strengthened transport efficiency causes the remaining one-third of the increase in dust deposition. The moderate change in dust deposition in Antarctica in the last glacial inception period is caused by the slightly stronger poleward atmospheric transport efficiency compared to the pre-industrial. Maximum dust deposition in Antarctica was simulated for the glacial period. LGM dust deposition in Antarctica is substantially increased due to 2.6 times higher Southern Hemisphere dust emissions, 2 times stronger atmospheric transport towards Antarctica, and 30% weaker precipitation over the Southern Ocean. The model is able to reproduce the order of magnitude of dust deposition globally and in Antarctica for the pre-industrial and LGM climates. C1 [Sudarchikova, N.; Mikolajewicz, U.; Timmreck, C.] Max Planck Inst Meteorol, Environm Modeling, D-20146 Hamburg, Germany. [O'Donnell, D.] Finnish Meteorol Inst, Climate Change Res, FIN-00101 Helsinki, Finland. [Schurgers, G.] Lund Univ, Dept Phys Geog & Ecosyst Sci, Lund, Sweden. [Sein, D.] Alfred Wegener Inst Polar & Marine Res, Climate Dynam, Bremerhaven, Germany. [Zhang, K.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Sudarchikova, N (reprint author), Max Planck Inst Meteorol, Environm Modeling, Bundesstr 55, D-20146 Hamburg, Germany. EM natalia.sudarchikova@mpimet.mpg.com RI Schurgers, Guy/K-6543-2012; Zhang, Kai/F-8415-2010; OI Schurgers, Guy/0000-0002-2189-1995; Zhang, Kai/0000-0003-0457-6368; Sein, Dmitry/0000-0002-1190-3622; Timmreck, Claudia/0000-0001-5355-0426 FU Deutsche Forschungsgemeinschaft FX This work was funded by the Deutsche Forschungsgemeinschaft in the project MISO within the framework of the priority programme INTERDYNAMIK (SPP1266). The model integrations were performed at the German Climate Computing Center (DKRZ). We appreciate the comments and suggestions by Silvia Kloster and the two anonymous reviewers, which helped us to improve the paper. NR 56 TC 5 Z9 5 U1 2 U2 30 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1814-9324 EI 1814-9332 J9 CLIM PAST JI Clim. Past. PY 2015 VL 11 IS 5 BP 765 EP 779 DI 10.5194/cp-11-765-2015 PG 15 WC Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Geology; Meteorology & Atmospheric Sciences GA CL7AE UT WOS:000357121100005 ER PT J AU Ranalli, JA Strakey, PA AF Ranalli, Joseph A. Strakey, Peter A. TI CHARACTERIZATION OF A NITROGEN DILUTED HYDROGEN DIFFUSION FLAME FOR MODEL VALIDATION SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE Hydrogen dilute diffusion; Raman spectroscopy ID RAMAN-SCATTERING; JET FLAMES; TURBULENT; AIR; FLUORESCENCE; COMBUSTION; REDUCTION; RAYLEIGH AB Dilute hydrogen diffusion flames have been considered as a gas turbine combustion strategy that provides relatively low levels of NOx emissions for application in integrated gasification combined cycle power generation. These flames also represent a challenging environment for computational modeling efforts due to the complexity of molecular transport effects, turbulence-chemistry interaction, and near extinction flame conditions. In order to provide data for validation of computational modeling efforts, measurements of major species concentration and flame temperature were made in such a flame using spontaneous Raman scattering. Experimental results demonstrate the importance of differential species diffusion, which occurs due to the disparity between diffusion characteristics of hydrogen and nitrogen. Additionally, the flame temperatures observed were quite low relative to the equilibrium flame temperature, due to flame strain. This confirms the fact that suppression of the thermal mechanism of NOx formation plays a significant role in reducing NOx emissions from this type of flame. C1 [Ranalli, Joseph A.; Strakey, Peter A.] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Ranalli, JA (reprint author), Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM jranalli@vt.edu NR 20 TC 0 Z9 0 U1 2 U2 6 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0010-2202 EI 1563-521X J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PY 2015 VL 187 IS 9 BP 1351 EP 1375 DI 10.1080/00102202.2015.1042102 PG 25 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA CL4ZI UT WOS:000356967100003 ER PT J AU Xiong, QG Ma, JS Zhou, H Lorenzini, G AF Xiong, Qingang Ma, Jingsen Zhou, Hao Lorenzini, Giulio TI Multiscale Discrete Simulation of Complex Systems SO DISCRETE DYNAMICS IN NATURE AND SOCIETY LA English DT Editorial Material C1 [Xiong, Qingang] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Ma, Jingsen] Dynaflow Inc, Jessup, MD 20794 USA. [Zhou, Hao] Zhejiang Univ, Inst Thermal Power Engn, Hangzhou 310027, Zhejiang, Peoples R China. [Lorenzini, Giulio] Univ Parma, Dept Ind Engn, I-43124 Parma, Italy. RP Xiong, QG (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM xiongq@ornl.gov; jingsen@dynaflow-inc.com NR 0 TC 0 Z9 0 U1 3 U2 8 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1026-0226 EI 1607-887X J9 DISCRETE DYN NAT SOC JI Discrete Dyn. Nat. Soc. PY 2015 AR 383084 DI 10.1155/2015/383084 PG 2 WC Mathematics, Interdisciplinary Applications; Multidisciplinary Sciences SC Mathematics; Science & Technology - Other Topics GA CL8HR UT WOS:000357215700001 ER PT J AU Yuhara, D Barnes, BC Suh, D Knott, BC Beckham, GT Yasuoka, K Wu, DT Sum, AK AF Yuhara, Daisuke Barnes, Brian C. Suh, Donguk Knott, Brandon C. Beckham, Gregg T. Yasuoka, Kenji Wu, David T. Sum, Amadeu K. TI Nucleation rate analysis of methane hydrate from molecular dynamics simulations SO FARADAY DISCUSSIONS LA English DT Article ID NANOPARTICLE GROWTH ANALYSIS; PARTICLE MESH EWALD; HOMOGENEOUS NUCLEATION; CLATHRATE-HYDRATE; COMPUTER-SIMULATION; VAPOR NUCLEATION; JONES FLUID; PHASE; WATER; SYSTEM AB Clathrate hydrates are solid crystalline structures most commonly formed from solutions that have nucleated to form a mixed solid composed of water and gas. Understanding the mechanism of clathrate hydrate nucleation is essential to grasp the fundamental chemistry of these complex structures and their applications. Molecular dynamics (MD) simulation is an ideal method to study nucleation at the molecular level because the size of the critical nucleus and formation rate occur on the nano scale. Various analysis methods for nucleation have been developed through MD to analyze nucleation. In particular, the mean first-passage time (MFPT) and survival probability (SP) methods have proven to be effective in procuring the nucleation rate and critical nucleus size for monatomic systems. This study assesses the MFPT and SP methods, previously used for monatomic systems, when applied to analyzing clathrate hydrate nucleation. Because clathrate hydrate nucleation is relatively difficult to observe in MD simulations (due to its high free energy barrier), these methods have yet to be applied to clathrate hydrate systems. In this study, we have analyzed the nucleation rate and critical nucleus size of methane hydrate using MFPT and SP methods from data generated by MD simulations at 255 K and 50 MPa. MFPT was modified for clathrate hydrate from the original version by adding the maximum likelihood estimate and growth effect term. The nucleation rates calculated by MFPT and SP methods are within 5%, and the critical nucleus size estimated by the MFPT method was 50% higher, than values obtained through other more rigorous but computationally expensive estimates. These methods can also be extended to the analysis of other clathrate hydrates. C1 [Yuhara, Daisuke; Suh, Donguk; Yasuoka, Kenji] Keio Univ, Dept Mech Engn, Yokohama, Kanagawa 223, Japan. [Barnes, Brian C.; Wu, David T.; Sum, Amadeu K.] Colorado Sch Mines, Ctr Hydrate Res, Chem & Biol Engn Dept, Golden, CO 80401 USA. [Knott, Brandon C.; Beckham, Gregg T.] Natl Renewable Energy Lab, Golden, CO USA. [Wu, David T.] Colorado Sch Mines, Dept Chem, Golden, CO 80401 USA. RP Sum, AK (reprint author), Colorado Sch Mines, Ctr Hydrate Res, Chem & Biol Engn Dept, Golden, CO 80401 USA. EM asum@mines.edu RI Sum, Amadeu/B-1103-2009 OI Sum, Amadeu/0000-0003-1903-4537 FU MEXT; U.S. National Science Foundation [CHE-1125235]; NREL Directors Fellowship Program FX This work was supported (in part) by MEXT Grant-in-Aid for the "Program for Leading Graduate Schools". This project was partially funded by the U.S. National Science Foundation (CHE-1125235). B.C.K. and G.T.B. thank the NREL Directors Fellowship Program for Funding. High-performance computing resources were provided by the National Renewable Energy Laboratory, Golden Energy Computing Organization (Colorado School of Mines), and Sandia National Laboratories. NR 67 TC 10 Z9 10 U1 7 U2 30 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-6640 EI 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2015 VL 179 BP 463 EP 474 DI 10.1039/c4fd00219a PG 12 WC Chemistry, Physical SC Chemistry GA CL4XT UT WOS:000356961400024 PM 25876773 ER PT S AU Chong, XY Kim, KJ Ohodnicki, PR Chang, CH Wang, AX AF Chong, Xinyuan Kim, Ki-Joong Ohodnicki, Paul R. Chang, Chih-Hung Wang, Alan X. BE Pickrell, G Udd, E Du, HH TI Near-Infrared Absorption Fiber-Optic Sensors for Ultra-Sensitive CO2 Detection SO FIBER OPTIC SENSORS AND APPLICATIONS XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications XII CY APR 22-23, 2015 CL Baltimore, MD SP SPIE DE Gas Sensor; Near-Infrared Absorption; Fiber-Optic Sensor; Metal-Organic Framework ID METAL-ORGANIC FRAMEWORKS; PLASMON RESONANCE SENSOR; CARBON-DIOXIDE; HYDROGEN STORAGE; DRUG-DELIVERY; OPTIC SENSORS; GAS SENSORS; WAVE-GUIDE; FILM; TEMPERATURE AB We present a fiber-optic sensor working at near-infrared (NIR) wavelength (similar to 1.57 mu m) for CO2 detection. In order to increase the NIR absorption, we utilize functional sensor materials metal-organic framework (MOF) on the surface of the core of a multimode-fiber with the cladding layer etched away. The selected functional materials demonstrated excellent adsorption capacity of CO2 and significantly increased the detection sensitivity down to 500 ppm with only 8-centimeter absorption length. C1 [Chong, Xinyuan; Wang, Alan X.] Oregon State Univ, Sch Elect Engn & Comp Sci, Corvallis, OR 97331 USA. [Kim, Ki-Joong; Chang, Chih-Hung] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA. [Ohodnicki, Paul R.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Chang, CH (reprint author), Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA. EM Chih-Hung.Chang@oregonstate.edu; wang@eecs.oregonstate.edu NR 42 TC 0 Z9 0 U1 4 U2 13 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-596-4 J9 PROC SPIE PY 2015 VL 9480 AR 94800W DI 10.1117/12.2178072 PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AJ UT WOS:000357019100023 ER PT S AU Rasberry, RD Rohr, GD Miller, WK Udd, E Blach, NT Davis, RA Olson, WR Calkins, D Roach, AR Walsh, DS McElhanon, JR AF Rasberry, Roger D. Rohr, Garth D. Miller, William K. Udd, Eric Blach, Noah T. Davis, Ryan A. Olson, Walter R. Calkins, David Roach, Allen R. Walsh, David S. McElhanon, James R. BE Pickrell, G Udd, E Du, HH TI Interrogating adhesion using fiber Bragg grating sensing technology SO FIBER OPTIC SENSORS AND APPLICATIONS XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications XII CY APR 22-23, 2015 CL Baltimore, MD SP SPIE DE Fiber Bragg grating; chirped; adhesion; epoxy; encapsulation; interface ID COMPOSITE STRUCTURES; STRAIN SENSOR; JOINTS; THERMOSET; EPOXY; MODEL AB The assurance of the integrity of adhesive bonding at substrate interfaces is paramount to the longevity and sustainability of encapsulated components. Unfortunately, it is often difficult to non-destructively evaluate these materials to determine the adequacy of bonding after manufacturing and then later in service. A particularly difficult problem in this regard is the reliable detection/monitoring of regions of weak bonding that may result from poor adhesion or poor cohesive strength, or degradation in service. One promising and perhaps less explored avenue we have recently begun to investigate for this purpose centers on the use of (chirped) fiber Bragg grating sensing technology. In this scenario, a grating is patterned into a fiber optic such that a (broadband) spectral reflectance is observed. The sensor is highly sensitive to local and uniform changes across the length of the grating. Initial efforts to evaluate this approach for measuring adhesive bonding defects at substrate interfaces are discussed. 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. C1 [Rasberry, Roger D.; Rohr, Garth D.; Miller, William K.; Davis, Ryan A.; Olson, Walter R.; Calkins, David; Roach, Allen R.; Walsh, David S.; McElhanon, James R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Udd, Eric] Columbia Gorge Res LLC, Fairview, OR 97024 USA. [Blach, Noah T.] US Air Force Acad, Colorado Springs, CO 80840 USA. RP Rasberry, RD (reprint author), Sandia Natl Labs, POB 5800,MS 0888, Albuquerque, NM 87185 USA. NR 20 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-596-4 J9 PROC SPIE PY 2015 VL 9480 AR 948007 DI 10.1117/12.2177701 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AJ UT WOS:000357019100006 ER PT S AU Rodriguez, G Jaime, M Mielke, CH Balakirev, FF Azad, A Sandberg, RL Marshall, B La Lone, BM Henson, BF Smilowitz, L Marr-Lyon, M Sandoval, T AF Rodriguez, George Jaime, Marcelo Mielke, Chuck H. Balakirev, Fedor F. Azad, Abul Sandberg, Richard L. Marshall, Bruce La Lone, Brandon M. Henson, Bryan F. Smilowitz, Laura Marr-Lyon, Mark Sandoval, Tom BE Pickrell, G Udd, E Du, HH TI Insight into fiber Bragg sensor response at 100 MHz interrogation rates under various dynamic loading conditions SO FIBER OPTIC SENSORS AND APPLICATIONS XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications XII CY APR 22-23, 2015 CL Baltimore, MD SP SPIE DE Fiber Bragg gratings; fiber Bragg instrumentation and techniques; fiber optic sensors; strain and pressure measurement; shockwaves; ultrafast technology ID LASER AB A 100 MHz fiber Bragg grating (FBG) interrogation system is described and applied to strain, pressure, and shock position sensing. The approach relies on coherent pulse illumination of the FBG sensor with a broadband short pulse from a femtosecond modelocked erbium fiber laser. After interrogation of the FBG sensor, a long multi-kilometer run of single mode fiber was used for chromatic dispersion to temporally stretch the spectral components of the reflected pulse from the FBG sensor. Dynamic strain or pressure induced spectral shifts in the FBG sensor were detected as a pulsed time domain waveform shift after encoding by the chromatic dispersive line. Signals were recorded using a single 35 GHz photodetector and a 25 GHz bandwidth digitizing oscilloscope. Application of this approach to high-speed strain sensing of magnetic materials in pulsed magnetic fields to similar to 150 T is demonstrated. The FBG wavelength shifts were used to study magnetic field driven magnetostriction effects in LaCoO3. A sub-microsecond temporal shift in the FBG sensor wavelength attached to the sample under first order phase change appears as a fractional length change (strain: Delta L/L<10(-4)) in the material. A second application to FBG sensing of pressure dynamics to nearly 2 GPa in the thermal ignition of the high explosive PBX-9501 is also demonstrated. Then, as final demonstration, we use a chirped FBG (CFBG) to resolve shock propagation dynamics in 1-D from an explosive detonation that produces fragmentation in an inert confinement vessel. These applications demonstrate the use of this FBG interrogation system in dynamical extreme conditions that would otherwise not be possible using traditional FBG interrogation approaches that are deemed too slow to resolve such events. C1 [Rodriguez, George; Jaime, Marcelo; Mielke, Chuck H.; Balakirev, Fedor F.; Azad, Abul; Sandberg, Richard L.; Henson, Bryan F.; Smilowitz, Laura; Marr-Lyon, Mark; Sandoval, Tom] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Marshall, Bruce; La Lone, Brandon M.] Natl Secur Technol LLC, Special Technol Lab, Santa Barbara, CA 93001 USA. RP Rodriguez, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Rodriguez, George/G-7571-2012; OI Rodriguez, George/0000-0002-6044-9462; Azad, Abul/0000-0002-7784-7432; Jaime, Marcelo/0000-0001-5360-5220; Sandberg, Richard/0000-0001-9719-8188 NR 30 TC 2 Z9 2 U1 2 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-596-4 J9 PROC SPIE PY 2015 VL 9480 AR 948004 DI 10.1117/12.2086707 PG 15 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AJ UT WOS:000357019100003 ER PT S AU Rohr, GD Rasberry, RD Kaczmarowksi, AK Stavig, ME Gibson, CS Udd, E Roach, AR Nation, B AF Rohr, Garth D. Rasberry, Roger D. Kaczmarowksi, Amy K. Stavig, Mark E. Gibson, Cory S. Udd, Eric Roach, Allen R. Nation, Brendan BE Pickrell, G Udd, E Du, HH TI Residual internal stress optimization for EPON 828/DEA thermoset resin using fiber Bragg grating sensors SO FIBER OPTIC SENSORS AND APPLICATIONS XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications XII CY APR 22-23, 2015 CL Baltimore, MD SP SPIE DE Fiber Bragg grating; chirped; stress; epoxy; encapsulation; cure ID MODEL AB Internal residual stresses and overall mechanical properties of thermoset resins are largely dictated by the curing process. It is well understood that fiber Bragg grating (FBG) sensors can be used to evaluate temperature and cure induced strain while embedded during curing. Herein, is an extension of this work whereby we use FBGs as a probe for minimizing the internal residual stress of an unfilled and filled Epon 828/DEA resin. Variables affecting stress including cure cycle, mold (release), and adhesion promoting additives will be discussed and stress measurements from a strain gauge pop-off test will be used as comparison. 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. C1 [Rohr, Garth D.; Rasberry, Roger D.; Kaczmarowksi, Amy K.; Stavig, Mark E.; Roach, Allen R.; Nation, Brendan] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Gibson, Cory S.; Udd, Eric] Columbia Gorge Res LLC, Fairview, OR 97024 USA. RP Rohr, GD (reprint author), Sandia Natl Labs, POB 5800,MS 0888, Albuquerque, NM 87185 USA. NR 12 TC 0 Z9 0 U1 2 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-596-4 J9 PROC SPIE PY 2015 VL 9480 AR 948008 DI 10.1117/12.2179198 PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AJ UT WOS:000357019100007 ER PT S AU Wang, CJ Su, X Brown, TD Ohodnicki, PR AF Wang, Congjun Su, Xin Brown, Thomas. D. Ohodnicki, Paul R., Jr. BE Pickrell, G Udd, E Du, HH TI Novel sensing materials for harsh environment subsurface pH sensing applications SO FIBER OPTIC SENSORS AND APPLICATIONS XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications XII CY APR 22-23, 2015 CL Baltimore, MD SP SPIE DE pH; optical fiber; high temperature; high pressure; silica; metal nanoparticle ID REFRACTIVE-INDEX; COLLOIDAL GOLD; PRESSURE; NANOPARTICLES; TEMPERATURES; WATER; DENSITY; SENSORS AB Robust pH sensors that can operate under harsh environmental conditions are valuable for a variety of applications, such as oil and gas production, geological CO2 sequestration, etc. However, despite the significant advance in pH measurement technology, reliable pH sensing at elevated pressures (up to 30,000 psi) and high temperatures (up to 350 degrees C) remains challenging. We describe an optical pH sensor based on optical fiber technology. A sensing layer that is comprised of metal nanoparticles incorporated in a silica matrix coated on an optical fiber exhibits strong and reversible optical response to pH variation at 80 degrees C and in solutions with different salt concentrations. The same robust response is also observed at elevated pressures up to 2,000 psi. The optical fiber pH sensor is made of materials with high stability at temperatures at least up to similar to 600 degrees C. Therefore, this approach provides a new potential means to enable optical pH sensing for extreme environment applications. C1 [Wang, Congjun; Su, Xin; Brown, Thomas. D.; Ohodnicki, Paul R., Jr.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Wang, Congjun] AECOM, Pittsburgh, PA 15219 USA. [Ohodnicki, Paul R., Jr.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. RP Wang, CJ (reprint author), Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. NR 22 TC 0 Z9 0 U1 2 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-596-4 J9 PROC SPIE PY 2015 VL 9480 AR 94800C DI 10.1117/12.2185051 PG 6 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BD0AJ UT WOS:000357019100011 ER PT S AU Tang, J Georgescu, W Deschamps, T Yannone, SM Costes, SV AF Tang, Jonathan Georgescu, Walter Deschamps, Thomas Yannone, Steven M. Costes, Sylvain V. BE Maxwell, C Roskelley, C TI Mathematical Modeling for DNA Repair, Carcinogenesis and Cancer Detection SO GENOMIC INSTABILITY AND CANCER METASTASIS: MECHANISMS, EMERGING THEMES, AND NOVEL THERAPEUTIC STRATEGIES SE Cancer Metastasis Biology and Treatment LA English DT Article; Book Chapter DE Radiation Induced Foci; DNA double strand breaks; DNA repair kinetics; baseline DNA damage; cancer model; cancer risk; multi-stage clonal expansion model; cancer detection ID DOUBLE-STRAND BREAKS; HISTONE H2AX PHOSPHORYLATION; INDUCED GENOMIC INSTABILITY; CLASS SWITCH RECOMBINATION; NEUTRAL COMET ASSAY; HEAT-LABILE SITES; LOW-LET RADIATION; IONIZING-RADIATION; GAMMA-H2AX FOCI; IN-VITRO AB The constant damage of DNA in human cells is considered the main cause of aging and cancer. In this review, we discuss the most lethal form of DNA damage, the DNA double strand break (DSB), and how it relates to cancer. DSB sensor proteins in the nucleus detect DNA breaks within minutes following damage. These proteins are now routinely labeled by immunocytochemistry, and access to high throughput fluorescence microscopy and robotics open the door to rapid measurement of DSB levels in individuals. This method, often referred as the DSB foci assay, leads to images showing small bright spots at the site of each damage in the nucleus. We first discuss how energy consumption in the cell leads to detectable baseline levels of foci per cell measured in peripheral blood lymphocytes. Mathematical kinetics are then described to infer both genetic defects in DNA repair and environmental factors influencing these levels. We emphasize ionizing radiation, which is the principal environmental factor that increases DSB levels. Mathematical models associating a mutation probability for each DSB have been used to explain the dose dependence of cancer incidence observed after exposure to high doses of radiation. The main assumption in these models is that high mutation frequency can eventually lead to tumor suppressor gene deletion or oncogene amplification. We conclude by suggesting that the growing stream of genetic and phenotypic measurements related to DNA repair and DNA damage will lead to more accurate predictive tools for cancer risk and individualized cancer prevention. C1 [Georgescu, Walter; Yannone, Steven M.; Costes, Sylvain V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Tang, Jonathan; Deschamps, Thomas; Yannone, Steven M.; Costes, Sylvain V.] Exogen Biotechnol Inc, Berkeley, CA USA. RP Costes, SV (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, MS 977, Berkeley, CA 94720 USA. EM svcostes@lbl.gov NR 121 TC 1 Z9 1 U1 3 U2 3 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 1568-2102 BN 978-3-319-12136-9; 978-3-319-12135-2 J9 CANCER METAST BIOL T JI Cancer Metastasis-Biol Treat PY 2015 VL 20 BP 75 EP 93 D2 10.1007/978-3-319-12136-9 PG 19 WC Oncology SC Oncology GA BD0JT UT WOS:000357274100005 ER PT J AU Lee, J Kim, Y Kim, J Shipman, GM AF Lee, Junghee Kim, Youngjae Kim, Jongman Shipman, Galen M. TI Synchronous I/O Scheduling of Independent Write Caches for an Array of SSDs SO IEEE COMPUTER ARCHITECTURE LETTERS LA English DT Article DE Redundant array of independent disks (RAID); solid-state drive (SSD); flash memory; I/O scheduling; write cache AB Solid-state drives (SSD) offer a significant performance improvement over the hard disk drives (HDD), however, it can exhibit a significant variance in latency and throughput due to internal garbage collection (GC) process on the SSD. When the SSDs are configured in a RAID, the performance variance of individual SSDs could significantly degrade the overall performance of the RAID of SSDs. The internal cache on the RAID controller can help mitigate the performance variability issues of SSDs in the array; however, the state-of-the-art cache algorithm of the RAID controller does not consider the characteristics of SSDs. In this paper, we examine the most recent write cache algorithm for the array of disks, and propose a synchronous independent write cache (SIW) algorithm. We also present a pre-parity-computation technique for the RAID of SSDs with parity computations, which calculates parities of blocks in advance before they are stored in the write cache. With this new technique, we propose a complete paradigm shift in the design of write cache. In our evaluation study, large write requests dominant workloads show up to about 50 and 20 percent improvements in average response times on RAID-0 and RAID-5 respectively as compared to the state-of-the-art write cache algorithm. C1 [Lee, Junghee] Univ Texas San Antonio, San Antonio, TX 78229 USA. [Kim, Youngjae] Ajou Univ, Suwon 441749, South Korea. [Kim, Jongman] Georgia Inst Technol, Atlanta, GA 30332 USA. [Shipman, Galen M.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Lee, J (reprint author), Univ Texas San Antonio, San Antonio, TX 78229 USA. EM junghee.lee@utsa.edu; youkim@gmail.com; jkim@ece.gatech.edu; gshipman@ornl.gov NR 8 TC 0 Z9 0 U1 2 U2 2 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1556-6056 EI 1556-6064 J9 IEEE COMPUT ARCHIT L JI IEEE Comput. Archit. Lett. PD JAN-JUN PY 2015 VL 14 IS 1 BP 79 EP 82 DI 10.1109/LCA.2014.2298394 PG 4 WC Computer Science, Hardware & Architecture SC Computer Science GA CL1QK UT WOS:000356718700020 ER PT J AU Hexemer, A Muller-Buschbaum, P AF Hexemer, Alexander Mueller-Buschbaum, Peter TI Advanced grazing-incidence techniques for modern soft-matter materials analysis SO IUCRJ LA English DT Article DE grazing-incidence techniques; GISAXS; GIWAXS; resonant soft X-ray scattering; GISANS; morphology; soft matter ID X-RAY-SCATTERING; COPOLYMER THIN-FILMS; SMALL-ANGLE NEUTRON; POLYMER SOLAR-CELLS; ATOMIC-FORCE MICROSCOPY; HIGH-FLUX BEAMLINE; IN-SITU GISAXS; BLOCK-COPOLYMER; BLEND FILMS; SPUTTER-DEPOSITION AB The complex nano-morphology of modern soft-matter materials is successfully probed with advanced grazing-incidence techniques. Based on grazing-incidence small-and wide-angle X-ray and neutron scattering (GISAXS, GIWAXS, GISANS and GIWANS), new possibilities arise which are discussed with selected examples. Due to instrumental progress, highly interesting possibilities for local structure analysis in this material class arise from the use of micro-and nanometer-sized X-ray beams in micro-or nanofocused GISAXS and GIWAXS experiments. The feasibility of very short data acquisition times down to milliseconds creates exciting possibilities for in situ and in operando GISAXS and GIWAXS studies. Tuning the energy of GISAXS and GIWAXS in the soft X-ray regime and in time-of flight GISANS allows the tailoring of contrast conditions and thereby the probing of more complex morphologies. In addition, recent progress in software packages, useful for data analysis for advanced grazing-incidence techniques, is discussed. C1 [Hexemer, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Mueller-Buschbaum, Peter] Tech Univ Munich, Lehrstuhl Funkt Mat, Dept Phys, D-85748 Garching, Germany. [Mueller-Buschbaum, Peter] Nanosyst Initiat Munich, D-80799 Munich, Germany. RP Muller-Buschbaum, P (reprint author), Tech Univ Munich, Lehrstuhl Funkt Mat, Dept Phys, James Franck Str 1, D-85748 Garching, Germany. EM peter.mueller-buschbaum@ph.tum.de RI Muller-Buschbaum, Peter/C-3397-2017 OI Muller-Buschbaum, Peter/0000-0002-9566-6088 FU TUM.solar in the framework of the Bavarian Collaborative Research Project 'Solar Technologies go Hybrid' (SolTech); GreenTech Initiative (Interface Science for Photovoltaics - ISPV) of the EuroTech Universities; DFG priority program 'Elementarprozesse der Organischen Photovoltaik' [SPP 1355]; Early Career DOE program FX Financial support from TUM.solar in the framework of the Bavarian Collaborative Research Project 'Solar Technologies go Hybrid' (SolTech), from the GreenTech Initiative (Interface Science for Photovoltaics - ISPV) of the EuroTech Universities and from DFG priority program SPP 1355 'Elementarprozesse der Organischen Photovoltaik' is acknowledged by PMB. Financial support from the Early Career DOE program is acknowledged by AH. V. Korstgens helped with the references and with proof reading the text, together with N. Saxena. NR 168 TC 41 Z9 41 U1 13 U2 69 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-2525 J9 IUCRJ JI IUCrJ PD JAN PY 2015 VL 2 BP 106 EP 125 DI 10.1107/S2052252514024178 PN 1 PG 20 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CL3QR UT WOS:000356865900014 PM 25610632 ER PT J AU McIntosh, KG Cordes, NL Patterson, BM Havrilla, GJ AF McIntosh, K. G. Cordes, N. L. Patterson, B. M. Havrilla, G. J. TI Laboratory-based characterization of plutonium in soil particles using micro-XRF and 3D confocal XRF SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY LA English DT Article ID X-RAY TECHNIQUES; NUCLEAR AB The measurement of plutonium (Pu) in a soil matrix is of interest in safeguards, nuclear forensics, and environmental remediation activities. The elemental composition of two Pu contaminated soil particles was characterized nondestructively using micro X-ray fluorescence spectrometry (micro-XRF) techniques including high resolution X-ray (hiRX) and 3D confocal XRF. The three dimensional elemental imaging capability of confocal XRF permitted the identification two distinct Pu particles within the samples: one external to the Fe-rich soil matrix and another co-located with Cu within the soil matrix. The size and morphology of the particles was assessed with X-ray transmission microscopy (XTM) and micro X-ray computed tomography (micro-CT) providing complementary information. Limits of detection for a 30 mu m Pu particle are <15 ng for each of the XRF techniques. This study highlights the capability for lab-based, nondestructive, spatially resolved characterization of heterogeneous matrices on the micrometer scale with nanogram sensitivity. C1 [McIntosh, K. G.; Havrilla, G. J.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Cordes, N. L.; Patterson, B. M.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP McIntosh, KG (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM kmcintosh@lanl.gov OI Havrilla, George/0000-0003-2052-7152; Cordes, Nikolaus/0000-0003-3367-5592; Patterson, Brian/0000-0001-9244-7376; McIntosh, Kathryn/0000-0002-8623-403X FU U.S. Department of Energy through the LANL/LDRD Program under Seaborg Institute Postdoctoral Fellowship program; Next Generation Safeguards Initiative (NGSI), Office of Nonproliferation and International Security (NIS), National Nuclear Security Administration (NNSA); National Nuclear Security Administration [DE-AC52-06NA25396. LA-UR-15-20897] FX The authors gratefully acknowledge the contributions of Hakim Boukhalfa and Velma Lopez (LANL) in preparation of the soil samples. The authors also acknowledge the support of the U.S. Department of Energy through the LANL/LDRD Program under the auspices of the Seaborg Institute Postdoctoral Fellowship program, and Next Generation Safeguards Initiative (NGSI), Office of Nonproliferation and International Security (NIS), National Nuclear Security Administration (NNSA). Los Alamos National Laboratory is operated by the Los Alamos National Security, LLC for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. LA-UR-15-20897. NR 22 TC 3 Z9 3 U1 6 U2 25 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0267-9477 EI 1364-5544 J9 J ANAL ATOM SPECTROM JI J. Anal. At. Spectrom. PY 2015 VL 30 IS 7 BP 1511 EP 1517 DI 10.1039/c5ja00068h PG 7 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA CL5AR UT WOS:000356971900005 ER PT J AU Macpherson, GL Phan, TT Stewart, BW AF Macpherson, G. L. Phan, Thai T. Stewart, Brian W. TI Direct determination (without chromatographic separation) of lithium isotopes in saline fluids using MC-ICP-MS: establishing limits on water chemistry SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY LA English DT Article ID PLASMA-MASS SPECTROMETRY; PRECISE DETERMINATION; GULF-COAST; ACCURATE; FRACTIONATION; SEAWATER; RATIOS AB Produced waters from petroleum and geothermal reservoirs contain large amounts of cations including lithium, and while lithium isotopes are time-intensive to measure in the traditional way, they have the potential to reveal information about fluid and solute origins and diagenesis. We tested the effect of added cations that dominate in produced waters (Na, Ca, Mg) on accuracy and precision of lithium isotope measurements by MC-ICP-MS in Li-isotope standard solutions without chromatographic separation. Repeated measurement of Li-isotope standards with no added matrix demonstrate high 2 SD reproducibility: LSVEC (RM8545) had delta Li-7 of 0.04 +/- 0.74 parts per thousand (n = 19); IRMM16 had delta Li-7 of 0.07 +/- 1.2 parts per thousand (n = 11); Li7N had delta Li-7 of 30.07 +/- 0.12 parts per thousand (n = 11); Li6N had delta Li-7 of -8.04 +/- 0.58 parts per thousand (n = 8). Replicates of standards with matrix and of diluted produced waters had 2 SD reproducibility smaller than +/- 1.8 parts per thousand and +/- 2.0 parts per thousand, respectively. Results showed that Na/Li (weight ratio) up to about 500 (analysed aliquot <20 mg kg(-1) Na) and Ca/Li or Mg/Li up to about 250 (analysed aliquot <10 mg kg(-1) Ca or Mg) do not diminish delta Li-7 accuracy or precision, so long as Li concentration in the measured solution is greater than 20 mg kg(-1). Because produced waters are chemically more complex than the added-matrix isotope standards we tested initially, we also compared delta Li-7 in produced waters from which the Li was chromatographically separated, as is the convention, with diluted produced waters. Results show marked Li isotope fractionation occurred in those samples in which Na/Li ranged from 500 to almost 10 000. Geothermal waters and Na-Ca-Cl-type produced waters, therefore, are fluids that are most likely to have cation/Li ratios that will make them amenable to direct determination of delta Li-7 with only sample dilution. We also found that two aliquots of the Li-isotope standard, LSVEC (RM8545), one obtained in 1985 and one in 2012, have delta Li-7 that differs by about 2 parts per thousand. C1 [Macpherson, G. L.] Univ Kansas, Dept Geol, Lawrence, KS 66045 USA. [Phan, Thai T.; Stewart, Brian W.] Univ Pittsburgh, Dept Geol & Planetary Sci, Pittsburgh, PA 15260 USA. [Phan, Thai T.; Stewart, Brian W.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Macpherson, GL (reprint author), Univ Kansas, Dept Geol, 1475 Jayhawk Blvd,Rm 120 Lindley Hall, Lawrence, KS 66045 USA. EM glmac@ku.edu; thaiphan@pitt.edu; bstewart@pitt.edu OI Phan, Thai/0000-0003-2491-749X FU National Energy Technology Laboratory under the RES at the University of Pittsburgh [DE-FE0004000]; University of Kansas Department of Geology; Geology Associates Fund of the KU Endowment Association FX This work was supported by the National Energy Technology Laboratory's ongoing research under the RES contract DE-FE0004000 at the University of Pittsburgh. We are grateful for generous support from the University of Kansas Department of Geology and the Geology Associates Fund of the KU Endowment Association, and for produced-water sample collection by the USGS, DOE-NETL personnel, Bucknell University, and University of Pittsburgh personnel. Dr Karl Schroeder provided logistical support for the project. Dr Andy Wall assisted with analytical procedures, and many students at the University of Pittsburgh assisted with laboratory tasks. Two reviewers helped improve this manuscript. The authors declare no conflict of interest. NR 17 TC 0 Z9 0 U1 5 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0267-9477 EI 1364-5544 J9 J ANAL ATOM SPECTROM JI J. Anal. At. Spectrom. PY 2015 VL 30 IS 7 BP 1673 EP 1678 DI 10.1039/c5ja00060b PG 6 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA CL5AR UT WOS:000356971900024 ER PT J AU Patel, PP Datta, MK Velikokhatnyi, OI Jampani, P Hong, D Poston, JA Manivannand, A Kumta, PN AF Patel, Prasad Prakash Datta, Moni Kanchan Velikokhatnyi, Oleg I. Jampani, Prashanth Hong, Daeho Poston, James A. Manivannand, Ayyakkannu Kumta, Prashant N. TI Nanostructured robust cobalt metal alloy based anode electro-catalysts exhibiting remarkably high performance and durability for proton exchange membrane fuel cells SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID HYDROGEN OXIDATION REACTION; OXYGEN-REDUCTION REACTION; TOTAL-ENERGY CALCULATIONS; CORE-SHELL NANOPARTICLES; ROTATING-DISK ELECTRODE; WAVE BASIS-SET; WATER ELECTROLYSIS; METHANOL ELECTROOXIDATION; TUNGSTEN CARBIDE; CARBON SUPPORT AB In recent years, the development of durable and electrochemically active electro-catalyst alloys with reduced noble metal content exhibiting similar or better electrochemical performance than pure noble metal electrocatalysts has gathered considerablemomentumparticularly, for proton exchange membrane fuel cell (PEMFC) application. Engineering such reduced noble metal containing electro-catalyst alloys in nano-scale dimensions with highly active electrochemical surface area (ECSA) will ultimately translate to reduced noble metal loadings to ultra-low levels which will eventually lead to an overall reduction in the capital cost of PEMFCs. Herein we report the development of nanostructured Co-Ir based solid-solution electro-catalyst alloys for the hydrogen oxidation reaction (HOR) further validated by first principles theoretical calculation of the d band center of the transition metal in the solid solution alloys. The theoretical and experimental studies reported herein demonstrate that the nanostructured alloy electro-catalysts comprising 70 at% Co (Co0.7Ir0.3) and 60 at% Co (Co0.6Ir0.4) of crystallite size similar to 4 nm with a high electrochemically active surface area (ECSA) (similar to 56 m(2) g(-1)) exhibit improved electrochemical activity (reduction in overpotential and improved reaction kinetics) for the HOR combined with outstanding durability in contrast to pure Ir nanoparticles (Ir-NPs) as well as state of the art commercial Pt/C system. Moreover, an optimized alloy containing 60 at% Co (Co0.6Ir0.4) showed a remarkable similar to 156% and 92% higher electro-catalytic activity for the HOR than Ir-NPs and commercial 40% Pt/C, respectively, with similar loading and ECSA. The single PEMFC full cell study also shows similar to 85% improved maximum power density for the Co-0.6(Ir-0.4) electrocatalyst compared to 40% Pt/C and excellent electrochemical stability/durability comparable to 40% Pt/C. C1 [Patel, Prasad Prakash; Kumta, Prashant N.] Univ Pittsburgh, Dept Chem & Petr Engn, Swanson Sch Engn, Pittsburgh, PA 15261 USA. [Datta, Moni Kanchan; Velikokhatnyi, Oleg I.; Jampani, Prashanth; Hong, Daeho; Kumta, Prashant N.] Univ Pittsburgh, Dept Bioengn, Swanson Sch Engn, Pittsburgh, PA 15261 USA. [Datta, Moni Kanchan; Velikokhatnyi, Oleg I.; Kumta, Prashant N.] Univ Pittsburgh, Ctr Complex Engn Multifunct Mat, Pittsburgh, PA 15261 USA. [Poston, James A.; Manivannand, Ayyakkannu] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Kumta, Prashant N.] Univ Pittsburgh, Swanson Sch Engn, Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Kumta, Prashant N.] Univ Pittsburgh, Sch Dent Med, Pittsburgh, PA 15217 USA. RP Kumta, PN (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, Swanson Sch Engn, Pittsburgh, PA 15261 USA. EM pkumta@pitt.edu RI Jampani Hanumantha, Prashanth/A-9840-2013 OI Jampani Hanumantha, Prashanth/0000-0001-7159-1993 FU National Science Foundation, CBET [0933141]; Edward R. Weidlein Chair Professorship funds; Center for Complex Engineered Multifunctional Materials (CCEMM) FX This research in part was supported by the National Science Foundation, CBET - Grant 0933141. PNK acknowledges the Edward R. Weidlein Chair Professorship funds and the Center for Complex Engineered Multifunctional Materials (CCEMM) for support of this research and also for providing the electro-chemical equipment and facilities used in this research work. NR 88 TC 7 Z9 7 U1 7 U2 43 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 2015 VL 3 IS 26 BP 14015 EP 14032 DI 10.1039/c5ta01362c PG 18 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CL3QL UT WOS:000356865300050 ER PT S AU Van Benthem, MH Woodbury, DP AF Van Benthem, Mark H. Woodbury, Drew P. BE Kelmelis, EJ TI An Evaluation of Algorithms and Methods for Compressing and Decompressing Atmospheric Transmission Data for Use in At-Sensor Measurements SO MODELING AND SIMULATION FOR DEFENSE SYSTEMS AND APPLICATIONS X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Modeling and Simulation for Defense Systems and Applications X CY APR 21, 2015 CL Baltimore, MD SP SPIE DE Spectral compression; interpolation; principal component analysis; PCA; atmospheric transmission spectra ID ORDER DATA ARRAYS; VARIABLE SELECTION; B-SPLINES; SPECTRA; REGRESSION AB In this paper, we describe the use of various methods of one-dimensional spectral compression by variable selection as well as principal component analysis (PCA) for compressing multi-dimensional sets of spectral data. We have examined methods of variable selection such as wavelength spacing, spectral derivatives, and spectral integration error. After variable selection, reduced transmission spectra must be decompressed for use. Here we examine various methods of interpolation, e.g., linear, cubic spline and piecewise cubic Hermite interpolating polynomial (PCHIP) to recover the spectra prior to estimating at-sensor radiance. Finally, we compressed multi-dimensional sets of spectral transmittance data from moderate resolution atmospheric transmission (MODTRAN) data using PCA. PCA seeks to find a set of basis spectra (vectors) that model the variance of a data matrix in a linear additive sense. Although MODTRAN data are intricate and are used in nonlinear modeling, their base spectra can be reasonably modeled using PCA yielding excellent results in terms of spectral reconstruction and estimation of at-sensor radiance. The major finding of this work is that PCA can be implemented to compress MODTRAN data with great effect, reducing file size, access time and computational burden while producing high-quality transmission spectra for a given set of input conditions. C1 [Van Benthem, Mark H.; Woodbury, Drew P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Van Benthem, MH (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mhvanbe@sandia.gov; dpwoodb@sandia.gov NR 22 TC 0 Z9 0 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-594-0 J9 PROC SPIE PY 2015 VL 9478 AR 947808 DI 10.1117/12.2176593 PG 14 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BC9NT UT WOS:000356674500006 ER PT S AU Wang, ZH Barnes, CW Kapustinsky, JS Morris, CL Nelson, RO Yang, F Zhang, LY Zhu, RY AF Wang, Zhehui Barnes, Cris W. Kapustinsky, Jon S. Morris, Chris L. Nelson, Ron O. Yang, Fan Zhang, Liyuan Zhu, Ren-Yuan BE Prochazka, I Sobolewski, R James, RB TI Thin scintillators for ultrafast hard X-ray imaging SO PHOTON COUNTING APPLICATIONS 2015 SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Conference on Photon Counting Applications CY APR 13-15, 2015 CL Prague, CZECH REPUBLIC SP SPIE DE GHz X-ray imaging; MCP-PMT detectors; fast scintillators; detection efficiency ID ABSORPTION-EDGE; ZNO; FILMS; GA AB A multilayer thin-scintillator concept is described for ultrafast imaging. The individual layer thickness is determined by the spatial resolution and light attenuation length, the number of layers is determined by the overall efficiency. By coating the scintillators with a high quantum-efficiency photocathode, single X-ray photon detection can be achieved using fast scintillators with low light yield. The fast, efficient sensors, when combined with MCP and novel nanostructed electron amplification schemes, is a possible way towards GHz hard X-ray cameras for a few frames of images. C1 [Wang, Zhehui; Barnes, Cris W.; Kapustinsky, Jon S.; Morris, Chris L.; Nelson, Ron O.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Yang, Fan; Zhang, Liyuan; Zhu, Ren-Yuan] CALTECH, Pasadena, CA 91125 USA. RP Wang, ZH (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM zwang@lanl.gov OI Barnes, Cris/0000-0002-3347-0741; Morris, Christopher/0000-0003-2141-0255 NR 20 TC 0 Z9 0 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-625-1 J9 PROC SPIE PY 2015 VL 9504 AR 95040N DI 10.1117/12.2178420 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC9LO UT WOS:000356607100016 ER PT J AU Karl, RM Barbour, A Komanicky, V Zhu, CH Sandy, A Pierce, MS You, H AF Karl, Robert M. Barbour, Andi Komanicky, Vladimir Zhu, Chenhui Sandy, Alec Pierce, Michael S. You, Hoydoo TI Charge-induced equilibrium dynamics and structure at the Ag(001)-electrolyte interface SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID X-RAY-SCATTERING; SCANNING-TUNNELING-MICROSCOPY; PHOTON-CORRELATION SPECTROSCOPY; SINGLE-CRYSTAL ELECTRODES; UNDERPOTENTIAL DEPOSITION; CYCLIC VOLTAMMETRY; AG(100) ELECTRODE; SURFACE-STRUCTURE; WATER-MOLECULES; DOUBLE-LAYER AB The applied potential dependent rate of atomic step motion of the Ag(001) surface in weak NaF electrolyte has been measured using a new extension of the technique of X-ray Photon Correlation Spectroscopy (XPCS). For applied potentials between hydrogen evolution and oxidation, the surface configuration completely changes on timescales of 10(2)-10(4) seconds depending upon the applied potential. These dynamics, directly measured over large areas of the sample surface simultaneously, are related to the surface energy relative to over or under potential. Concurrent specular X-ray scattering measurements reveal how the ordering of the water layers at the interface correlates with the dynamics. C1 [Karl, Robert M.; Pierce, Michael S.] Rochester Inst Technol, Sch Phys & Astron, Rochester, NY 14623 USA. [Barbour, Andi; Zhu, Chenhui; You, Hoydoo] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Komanicky, Vladimir] Safarik Univ, Fac Sci, Kosice 04001, Slovakia. [Sandy, Alec] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Pierce, MS (reprint author), Rochester Inst Technol, Sch Phys & Astron, Rochester, NY 14623 USA. EM mspsps@rit.edu; you@anl.gov RI You, Hoydoo/A-6201-2011; Pierce, Michael/D-5570-2014 OI You, Hoydoo/0000-0003-2996-9483; Karl, Robert/0000-0002-2955-5507; Pierce, Michael/0000-0002-9209-8556 FU US Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Slovak [VEGA 1/0782/12] FX This work and the use of the Advanced Photon Source were supported by the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The work at Safarik University was supported by Slovak Grant No. VEGA 1/0782/12. Data analysis was conducted using the Large Memory Computer system available through the RIT Research Computing facilities. The authors wish to thank Junghune Nam and Suresh Narayanan for their assistance with the experiments at 8ID of the APS, and Yihua Liu for many useful discussions. NR 50 TC 2 Z9 2 U1 3 U2 14 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 2015 VL 17 IS 26 BP 16682 EP 16687 DI 10.1039/c5cp02138c PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CL3TR UT WOS:000356874000002 PM 26076726 ER PT S AU Rus, B Bakule, P Kramer, D Naylon, J Thoma, J Green, JT Antipenkov, R Fibrich, M Novak, J Batysta, F Mazanec, T Drouin, MA Kasl, K Base, R Peceli, D Koubikova, L Trojek, P Boge, R Lagron, JC Vyhlidka, S Weiss, J Cupal, J Hrebicek, J Hribek, P Durak, M Polan, J Koselja, M Korn, G Horacek, M Horacek, J Himmel, B Havlicek, T Honsa, A Korous, P Laub, M Haefner, C Bayramian, A Spinka, T Marshall, C Johnson, G Telford, S Horner, J Deri, B Metzger, T Schultze, M Mason, P Ertel, K Lintern, A Greenhalgh, J Edwards, C Hernandez-Gomez, C Collier, J Ditmire, T Gaul, E Martinez, M Frederickson, C Hammond, D Malato, C White, W Houzvicka, J AF Rus, B. Bakule, P. Kramer, D. Naylon, J. Thoma, J. Green, J. T. Antipenkov, R. Fibrich, M. Novak, J. Batysta, F. Mazanec, T. Drouin, M. A. Kasl, K. Base, R. Peceli, D. Koubikova, L. Trojek, P. Boge, R. Lagron, J. C. Vyhlidka, S. Weiss, J. Cupal, J. Hrebicek, J. Hribek, P. Durak, M. Polan, J. Koselja, M. Korn, G. Horacek, M. Horacek, J. Himmel, B. Havlicek, T. Honsa, A. Korous, P. Laub, M. Haefner, C. Bayramian, A. Spinka, T. Marshall, C. Johnson, G. Telford, S. Horner, J. Deri, B. Metzger, T. Schultze, M. Mason, P. Ertel, K. Lintern, A. Greenhalgh, J. Edwards, C. Hernandez-Gomez, C. Collier, J. Ditmire, T. Gaul, E. Martinez, M. Frederickson, C. Hammond, D. Malato, C. White, W. Houzvicka, J. BE Korn, G Silva, LO TI ELI-Beamlines: Development of next generation short-pulse laser systems SO RESEARCH USING EXTREME LIGHT: ENTERING NEW FRONTIERS WITH PETAWATT-CLASS LASERS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Research Using Extreme Light - Entering New Frontiers with Petawatt-Class Lasers II CY APR 13-15, 2015 CL Prague, CZECH REPUBLIC SP SPIE DE Diode-Pumped Solid State Lasers (DPSSL); Nd:glass laser; Ti:sapphire laser; OPCPA; Yb:YAG laser ID AMPLIFICATION; AMPLIFIER AB Overview of the laser systems being built for ELI-Beamlines is presented. The facility will make available high-brightness multi-TW ultrashort laser pulses at kHz repetition rate, PW 10 Hz repetition rate pulses, and kilojoule nanosecond pulses for generation of 10 PW peak power. The lasers will extensively employ the emerging technology of diode-pumped solid state lasers (DPSSL) to pump OPCPA and Ti: sapphire broadband amplifiers. These systems will provide the user community with cutting-edge laser resources for programmatic research in generation and applications of high-intensity X-ray sources, in particle acceleration, and in dense-plasma and high-field physics. C1 [Rus, B.; Bakule, P.; Kramer, D.; Naylon, J.; Thoma, J.; Green, J. T.; Antipenkov, R.; Fibrich, M.; Novak, J.; Batysta, F.; Mazanec, T.; Drouin, M. A.; Kasl, K.; Base, R.; Peceli, D.; Koubikova, L.; Trojek, P.; Boge, R.; Lagron, J. C.; Vyhlidka, S.; Weiss, J.; Cupal, J.; Hrebicek, J.; Hribek, P.; Durak, M.; Polan, J.; Koselja, M.; Korn, G.; Horacek, M.; Horacek, J.; Himmel, B.; Havlicek, T.; Honsa, A.; Korous, P.; Laub, M.] Inst Phys Acad Sci CR, ELI Beamlines, Vvi, Prague 18221 8, Czech Republic. [Haefner, C.; Bayramian, A.; Spinka, T.; Marshall, C.; Johnson, G.; Telford, S.; Horner, J.; Deri, B.] Univ Calif Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Metzger, T.; Schultze, M.] TRUMPF Sci Lasers GmbH, D-71254 Ditzingen, Germany. [Mason, P.; Ertel, K.; Lintern, A.; Greenhalgh, J.; Edwards, C.; Hernandez-Gomez, C.; Collier, J.] STFC Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Ditmire, T.; Gaul, E.; Martinez, M.; Frederickson, C.; Hammond, D.; Malato, C.; White, W.; Houzvicka, J.] Natl Energet, Austin, TX 78756 USA. RP Rus, B (reprint author), Inst Phys Acad Sci CR, ELI Beamlines, Vvi, Prague 18221 8, Czech Republic. RI Batysta, Frantisek/H-2229-2014; Kramer, Daniel/D-9840-2011; Bakule, Pavel/D-9812-2011; Trojek, Pavel/I-5431-2014 OI Kramer, Daniel/0000-0003-3885-9198; NR 10 TC 3 Z9 3 U1 7 U2 26 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-636-7 J9 PROC SPIE PY 2015 VL 9515 AR 95150F DI 10.1117/12.2184996 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC9WA UT WOS:000356920800004 ER PT J AU Atanasiu, CV Zakharov, LE Dumitru, D AF Atanasiu, C. V. Zakharov, L. E. Dumitru, D. TI CALCULATION OF THE REACTION OF A 3D THIN WALL TO AN EXTERNAL KINK MODE OF ROTATING PLASMA SO ROMANIAN REPORTS IN PHYSICS LA English DT Article DE Magnetic fusion plasma; tokamak; MHD; instabilities ID RESISTIVE WALL; EDDY CURRENTS; STABILIZATION; STABILITY; FEEDBACK; TOKAMAK AB In this paper we present the response of a 3D thin multiply connected wall to an external kink mode perturbation in axisymmetric tokamak configurations. The necessary computations have been made by using a newly introduced method in the PDE's solving practice: 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. Both approaches have requested the solving of a diffusion type equation, taking into account the contribution of the wall currents themselves iteratively. Our approach has been applied to the investigation of Resistive Wall Modes in tokamaks. C1 [Atanasiu, C. V.; Dumitru, D.] Natl Inst Laser Plasma & Radiat Phys, RO-077125 Magurele, Romania. [Zakharov, L. E.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08540 USA. RP Atanasiu, CV (reprint author), Natl Inst Laser Plasma & Radiat Phys, RO-077125 Magurele, Romania. EM cva@ipp.mpg.de; zakharov@pppl.gov; daniel.dumitru@inflpr.ro NR 28 TC 0 Z9 0 U1 1 U2 1 PU EDITURA ACAD ROMANE PI BUCURESTI PA CALEA 13 SEPTEMBRIE NR 13, SECTOR 5, BUCURESTI 050711, ROMANIA SN 1221-1451 EI 1841-8759 J9 ROM REP PHYS JI Rom. Rep. Phys. PY 2015 VL 67 IS 2 BP 564 EP 572 PG 9 WC Physics, Multidisciplinary SC Physics GA CL2AF UT WOS:000356745300026 ER PT J AU Adhikari, SP Hood, ZD More, KL Ivanov, I Zhang, LF Gross, M Lachgar, A AF Adhikari, Shiba P. Hood, Zachary D. More, Karren L. Ivanov, Ilia Zhang, Lifeng Gross, Michael Lachgar, Abdou TI Visible light assisted photocatalytic hydrogen generation by Ta2O5/Bi2O3, TaON/Bi2O3, and Ta3N5/Bi2O3 composites SO RSC ADVANCES LA English DT Article ID OXYNITRIDE TAON PHOTOANODE; TITANIUM-DIOXIDE; OXIDE COMPOSITES; WATER; SEMICONDUCTOR; DEGRADATION; TA3N5; IRRADIATION; EVOLUTION; DESIGN AB Composites comprised of two semiconducting materials with suitable band gaps and band positions have been reported to be effective at enhancing photocatalytic activity in the visible light region of the electromagnetic spectrum. Here, we report the synthesis, complete structural and physical characterizations, and photocatalytic performance of a series of semiconducting oxide composites. UV light active tantalum oxide (Ta2O5) and visible light active tantalum oxynitride (TaON) and tantalum nitride (Ta3N5) were synthesized, and their composites with Bi2O3 were prepared in situ using benzyl alcohol as solvent. The composite prepared using equimolar amounts of Bi2O3 and Ta2O5 leads to the formation of the ternary oxide, bismuth tantalate (BiTaO4) upon calcination at 1000 degrees C. The composites and single phase bismuth tantalate formed were characterized by powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), Brunauer-Emmett-Teller (BET) surface area measurement, scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV-Vis diffuse reflectance spectroscopy, and photoluminescence. The photocatalytic activities of the catalysts were evaluated for generation of hydrogen using aqueous methanol solution under visible light irradiation (lambda >= 420 nm). The results show that as-prepared composite photocatalysts extend the light absorption range and restrict photogenerated charge-carrier recombination, resulting in enhanced photocatalytic activity compared to individual phases. The mechanism for the enhanced photocatalytic activity for the heterostructured composites is elucidated based on observed activity, band positions calculations, and photoluminescence data. C1 [Adhikari, Shiba P.; Gross, Michael; Lachgar, Abdou] Wake Forest Univ, Dept Chem, Winston Salem, NC 27109 USA. [Adhikari, Shiba P.; Gross, Michael; Lachgar, Abdou] Wake Forest Univ, Ctr Energy Environm & Sustainabil, Winston Salem, NC 27109 USA. [Hood, Zachary D.; More, Karren L.; Ivanov, Ilia] Oak Ridge Natl Lab, CNMS, Oak Ridge, TN 37831 USA. [Zhang, Lifeng] North Carolina A&T State Univ, Joint Sch Nanosci & Nanoengn, Greensboro, NC 27401 USA. RP Lachgar, A (reprint author), Wake Forest Univ, Dept Chem, Winston Salem, NC 27109 USA. EM lachgar@wfu.edu RI More, Karren/A-8097-2016 OI More, Karren/0000-0001-5223-9097 FU Higher Education Research Experiences (HERE) at Oak Ridge National Laboratory; Phase II Triad Interuniversity Project (TIP); WFU Science Research Fund FX A portion of this research was completed as part of a user proposal through ORNL's Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility. Zachary D. Hood was supported by Higher Education Research Experiences (HERE) at Oak Ridge National Laboratory. The authors would like to thank Ms. Nacole King from North Carolina State University, Raleigh, NC for her support regarding diffuse reflectance spectra. Dr. Cynthia Day from Wake Forest University, Department of Chemistry, is acknowledged for temperature-dependent PXRD data collection. Support from Phase II Triad Interuniversity Project (TIP) is also acknowledged. Support from the WFU Science Research Fund is acknowledged. NR 53 TC 7 Z9 7 U1 13 U2 69 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2015 VL 5 IS 68 BP 54998 EP 55005 DI 10.1039/c5ra06563a PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA CL6BH UT WOS:000357051100025 ER PT J AU Agrawal, A Yu, HY Srivastava, S Choudhury, S Narayanan, S Archer, LA AF Agrawal, Akanksha Yu, Hsiu-Yu Srivastava, Samanvaya Choudhury, Snehashis Narayanan, Suresh Archer, Lynden A. TI Dynamics and yielding of binary self-suspended nanoparticle fluids SO SOFT MATTER LA English DT Article ID ORGANIC HYBRID MATERIALS; HARD-SPHERE MIXTURES; X-RAY-SCATTERING; COLLOIDAL GLASSES; PHASE-BEHAVIOR; JAMMING TRANSITION; POLYMER MIXTURES; ZERO-TEMPERATURE; SUSPENSIONS; LIQUID AB Yielding and flow transitions in bi-disperse suspensions of particles are studied using a model system comprised of self-suspended spherical nanoparticles. An important feature of the materials is that the nanoparticles are uniformly dispersed in the absence of a solvent. Addition of larger particles to a suspension of smaller ones is found to soften the suspensions, and in the limit of large size disparities, completely fluidizes the material. We show that these behaviors coincide with a speeding-up of de-correlation dynamics of all particles in the suspensions and are accompanied by a reduction in the energy dissipated at the yielding transition. We discuss our findings in terms of ligand-mediated jamming and un-jamming of hairy particle suspensions. C1 [Agrawal, Akanksha; Srivastava, Samanvaya; Choudhury, Snehashis; Archer, Lynden A.] Cornell Univ, Sch Chem & Biomol Engn, Ithaca, NY 14853 USA. [Yu, Hsiu-Yu] Univ Penn, Dept Chem & Biomol Engn, Philadelphia, PA 19104 USA. [Narayanan, Suresh] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Archer, LA (reprint author), Cornell Univ, Sch Chem & Biomol Engn, Ithaca, NY 14853 USA. EM laa25@cornell.edu RI Srivastava, Samanvaya/J-1977-2012 OI Srivastava, Samanvaya/0000-0002-3519-7224 FU National Science Foundation [DMR-1006323]; King Abdullah University of Science and Technology (KAUST) [KUS-C1-018-02]; U.S. DOE [DE-AC02-06CH11357] FX This work was supported by the National Science Foundation, Award No. DMR-1006323 and by Award No. KUS-C1-018-02, made by King Abdullah University of Science and Technology (KAUST). Use of the Advanced Photon Source, operated by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. We acknowledge Prof. D.L. Koch for helpful discussions. NR 68 TC 6 Z9 6 U1 3 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2015 VL 11 IS 26 BP 5224 EP 5234 DI 10.1039/c5sm00639b PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA CL2VZ UT WOS:000356806200006 PM 26053059 ER PT J AU Sanchez, L Patton, P Anthony, SM Yi, Y Yu, Y AF Sanchez, Lucero Patton, Paul Anthony, Stephen M. Yi, Yi Yu, Yan TI Tracking single-particle rotation during macrophage uptake SO SOFT MATTER LA English DT Article ID OPTICAL NANOPROBES MOONS; JANUS PARTICLES; CELLULAR UPTAKE; LIVING CELLS; LIVE-CELL; DYNAMICS; NANOPARTICLES; PHAGOCYTOSIS; MICROSCOPY; MEMBRANE AB We investigated the rotational dynamics of single microparticles during their internalization by macrophage cells. The microparticles used were triblock patchy particles that display two fluorescent patches on their two poles. The optical anisotropy made it possible to directly visualize and quantify the orientation and rotation of the particles. We show that particles exhibit a mixture of fast and slow rotation as they are uptaken by macrophages and transiently undergo directional rotation during their entry into the cell. The size of the particles and the surface presentation of ligands exerted a negligible influence on this heterogeneity of particle rotation. C1 [Sanchez, Lucero; Patton, Paul; Yi, Yi; Yu, Yan] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. [Anthony, Stephen M.] Sandia Natl Labs, Dept Bioenergy & Def Technol, Albuquerque, NM 87123 USA. RP Yu, Y (reprint author), Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. EM yy33@indiana.edu OI Yu, Yan/0000-0001-6496-5045 FU Indiana University; Graduate Training Program in Quantitative and Chemical Biology [T32GM109825]; Sandia National Laboratories; United States Department of Energy under DOE [DE-ACO4-94AL85000] FX We thank Mr. Jim Powers of the IUB Light Microscopy Imaging Center for fluorescence imaging assistance, and Indiana University for funding. L.S. was supported by the Graduate Training Program in Quantitative and Chemical Biology (T32GM109825) and Indiana University. S.M.A. is currently a postdoctoral researcher supported by Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under DOE contract DE-ACO4-94AL85000. NR 47 TC 5 Z9 5 U1 5 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2015 VL 11 IS 26 BP 5346 EP 5352 DI 10.1039/c5sm00893j PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA CL2VZ UT WOS:000356806200018 PM 26059797 ER PT J AU Shi, H Du, D Xu, JF Su, ZH Peng, QY AF Shi, Han Du, Dong Xu, JianFeng Su, Zhihong Peng, Qiyu TI Design study of dedicated brain PET with polyhedron geometry SO TECHNOLOGY AND HEALTH CARE LA English DT Article DE Positron emission tomography (PET); brain imaging; polyhedron geometry ID SCINTILLATOR; SIMULATION; PERFORMANCE AB BACKGROUND: Despite being the conventional choice, whole body PET cameras with a 76 cm diameter ring are not the optimal means of human brain imaging. OBJECTIVE: In fact, a dedicated brain PET with a better geometrical structure has the potential to achieve a higher sensitivity, a higher signal-to-noise ratio, and a better imaging performance. METHODS: In this study, a polyhedron geometrical dedicated brain PET (a dodecahedron design) is compared to three other candidates via their geometrical efficiencies by calculating the Solid Angle Fractions (SAF); the three other candidates include a spherical cap design, a cylindrical design, and the conventional whole body PET. RESULTS: The spherical cap and the dodecahedron have an identical SAF that is 58.4% higher than that of a 30 cm diameter cylinder and 5.44 times higher than that of a 76 cm diameter cylinder. The conceptual polygon-shape detectors (including pentagon and hexagon detectors based on the PMT-light-sharing scheme instead of the conventional square-shaped block detector module) are presented for the polyhedron PET design. Monte Carlo simulations are performed in order to validate the detector decoding. CONCLUSIONS: The results show that crystals in a pentagon-shape detector can be successfully decoded by Anger Logic. The new detector designs support the polyhedron PET investigation. C1 [Shi, Han; Du, Dong] Tsinghua Univ, Beijing 100084, Peoples R China. [Xu, JianFeng] Huazhong Univ Sci & Technol, Wuhan 430074, Hubei, Peoples R China. [Su, Zhihong] Southern Med Univ, Guangzhou, Guangdong, Peoples R China. [Shi, Han; Peng, Qiyu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Peng, QY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM qpeng@lbl.gov FU China Scholarship Council [201206210102]; International Science and Technology Cooperation Program of China [2013DFB30270] FX This work was supported in part by China Scholarship Council (201206210102), International Science and Technology Cooperation Program of China (2013DFB30270). NR 19 TC 0 Z9 0 U1 0 U2 4 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0928-7329 EI 1878-7401 J9 TECHNOL HEALTH CARE JI Technol. Health Care PY 2015 VL 23 SU 2 BP S615 EP S623 DI 10.3233/THC-151000 PG 9 WC Health Care Sciences & Services; Engineering, Biomedical SC Health Care Sciences & Services; Engineering GA CK9CK UT WOS:000356537900051 PM 26410530 ER PT S AU Azad, AK Chowdhury, DR Chen, HT Taylor, AJ AF Azad, Abul K. Chowdhury, Dibakar Roy Chen, Hou-Tong Taylor, Antoinette J. BE Anwar, MF Crowe, TW Manzur, T TI Tuning of terahertz metamaterials' resonances via near field coupling SO TERAHERTZ PHYSICS, DEVICES, AND SYSTEMS IX: ADVANCED APPLICATIONS IN INDUSTRY AND DEFENSE SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Terahertz Physics, Devices, and Systems IX - Advanced Applications in Industry and Defense CY APR 22-23, 2015 CL Baltimore, MD SP SPIE DE Metamaterials; Terahertz; Ultrafast; Near field coupling AB Electromagnetic metamaterials (MMs) consisting of highly conducting sub-wavelength metallic resonators enable many unusual electromagnetic properties at designed frequencies which are not permissible with the naturally occurring materials. The electromagnetic properties of metamaterial are typically controlled by the clever design of the MM unit cell, often termed as meta-molecule, consisting of metallic split ring resonators (SRRs) or meta-atoms. The near field coupling between meta-atoms plays a vital role in tuning the natural resonances of individual SRR and, therefore, has the ability to modify the far-field radiation properties significantly. It is shown that near field coupling between the meta-atoms could lead to resonance tuning, mode splitting, and ultrafast switching in passive and active resonators. In this article, we present a brief review on tuning the metamaterial properties by active and passive manipulation of near field coupling between neighboring split ring resonators. C1 [Azad, Abul K.; Chowdhury, Dibakar Roy; Chen, Hou-Tong; Taylor, Antoinette J.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Chowdhury, Dibakar Roy] Mahindra Ecole Cent, Hyderabad 500043, Andhra Pradesh, India. RP Azad, AK (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. OI Azad, Abul/0000-0002-7784-7432; Chen, Hou-Tong/0000-0003-2014-7571 NR 18 TC 0 Z9 0 U1 5 U2 13 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-599-5 J9 PROC SPIE PY 2015 VL 9483 AR 94830G DI 10.1117/12.2182969 PG 9 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC9TK UT WOS:000356865100008 ER PT J AU Zhang, R Wang, H Qian, Y Rasch, PJ Easter, RC Ma, PL Singh, B Huang, J Fu, Q AF Zhang, R. Wang, H. Qian, Y. Rasch, P. J. Easter, R. C. Ma, P. -L. Singh, B. Huang, J. Fu, Q. TI Quantifying sources, transport, deposition, and radiative forcing of black carbon over the Himalayas and Tibetan Plateau SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID ASIAN SUMMER MONSOON; LIGHT-ABSORBING PARTICLES; EARTH SYSTEM MODEL; CLIMATE-CHANGE; SNOW COVER; ICE CORE; ATMOSPHERIC CHEMISTRY; GENERAL-CIRCULATION; POLLUTION TRANSPORT; WATER AVAILABILITY AB Black carbon (BC) particles over the Himalayas and Tibetan Plateau (HTP), both airborne and those deposited on snow, have been shown to affect snowmelt and glacier retreat. Since BC over the HTP may originate from a variety of geographical regions and emission sectors, it is essential to quantify the source-receptor relationships of BC in order to understand the contributions of natural and anthropogenic emissions and provide guidance for potential mitigation actions. In this study, we use the Community Atmosphere Model version 5 (CAM5) with a newly developed source-tagging technique, nudged towards the MERRA meteorological reanalysis, to characterize the fate of BC particles emitted from various geographical regions and sectors. Evaluated against observations over the HTP and surrounding regions, the model simulation shows a good agreement in the seasonal variation in the near-surface airborne BC concentrations, providing confidence to use this modeling framework for characterizing BC source-receptor relationships. Our analysis shows that the relative contributions from different geographical regions and source sectors depend on season and location in the HTP. The largest contribution to annual mean BC burden and surface deposition in the entire HTP region is from biofuel and biomass (BB) emissions in South Asia, followed by fossil fuel (FF) emissions from South Asia, then FF from East Asia. The same roles hold for all the seasonal means except for the summer, when East Asia FF becomes more important. For finer receptor regions of interest, South Asia BB and FF have the largest impact on BC in the Himalayas and central Tibetan Plateau, while East Asia FF and BB contribute the most to the northeast plateau in all seasons and southeast plateau in the summer. Central Asia and Middle East FF emissions have relatively more important contributions to BC reaching the northwest plateau, especially in the summer. Although local emissions only contribute about 10% of BC in the HTP, this contribution is extremely sensitive to local emission changes. Lastly, we show that the annual mean radiative forcing (0.42 W m(-2)) due to BC in snow outweighs the BC dimming effect (0.3 W m(-2)) at the surface over the HTP. We also find strong seasonal and spatial variation with a peak value of 5 W m(-2) in the spring over the northwest plateau. Such a large forcing of BC in snow is sufficient to cause earlier snow melting and potentially contribute to the acceleration of glacier retreat. C1 [Zhang, R.; Huang, J.; Fu, Q.] Lanzhou Univ, Coll Atmospher Sci, Minist Educ, Key Lab Semi Arid Climate Change, Lanzhou 730000, Peoples R China. [Zhang, R.; Wang, H.; Qian, Y.; Rasch, P. J.; Easter, R. C.; Ma, P. -L.; Singh, B.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Zhang, R.; Fu, Q.] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. RP Wang, H (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM hailong.wang@pnnl.gov RI qian, yun/E-1845-2011; Ma, Po-Lun/G-7129-2015; Wang, Hailong/B-8061-2010 OI Ma, Po-Lun/0000-0003-3109-5316; Wang, Hailong/0000-0002-1994-4402 FU U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research; DOE by Battelle Memorial Institute [DE-AC05-76RLO1830]; National Science Foundation; DOE Office of Science; China Scholarship Fund; National Basic Research Program of China [2012CB955303]; NSFC [41275070]; China 111 project [B13045] FX This research is based on work supported by the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research as part of the Earth System Modeling Program. The Pacific Northwest National Laboratory (PNNL) is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RLO1830. The CESM project is supported by the National Science Foundation and the DOE Office of Science. R. Zhang acknowledges support from the China Scholarship Fund. J. Huang and Q. Fu acknowledge support from the National Basic Research Program of China (2012CB955303), NSFC grant 41275070, and the China 111 project (no. B13045). Computational resources were provided by the National Energy Research Scientific Computing Center (NERSC), a national scientific user facility located at Lawrence Berkeley National Laboratory in Berkeley, California. NERSC is the flagship scientific computing facility for the Office of Science of DOE. NR 94 TC 15 Z9 16 U1 6 U2 40 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 11 BP 6205 EP 6223 DI 10.5194/acp-15-6205-2015 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CK4GG UT WOS:000356180900013 ER PT J AU Gu, L Pallardy, SG Hosman, KP Sun, Y AF Gu, L. Pallardy, S. G. Hosman, K. P. Sun, Y. TI Drought-influenced mortality of tree species with different predawn leaf water dynamics in a decade-long study of a central US forest SO BIOGEOSCIENCES LA English DT Article ID VEGETATION MORTALITY; WOODY ANGIOSPERMS; CENTRAL MISSOURI; XYLEM EMBOLISM; DIE-OFF; DECIDUOUS ANGIOSPERMS; SOUTHEASTERN OHIO; STOMATAL CONTROL; OZARK HIGHLANDS; UNITED-STATES AB Using decade-long continuous observations of tree mortality and predawn leaf water potential (psi(pd)) at the Missouri Ozark AmeriFlux (MOFLUX) site, we studied how the mortality of important tree species varied and how such variations may be predicted. Water stress determined inter-annual variations in tree mortality with a time delay of 1 year or more, which was correlated fairly tightly with a number of quantitative predictors formulated based on psi(pd) and precipitation regimes. Predictors based on temperature and vapor pressure deficit anomalies worked reasonably well, particularly for moderate droughts. The exceptional drought of the year 2012 drastically increased the mortality of all species, including drought-tolerant oaks, in the subsequent year. The drought-influenced tree mortality was related to the species position along the spectrum of psi(pd) regulation capacity with those in either ends of the spectrum being associated with elevated risk of death. Regardless of species and drought intensity, the psi(pd) of all species recovered rapidly after sufficiently intense rain events in all droughts. This result, together with a lack of immediate leaf and branch desiccation, suggests an absence of catastrophic hydraulic disconnection in the xylem and that tree death was caused by significant but indirect effects. Species differences in the capacity of regulating psi(pd) and its temporal integral were magnified under moderate drought intensities but diminished towards wet and dry extremes. Severe droughts may overwhelm the capacity of even drought-tolerant species to maintain differential levels of water potential as the soil becomes exhausted of available water in the rooting zone, thus rendering them more susceptible to death if predisposed by other factors such as age. C1 [Gu, L.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Gu, L.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Pallardy, S. G.; Hosman, K. P.] Univ Missouri, Dept Forestry, Columbia, MO 65211 USA. [Sun, Y.] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA. RP Gu, L (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM lianhong-gu@ornl.gov RI Sun, Ying/G-6611-2016; Gu, Lianhong/H-8241-2014 OI Gu, Lianhong/0000-0001-5756-8738 FU US Department of Energy, Office of Science, Office of Biological and Environmental Research Program, Climate and Environmental Sciences Division; US Department of Energy [DE-AC05-00OR22725, DE-FG02-03ER63683] FX We thank Renee Marchin, Trevor Keenan, Jason Hubbart and two anonymous referees for critical comments and constructive suggestions. This material is based upon work supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research Program, Climate and Environmental Sciences Division. ORNL is managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. US Department of Energy support for the University of Missouri (grant DE-FG02-03ER63683) is gratefully acknowledged. NR 84 TC 11 Z9 11 U1 7 U2 35 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 EI 1726-4189 J9 BIOGEOSCIENCES JI Biogeosciences PY 2015 VL 12 IS 10 BP 2831 EP 2845 DI 10.5194/bg-12-2831-2015 PG 15 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA CK4FW UT WOS:000356179300001 ER PT J AU Bohn, TJ Melton, JR Ito, A Kleinen, T Spahni, R Stocker, BD Zhang, B Zhu, X Schroeder, R Glagolev, MV Maksyutov, S Brovkin, V Chen, G Denisov, SN Eliseev, AV Gallego-Sala, A McDonald, KC Rawlins, MA Riley, WJ Subin, ZM Tian, H Zhuang, Q Kaplan, JO AF Bohn, T. J. Melton, J. R. Ito, A. Kleinen, T. Spahni, R. Stocker, B. D. Zhang, B. Zhu, X. Schroeder, R. Glagolev, M. V. Maksyutov, S. Brovkin, V. Chen, G. Denisov, S. N. Eliseev, A. V. Gallego-Sala, A. McDonald, K. C. Rawlins, M. A. Riley, W. J. Subin, Z. M. Tian, H. Zhuang, Q. Kaplan, J. O. TI WETCHIMP-WSL: intercomparison of wetland methane emissions models over West Siberia SO BIOGEOSCIENCES LA English DT Article ID NORTHERN HIGH-LATITUDES; TERRESTRIAL ECOSYSTEMS; BIOGEOCHEMISTRY MODEL; ATMOSPHERIC METHANE; PERMAFROST CARBON; CLIMATE-CHANGE; NATURAL WETLANDS; WINTER FLUXES; CH4 EMISSIONS; EARTH SYSTEM AB Wetlands are the world's largest natural source of methane, a powerful greenhouse gas. The strong sensitivity of methane emissions to environmental factors such as soil temperature and moisture has led to concerns about potential positive feedbacks to climate change. This risk is particularly relevant at high latitudes, which have experienced pronounced warming and where thawing permafrost could potentially liberate large amounts of labile carbon over the next 100 years. However, global models disagree as to the magnitude and spatial distribution of emissions, due to uncertainties in wetland area and emissions per unit area and a scarcity of in situ observations. Recent intensive field campaigns across the West Siberian Lowland (WSL) make this an ideal region over which to assess the performance of large-scale process-based wetland models in a high-latitude environment. Here we present the results of a follow-up to the Wetland and Wetland CH4 Intercomparison of Models Project (WETCHIMP), focused on the West Siberian Lowland (WETCHIMP-WSL). We assessed 21 models and 5 inversions over this domain in terms of total CH4 emissions, simulated wetland areas, and CH4 fluxes per unit wetland area and compared these results to an intensive in situ CH4 flux data set, several wetland maps, and two satellite surface water products. We found that (a) despite the large scatter of individual estimates, 12-year mean estimates of annual total emissions over the WSL from forward models (5.34 +/- 0.54 TgCH(4) yr(-1)), inversions (6.06 +/- 1.22 TgCH(4) yr(-1)), and in situ observations (3.91 +/- 1.29 TgCH(4) yr(-1)) largely agreed; (b) forward models using surface water products alone to estimate wetland areas suffered from severe biases in CH4 emissions; (c) the interannual time series of models that lacked either soil thermal physics appropriate to the high latitudes or realistic emissions from unsaturated peatlands tended to be dominated by a single environmental driver (inundation or air temperature), unlike those of inversions and more sophisticated forward models; (d) differences in biogeochemical schemes across models had relatively smaller influence over performance; and (e) multiyear or multidecade observational records are crucial for evaluating models' responses to long-term climate change. C1 [Bohn, T. J.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85281 USA. [Melton, J. R.] Environm Canada, Canadian Ctr Climate Modelling & Anal, Victoria, BC, Canada. [Ito, A.; Maksyutov, S.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan. [Kleinen, T.; Brovkin, V.] Max Planck Inst Meteorol, D-20146 Hamburg, Germany. [Spahni, R.; Stocker, B. D.] Univ Bern, Inst Phys, Climate & Environm Phys, Bern, Switzerland. [Spahni, R.] Univ Bern, Oeschger Ctr Climate Change Res, Bern, Switzerland. [Stocker, B. D.] Univ London Imperial Coll Sci Technol & Med, Dept Life Sci, Ascot, Berks, England. [Zhang, B.; Tian, H.] Auburn Univ, Int Ctr Climate & Global Change Res, Auburn, AL 36849 USA. [Zhang, B.; Tian, H.] Auburn Univ, Sch Forestry & Wildlife Sci, Auburn, AL 36849 USA. [Zhu, X.; Zhuang, Q.] Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA. [Zhu, X.] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Zhu, X.; Riley, W. J.; Subin, Z. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Schroeder, R.; McDonald, K. C.] CUNY City Coll, New York, NY 10031 USA. [Schroeder, R.] Univ Hohenheim, Inst Bot, Stuttgart, Germany. [Glagolev, M. V.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Glagolev, M. V.] Russian Acad Sci, Inst Forest Sci, Uspenskoye, Russia. [Glagolev, M. V.; Maksyutov, S.] Tomsk State Univ, Lab Computat Geophys, Tomsk 634050, Russia. [Glagolev, M. V.] Yugra State Univ, Khanty Mantsiysk, Russia. [Chen, G.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Denisov, S. N.; Eliseev, A. V.] Russian Acad Sci, AM Obukhov Inst Atmospher Phys, Moscow, Russia. [Eliseev, A. V.] Kazan Fed Univ, Kazan, Russia. [Gallego-Sala, A.] Univ Exeter, Dept Geog, Exeter EX4 4RJ, Devon, England. [Rawlins, M. A.] Univ Massachusetts, Dept Geosci, Amherst, MA 01003 USA. [Kaplan, J. O.] Univ Lausanne, Inst Earth Surface Dynam, Lausanne, Switzerland. RP Bohn, TJ (reprint author), Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85281 USA. EM theodore.bohn@asu.edu RI Brovkin, Victor/I-7450-2012; Tian, Hanqin/A-6484-2012; Maksyutov, Shamil/G-6494-2011; Riley, William/D-3345-2015; Brovkin, Victor/C-2803-2016; Kaplan, Jed/P-1796-2015; Eliseev, Alexey V./L-8707-2013; Denisov, Sergey/N-2700-2013; Stocker, Benjamin/K-3194-2015; OI Zhang, Bowen/0000-0002-8370-0509; Tian, Hanqin/0000-0002-1806-4091; Maksyutov, Shamil/0000-0002-1200-9577; Riley, William/0000-0002-4615-2304; Brovkin, Victor/0000-0001-6420-3198; Kaplan, Jed/0000-0001-9919-7613; Eliseev, Alexey V./0000-0001-7288-7649; Stocker, Benjamin/0000-0003-2697-9096; Bohn, Theodore/0000-0002-1880-9129; Melton, Joe/0000-0002-9414-064X FU COST Action TERRABITES [ES0804]; NASA from the Northern Eurasian Earth Science Partnership Initiative (NEESPI) [NNX11AR16G]; US National Science Foundation (NSF) Science, Engineering and Education for Sustainability (SEES) Post-Doctoral Fellowship program [1216037]; National Science and Engineering Research Council of Canada (NSERC); German Ministry of Education and Research (CarboPerm-Project, BMBF) [03G0836C]; Swiss National Science Foundation; European Commission [243908]; ERC FP7 project EMBRACE [282672]; US National Science Foundation [EaSM: AGS-1243220]; US Department of Energy [DE-SC0007007, DE-AC02-05CH11231]; Tomsk State University Competitiveness Improvement Program; Environment Research and Technology Development Fund (ERTDF), Ministry of Environment Japan [A-1202]; Russian President grant [NSh-3894.2014.5]; Russian Foundation for Basic Research [15-05-02457]; Natural Environment Research Council grant (NERC) [NE/I012915/1] FX The WETCHIMP project received support for collaboration from the COST Action TERRABITES (ES0804). We thank Dennis P. Lettenmaier at the University of Washington and NASA grant NNX11AR16G from the Northern Eurasian Earth Science Partnership Initiative (NEESPI) for the use of computational resources. T. J. Bohn was supported by grant 1216037 from the US National Science Foundation (NSF) Science, Engineering and Education for Sustainability (SEES) Post-Doctoral Fellowship program. J. R. Melton was supported by a National Science and Engineering Research Council of Canada (NSERC) visiting Post-Doctoral Fellowship. T. Kleinen was supported by the German Ministry of Education and Research (CarboPerm-Project, BMBF Grant No. 03G0836C). R. Spahni was supported by the Swiss National Science Foundation and by the European Commission through the FP7 project Past4Future (grant No. 243908). B. D. Stocker was supported by ERC FP7 project EMBRACE (grant No. 282672). H. Tian and B. Zhang were supported by US National Science Foundation (EaSM: AGS-1243220). Q. Zhuang and X. Zhu were supported by the US Department of Energy with project No. DE-SC0007007. M. V. Glagolev was supported by a grant in accordance with the Tomsk State University Competitiveness Improvement Program. S. Maksyutov was supported by Grant A-1202 of Environment Research and Technology Development Fund (ERTDF), Ministry of Environment Japan. S. N. Denisov and A. V. Eliseev were supported by the Russian President grant NSh-3894.2014.5 and by the Russian Foundation for Basic Research grant 15-05-02457. A. Gallego-Sala was supported by a Natural Environment Research Council grant (NERC Standard grant NE/I012915/1). W. J. Riley and Z. M. Subin were supported by the US Department of Energy contract No. DE-AC02-05CH11231 under the Regional and Global Climate Modeling (RGCM) Program and the Next-Generation Ecosystem Experiments (NGEE Arctic) project. We thank Ben Poulter, at Montana State University, and Elke Hodson, at the US Department of Energy, for the results of LPJ-WSL. We thank Rita Wania for the results of LPJ-WhyMe. We thank Bruno Ringeval, at the Institut National de la Recherche Agronomique, France, for the results of ORCHIDEE. We thank Peter Hopcroft and Joy Singarayer, at University of Bristol, UK, for the results of SDGVM. We thank A. Anthony Bloom, at the University of Edinburgh, UK, for the Bloom et al. (2010) inversion. We thank Philippe Bousquet, at the Laboratoire des Sciences du Climat et de l'Environnement, France, for the Reference and Kaplan inversions from Bousquet et al. (2011). We thank Catherine Prigent, at the Observatoire de Paris, France, and Fabrice Papa, at the Laboratoire d'Etudes en Geophysique et Oceanographie Spatiales, France, for the GIEMS data set. We thank Laurence Smith at the University of California, Los Angeles, for the Sheng et al. (2004) data set. We thank Anna Peregon, at Laboratoire des Sciences du Climat et de l'Environnement, France, for the Peregon et al. (2008) data set. We thank Elaine Matthews, at NASA/Goddard Institute for Space Studies, for valuable feedback. NR 119 TC 19 Z9 19 U1 4 U2 32 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 EI 1726-4189 J9 BIOGEOSCIENCES JI Biogeosciences PY 2015 VL 12 IS 11 BP 3321 EP 3349 DI 10.5194/bg-12-3321-2015 PG 29 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA CK4FZ UT WOS:000356179800011 ER PT J AU Hines, WC Thi, K Rojec, M Stanford-Moore, G Bissell, MJ AF Hines, William C. Thi, Kate Rojec, Maria Stanford-Moore, Gaelen Bissell, Mina J. TI A cytometric atlas of the human breast: Comprehensive characterization reveals 12 distinct cell populations SO CANCER RESEARCH LA English DT Meeting Abstract CT AACR Special Conference on Cellular Heterogeneity in the Tumor Microenvironment CY FEB 26-MAR 01, 2014 CL San Diego, CA SP AACR C1 [Hines, William C.; Thi, Kate; Rojec, Maria; Stanford-Moore, Gaelen; Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 EI 1538-7445 J9 CANCER RES JI Cancer Res. PD JAN 1 PY 2015 VL 75 IS 1 SU S MA B86 DI 10.1158/1538-7445.CHTME14-B86 PG 1 WC Oncology SC Oncology GA CL0JZ UT WOS:000356630300123 ER PT J AU Soltau, SR Niklas, J Dahlberg, PD Poluektov, OG Tiede, DM Mulfort, KL Utschig, LM AF Soltau, S. R. Niklas, J. Dahlberg, P. D. Poluektov, O. G. Tiede, D. M. Mulfort, K. L. Utschig, L. M. TI Aqueous light driven hydrogen production by a Ru-ferredoxin-Co biohybrid SO CHEMICAL COMMUNICATIONS LA English DT Article ID ELECTRON-SPIN-RESONANCE; VISIBLE-LIGHT; PHOTOSYSTEM-I; CATALYST; COBALOXIME; EVOLUTION; COMPLEX; REDUCTION; WATER; EPR AB Herein we report the creation of a novel solar fuel biohybrid for light-driven H-2 production utilizing the native electron transfer protein ferredoxin (Fd) as a scaffold for binding of a ruthenium photosensitizer (PS) and a molecular cobaloxime catalyst (Co). EPR and transient optical experiments provide direct evidence of a longlived (41.5 ms) Ru(III)-Fd-Co(I) charge separated state formed via an electron relay through the Fd [2Fe-2S] cluster, initiating the catalytic cycle for 2H(+) + 2e(-) -> H-2. C1 [Soltau, S. R.; Niklas, J.; Dahlberg, P. D.; Poluektov, O. G.; Tiede, D. M.; Mulfort, K. L.; Utschig, L. M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Dahlberg, P. D.] Univ Chicago, Grad Program Biophys, Chicago, IL 60637 USA. RP Utschig, LM (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. EM utschig@anl.gov RI Niklas, Jens/I-8598-2016 OI Niklas, Jens/0000-0002-6462-2680 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357] FX This work is supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC02-06CH11357. This work was performed, in part (full TA spectra), at the Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract No. DE-AC02-06CH11357. NR 36 TC 10 Z9 10 U1 5 U2 27 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 53 BP 10628 EP 10631 DI 10.1039/c5cc03006d PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CK7YM UT WOS:000356453200008 PM 26051070 ER PT J AU Xi, LL Qiu, YT Shi, X Zhang, WQ Chen, LD Singh, DJ Yang, JH AF Xi, Lili Qiu, Yuting Shi, Xun Zhang, Wenqing Chen, Lidong Singh, David J. Yang, Jihui TI Defect-enhanced void filling and novel filled phases of open-structure skutterudites SO CHEMICAL COMMUNICATIONS LA English DT Article ID CONTAINING THERMOELECTRIC SKUTTERUDITES; TRANSPORT-PROPERTIES; COMPOUND DEFECTS; GA; PERFORMANCE; BARIUM; FIGURE; COSB3; MERIT AB We report the design of novel filled CoSb3 skutterudite phases based on a combination of filling and Sb-substituted Ga/In defects. Ga/In doped skutterudite phases with Li-, Nd-, and Sm-fillings can be formed via this strategy, which can have relatively wider ranges of carrier concentration than other conventional filled skutterudite phases. C1 [Xi, Lili; Qiu, Yuting; Shi, Xun; Zhang, Wenqing; Chen, Lidong] Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China. [Zhang, Wenqing] Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China. [Singh, David J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Yang, Jihui] Univ Washington, Mat Sci & Engn Dept, Seattle, WA 98195 USA. RP Xi, LL (reprint author), Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, 1295 Dingxi Rd, Shanghai 200050, Peoples R China. EM lilyxi2006@mail.sic.ac.cn RI shi, xun/B-4499-2009; Zhang, Wenqing/K-1236-2012; Chen, Lidong/F-2705-2010 OI shi, xun/0000-0002-3806-0303; FU National Basic Research Program (973-program) of China [2013CB632501]; NSFC [11234012, 51121064, 11204333]; Key Research Program of Chinese Academy of Sciences [KGZD-EW-T06]; Department of Energy, Office of Science, Basic Energy Sciences, through the S3TEC Energy Frontier Research Centre; U.S. Department of Energy [DE-FC26-04NT42278]; GM; National Science Foundation [1235535] FX This work is partially supported by the National Basic Research Program (973-program) of China under Project No. 2013CB632501, NSFC Grants (11234012, 51121064, and 11204333), and the Key Research Program of Chinese Academy of Sciences (Grant No. KGZD-EW-T06). Work at ORNL was supported by the Department of Energy, Office of Science, Basic Energy Sciences, through the S3TEC Energy Frontier Research Centre. Work at UW was supported by U.S. Department of Energy under Corporate Agreement No. DE-FC26-04NT42278, by GM, and by the National Science Foundation under Award No. 1235535. NR 38 TC 6 Z9 6 U1 6 U2 41 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 54 BP 10823 EP 10826 DI 10.1039/c5cc03111g PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CL1PU UT WOS:000356717000007 PM 26051819 ER PT J AU Yuan, S Liu, TF Feng, DW Tian, J Wang, KC Qin, JS Zhang, Q Chen, YP Bosch, M Zou, LF Teat, SJ Dalgarno, SJ Zhou, HC AF Yuan, Shuai Liu, Tian-Fu Feng, Dawei Tian, Jian Wang, Kecheng Qin, Junsheng Zhang, Qiang Chen, Ying-Pin Bosch, Mathieu Zou, Lanfang Teat, Simon J. Dalgarno, Scott J. Zhou, Hong-Cai TI A single crystalline porphyrinic titanium metal-organic framework SO CHEMICAL SCIENCE LA English DT Article ID FUNCTIONAL-GROUPS; CARBON-DIOXIDE; PHOTOCATALYSIS; TIO2; EFFICIENT; CATALYST AB We successfully assembled the photocatalytic titanium-oxo cluster and photosensitizing porphyrinic linker into a metal-organic framework (MOF), namely PCN-22. A preformed titanium-oxo carboxylate cluster is adopted as the starting material to judiciously control the MOF growth process to afford single crystals. This synthetic method is useful to obtain highly crystalline titanium MOFs, which has been a daunting challenge in this field. Moreover, PCN-22 demonstrated permanent porosity and photocatalytic activities toward alcohol oxidation. C1 [Yuan, Shuai; Liu, Tian-Fu; Feng, Dawei; Tian, Jian; Wang, Kecheng; Qin, Junsheng; Zhang, Qiang; Chen, Ying-Pin; Bosch, Mathieu; Zou, Lanfang; Zhou, Hong-Cai] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA. [Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. [Dalgarno, Scott J.] Heriot Watt Univ Riccarton, Inst Chem Sci, Edinburgh EH14 4AS, Midlothian, Scotland. RP Zhou, HC (reprint author), Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA. EM zhou@chem.tamu.edu RI Tian, Jian/I-8637-2012; Yuan, Shuai/I-5226-2013; Dalgarno, Scott/A-7358-2010; Feng, Dawei /S-4070-2016; Zhou, Hong-Cai/A-3009-2011 OI Bosch, Mathieu/0000-0002-7284-0602; Yuan, Shuai/0000-0003-3329-0481; Dalgarno, Scott/0000-0001-7831-012X; Zhou, Hong-Cai/0000-0002-9029-3788 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]; Office of Naval Research [N000141310753]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy [DE-AR0000249]; Welch Foundation [A-1725] FX The photophysical studies of this research was supported by 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. Structural analyses were supported by Office of Naval Research under Award Number N000141310753. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. The authors also acknowledge the financial supports of ARPA-e project funded by the U.S. Department of Energy under Award Number DE-AR0000249 and Welch Foundation under Award Number A-1725. NR 40 TC 20 Z9 20 U1 28 U2 146 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 2015 VL 6 IS 7 BP 3926 EP 3930 DI 10.1039/c5sc00916b PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA CK4FE UT WOS:000356176200033 ER PT J AU Knight, AS Zhou, EY Francis, MB AF Knight, Abigail S. Zhou, Effie Y. Francis, Matthew B. TI Development of peptoid-based ligands for the removal of cadmium from biological media SO CHEMICAL SCIENCE LA English DT Article ID METAL-BINDING; COMBINATORIAL LIBRARIES; SIDE-CHAINS; COMPLEXES; DISCOVERY; OLIGOMERS; CARCINOGENESIS; CHELATION; SELECTION; STRESS AB Cadmium poisoning poses a serious health concern due to cadmium's increasing industrial use, yet there is currently no recommended treatment. The selective coordination of cadmium in a biological environment-i.e. in the presence of serum ions, small molecules, and proteins-is a difficult task. To address this challenge, a combinatorial library of peptoid-based ligands has been evaluated to identify structures that selectively bind to cadmium in human serum with minimal chelation of essential metal ions. Eighteen unique ligands were identified in this screening procedure, and the binding affinity of each was measured using metal titrations monitored by UV-vis spectroscopy. To evaluate the significance of each chelating moiety, sequence rearrangements and substitutions were examined. Analysis of a metalligand complex by NMR spectroscopy highlighted the importance of particular residues. Depletion experiments were performed in serum mimetics and human serum with exogenously added cadmium. These depletion experiments were used to compare and demonstrate the ability of these peptoids to remove cadmium from blood-like mixtures. In one of these depletion experiments, the peptoid sequence was able to deplete the cadmium to a level comparable to the reported acute toxicity limit. Evaluation of the metal selectivity in buffered solution and in human serum was performed to verify minimal off-target binding. These studies highlight a screening platform for the identification of metalligands that are capable of binding in a complex environment. They additionally demonstrate the potential utility of biologically-compatible ligands for the treatment of heavy metal poisoning. C1 [Knight, Abigail S.; Zhou, Effie Y.; Francis, Matthew B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Francis, Matthew B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Francis, MB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mbfrancis@berkeley.edu RI Foundry, Molecular/G-9968-2014 FU NSF [CHE 1059083]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Berkeley Chemical Biology Graduate Program (NIH) [1 T32 GMO66698]; Philomathia Fellowship in Environmental Sciences; UC Berkeley Chemistry Department; National Institutes of Health [GM68933] FX Funding for this work was generously provided by the NSF (CHE 1059083). Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. Additionally, Dr Ronald Zuckermann and Michael Connolly at the LNBL Molecular Foundry are gratefully acknowledged for instrumentation support and helpful advice. Vivian Lin, Carl Onak, and Joel Finbloom are acknowledged for experimental expertise. A.S.K. was supported by the Berkeley Chemical Biology Graduate Program (NIH Training Grant 1 T32 GMO66698) and a Philomathia Fellowship in Environmental Sciences. Summer stipend support for E.Y.Z. was provided by the UC Berkeley Chemistry Department. We also acknowledge support for the Central California 900 MHz NMR facility through grant GM68933 from the National Institutes of Health. NR 42 TC 7 Z9 7 U1 1 U2 14 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 2015 VL 6 IS 7 BP 4042 EP 4048 DI 10.1039/c5sc00676g PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA CK4FE UT WOS:000356176200046 ER PT J AU Zhang, TT Lei, WY Liu, P Rodriguez, JA Yu, JG Qi, Y Liu, G Liu, MH AF Zhang, Tingting Lei, Wanying Liu, Ping Rodriguez, Jose A. Yu, Jiaguo Qi, Yang Liu, Gang Liu, Minghua TI Insights into the structure-photoreactivity relationships in well-defined perovskite ferroelectric KNbO3 nanowires SO CHEMICAL SCIENCE LA English DT Article ID SURFACE-PLASMON RESONANCE; VISIBLE-LIGHT; PHOTOCATALYTIC ACTIVITY; HYDROGEN GENERATION; ROOM-TEMPERATURE; ATOMIC-SCALE; SOLAR-LIGHT; WATER; FACETS; DECOLORIZATION AB Structure-function correlations are a central theme in heterogeneous (photo) catalysis. In this study, the geometric and electronic structure of perovskite ferroelectric KNbO3 nanowires with respective orthorhombic and monoclinic polymorphs have been systematically addressed. By virtue of aberration-corrected scanning transmission electron microscopy, we directly visualize surface photocatalytic active sites, measure local atomic displacements at an accuracy of several picometers, and quantify ferroelectric polarization combined with first-principles calculations. The photoreactivity of the as-prepared KNbO3 nanowires is assessed toward aqueous rhodamine B degradation under UV light. A synergy between the ferroelectric polarization and electronic structure in photoreactivity enhancement is uncovered, which accounts for the prominent reactivity order: orthorhombic > monoclinic. Additionally, by identifying new photocatalytic products, rhodamine B degradation pathways involving N-deethylation and conjugated structure cleavage are proposed. Our findings not only provide new insights into the structure-photoreactivity relationships in perovskite ferroelectric photocatalysts, but also have broad implications in perovskite-based water splitting and photovoltaics, among others. C1 [Zhang, Tingting; Lei, Wanying; Liu, Gang; Liu, Minghua] Natl Ctr Nanosci & Technol, Beijing 100190, Peoples R China. [Zhang, Tingting; Qi, Yang] Northeastern Univ, Sch Sci, Inst Mat Phys & Chem, Shenyang 110004, Peoples R China. [Liu, Ping; Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Yu, Jiaguo] Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China. RP Liu, G (reprint author), Natl Ctr Nanosci & Technol, Beijing 100190, Peoples R China. EM liug@nanoctr.cn; liuminghua@nanoctr.cn RI Yu, jiaguo/G-4317-2010; Zhang, Tingting/N-9698-2015; qi, yang/H-8625-2016 OI Yu, jiaguo/0000-0002-0612-8633; qi, yang/0000-0003-1915-474X FU National Natural Science Foundation of China [51272048, 51172040]; Ministry of Science and Technology of China (973 Program) [2013CB632402] FX We thank Prof. Jincai Zhao (Institute of Chemistry, CAS) and Prof. Lin Gu (Institute of Physics, CAS) for fruitful discussions. We also thank Prof. Jiaou Wang and Tao Lei for their help in the acquisition of XANES data at Beijing Synchrotron Radiation Facility of Institute of High Energy Physics, CAS. This work was supported by the National Natural Science Foundation of China (51272048, 51172040) and the Ministry of Science and Technology of China (973 Program, 2013CB632402). NR 57 TC 13 Z9 13 U1 13 U2 96 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 2015 VL 6 IS 7 BP 4118 EP 4123 DI 10.1039/c5sc00766f PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA CK4FE UT WOS:000356176200057 ER PT J AU Chang, CJ Gunnlaugsson, T James, TD AF Chang, Christopher J. Gunnlaugsson, Thorfinnur James, Tony D. TI Sensor targets SO CHEMICAL SOCIETY REVIEWS LA English DT Editorial Material C1 [Chang, Christopher J.] Univ Calif Berkeley, Howard Hughes Med Inst, Helen Wills Neurosci Inst, Dept Chem,Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Chang, Christopher J.] Univ Calif Berkeley, Howard Hughes Med Inst, Helen Wills Neurosci Inst, Dept Mol & Cell Biol,Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Gunnlaugsson, Thorfinnur] Univ Dublin, Trinity Coll Dublin, Trinity Biomed Sci Inst, Sch Chem, Dublin 2, Ireland. [James, Tony D.] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. RP Chang, CJ (reprint author), Univ Calif Berkeley, Howard Hughes Med Inst, Helen Wills Neurosci Inst, Dept Chem,Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM chrischang@berkeley.edu; gunnlaut@tcd.ie; t.d.james@bath.ac.uk RI James, Tony/B-5125-2009; OI James, Tony/0000-0002-4095-2191; Gunnlaugsson, Thorfinnur/0000-0003-4814-6853 FU Howard Hughes Medical Institute NR 10 TC 18 Z9 18 U1 4 U2 16 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 EI 1460-4744 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2015 VL 44 IS 13 BP 4176 EP 4178 DI 10.1039/c5cs90058a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA CL0DU UT WOS:000356610100001 PM 26065648 ER PT J AU Wang, H Senguttuvan, P Proffit, DL Pan, BF Liao, C Burrell, AK Vaughey, JT Key, B AF Wang, Hao Senguttuvan, Premkumar Proffit, Danielle L. Pan, Baofei Liao, Chen Burrell, Anthony K. Vaughey, John T. Key, Baris TI Formation of MgO during Chemical Magnesiation of Mg-Ion Battery Materials SO ECS ELECTROCHEMISTRY LETTERS LA English DT Article ID ALPHA-MANGANESE-DIOXIDE; RECHARGEABLE BATTERIES; CATHODE MATERIALS; CRYSTAL-STRUCTURE; LITHIUM; CHALLENGE; INSERTION; OXIDES; V2O5 AB Chemical magnesiation of alpha-MnO2, V2O5, Mo6S8 and h-TiO2 using di-n-butylmagnesium/heptane and diphenylmagnesium/THF has been studied using a combination of long range (XRD) and short range (NMR) structural probes. XRD data shows no significant phase transformations in the bulk even though a color change has been observed for h-TiO2 and V2O5 after treatment. Mg-25 MAS NMR shows significant amorphous MgO formation for samples with color change suggestive of concomitant transition metal reduction on the surface. No significant bulk magnesiation due to intercalation has been observed for any of the oxides treated with di-n-butylmagnesium/heptane or diphenylmagnesium/THF solution. (c) 2015 The Electrochemical Society. All rights reserved. C1 [Wang, Hao; Senguttuvan, Premkumar; Proffit, Danielle L.; Pan, Baofei; Liao, Chen; Burrell, Anthony K.; Vaughey, John T.; Key, Baris] Argonne Natl Lab, Joint Ctr Energy Storage Res, Lemont, IL 60439 USA. [Wang, Hao; Senguttuvan, Premkumar; Proffit, Danielle L.; Pan, Baofei; Liao, Chen; Burrell, Anthony K.; Vaughey, John T.; Key, Baris] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. RP Wang, H (reprint author), Argonne Natl Lab, Joint Ctr Energy Storage Res, Lemont, IL 60439 USA. EM bkey@anl.gov OI Liao, Chen/0000-0001-5168-6493; Vaughey, John/0000-0002-2556-6129 FU Joint Center for Energy Storage Research, an Energy Innovation Hub - U.S. Department of Energy, Office of Science, Basic Energy Sciences; [DE-AC02-06CH11357] FX This work was supported as part of the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. The submitted manuscript has been created by UChicago Argonne, LLC, operator of Argonne National Laboratory, a U.S. Department of Energy Office of Science laboratory operated under Contract no. DE-AC02-06CH11357. This work has benefited from the use of 11-BM beamline at the Advanced Photon Source at Argonne National Laboratory. We thank Saul H. Lapidus for experimental support and Clare P. Grey for valuable discussions. NR 23 TC 6 Z9 6 U1 7 U2 34 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 2015 VL 4 IS 8 DI 10.1149/2.0051508eel PG 4 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA CK9EL UT WOS:000356543300004 ER PT J AU Jampani, PH Velikokhatnyi, O Kadakia, K Hong, DH Damle, SS Poston, JA Manivannan, A Kumta, PN AF Jampani, Prashanth H. Velikokhatnyi, Oleg Kadakia, Karan Hong, Dae Ho Damle, Sameer S. Poston, James A. Manivannan, Ayyakkannu Kumta, Prashant N. TI High energy density titanium doped-vanadium oxide-vertically aligned CNT composite electrodes for supercapacitor applications SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; INTELLIGENT WINDOW COATINGS; NANOTUBE FILM SUBSTRATE; DIOXIDE THIN-FILMS; WAVE BASIS-SET; CARBON NANOTUBE; ELECTROCHEMICAL CAPACITORS; MANGANESE OXIDE; RUTHENIUM OXIDE; HIGH-POWER AB In this study, we provide the first report on the supercapacitance behavior of titanium doped vanadium oxide films grown on vertically aligned carbon nanotubes using a chemical vapor deposition (CVD) technique. The capacitance of CVD derived titanium doped vanadium oxide-carbon nanotube composites was measured at different scan rates to evaluate the charge storage behavior. In addition, the electrochemical characteristics of the titanium doped vanadium oxide thin films synthesized by the CVD process were compared to substantiate the propitious effect of the carbon nanotubes on the capacitance of the doped vanadium oxide. Considering the overall materials loading with good rate capability and excellent charge retention up to 400 cycles, it can be noted that attractive capacitance values as high as 310 F g(-1) were reported. Ab initio theoretical studies, demonstrating the substantial improvement in the electronic conductivity of the vanadium oxide due to titanium doping and oxygen vacancies, have also been included corroborating the attractive experimental capacitance response. C1 [Kadakia, Karan; Damle, Sameer S.; Kumta, Prashant N.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Jampani, Prashanth H.; Velikokhatnyi, Oleg; Hong, Dae Ho; Kumta, Prashant N.] Univ Pittsburgh, Dept Bioengn, Pittsburgh, PA 15261 USA. [Poston, James A.; Manivannan, Ayyakkannu] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Kumta, Prashant N.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Kumta, Prashant N.] Univ Pittsburgh, Ctr Complex Engn Multifunct Mat, Pittsburgh, PA 15261 USA. RP Kumta, PN (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. EM pkumta@pitt.edu RI Jampani Hanumantha, Prashanth/A-9840-2013 OI Jampani Hanumantha, Prashanth/0000-0001-7159-1993 FU National Science Foundation [CBET-0933141] FX This research is supported by the National Science Foundation, under Award CBET-0933141. PNK acknowledges the Edward R. Weidlein Chair Professorship funds and the Center for Complex Engineered Multifunctional Materials (CCEMM) for procuring the electrochemical equipment used in this research work. The authors would also like to acknowledge the support of Dr Susheng Tan, Nanoscale Fabrication and Characterization Facility at the University of Pittsburgh for help with transmission electron microscopy data collection and analyses. NR 130 TC 11 Z9 11 U1 14 U2 97 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 2015 VL 3 IS 16 BP 8413 EP 8432 DI 10.1039/c4ta06777k PG 20 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CK6XO UT WOS:000356372300002 ER PT J AU Ramasamy, K Gupta, RK Sims, H Palchoudhury, S Ivanov, S Gupta, A AF Ramasamy, Karthik Gupta, Ram K. Sims, Hunter Palchoudhury, Soubantika Ivanov, Sergei Gupta, Arunava TI Layered ternary sulfide CuSbS2 nanoplates for flexible solid-state supercapacitors SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID COPPER-ANTIMONY-SULFIDE; ELECTRICAL ENERGY-STORAGE; CHALCOSTIBITE CUSBS2; ELECTRODE MATERIAL; ION BATTERIES; HIGH-CAPACITY; SOLAR-CELLS; GRAPHENE; MOS2; PERFORMANCE AB Layer-structured materials are advantageous for supercapacitor applications owing to their ability to host a variety of atoms or ions, large ionic conductivity and high surface area. In particular, ternary or higher-order layered materials provide a unique opportunity to develop stable supercapacitor devices with high specific capacitance values by offering additional redox sites combined with the flexibility of tuning the interlayer distance by substitution. CuSbS2 is a ternary layered sulfide material that is composed of sustainable and less-toxic elements. We report the results of a systematic study of CuSbS2 nanoplates of varying thickness (4.3 +/- 1.4 to 105 +/- 5.5 nm) for use as supercapacitors along with the effect of ionic size of electrolyte ions on the specific capacitance and long-term cycling performance behavior. We have obtained specific capacitance values as high as 120 F g(-1) for nanoplates with thickness of 55 +/- 6.5 nm using LiOH electrolyte. Electronic structure calculations based on density functional theory predict that with complete surface coverage by electrolyte ions a specific capacitance of over 1160 F g(-1) is achievable using CuSbS2, making it a very attractive layer-structured material for supercapacitor applications. Additionally, the calculations indicate that lithium ions can be intercalated between the van der Waals layers without significantly distorting the CuSbS2 structure, thereby further enhancing the specific capacitance by 85 F g(-1). Quasi-solid-state flexible supercapacitor devices fabricated using CuSbS2 nanoplates exhibit an aerial capacitance value of 40 mF cm(-2) with excellent cyclic stability and no loss of specific capacitance at various bending angles. Moreover, the supercapacitors are operable over a wide temperature range. We have further compared the electrochemical behavior of CuSbS2 with other non-layered phases in the system, namely Cu3SbS3, Cu3SbS4 and Cu12Sb4S13 that clearly highlight the importance of the layered structure for enhancing charge storage. C1 [Ramasamy, Karthik; Ivanov, Sergei] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Albuquerque, NM 87123 USA. [Gupta, Ram K.] Pittsburg State Univ, Dept Chem, Pittsburg, KS 66762 USA. [Sims, Hunter] German Res Sch Simulat Sci, D-52425 Julich, Germany. [Palchoudhury, Soubantika; Gupta, Arunava] Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA. RP Ramasamy, K (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Albuquerque, NM 87123 USA. EM kramasamy@lanl.gov; agupta@mint.ua.edu RI Ivanov, Sergei/B-5505-2011; OI Sims, Hunter/0000-0001-7631-2754 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-FG02-08ER46537]; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; Polymer Chemistry Initiative, Pittsburg State University; National Science Foundation [EPS-0903806]; State of Kansas through the Kansas Board of Regents FX Synthesis, X-ray, TEM and SEM characterization work was done at the University of Alabama, supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award no. DE-FG02-08ER46537. Some of the analysis was also performed at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. Electrochemical measurements were carried out at Pittsburg State University. Dr Ram Gupta expresses his sincere acknowledgment to the Polymer Chemistry Initiative, Pittsburg State University for providing financial and research support. Dr Ram Gupta thanks National Science Foundation Award no. EPS-0903806 and matching support from the State of Kansas through the Kansas Board of Regents. NR 51 TC 5 Z9 5 U1 17 U2 87 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 2015 VL 3 IS 25 BP 13263 EP 13274 DI 10.1039/c5ta03193a PG 12 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CK7ZA UT WOS:000356455200012 ER PT J AU Lu, Y Armentrout, AA Li, JC Tekinalp, HL Nanda, J Ozcan, S AF Lu, Yuan Armentrout, Aaron A. Li, Juchuan Tekinalp, Halil L. Nanda, Jagjit Ozcan, Soydan TI A cellulose nanocrystal-based composite electrolyte with superior dimensional stability for alkaline fuel cell membranes SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID ANION-EXCHANGE MEMBRANES; HYDROXIDE; NANOCOMPOSITES; NANOCELLULOSE; CONDUCTIVITY; PERFORMANCE AB Cellulose nanocrystal (CNC)-based composite films were prepared as a solid electrolyte for alkaline fuel cells. Poly(vinyl alcohol) (PVA) and silica gel hybrid were used to bind the CNCs to form a robust composite film. The mass ratio (i.e., 1 : 1, 1 : 2) of PVA and silica gel was tuned to control the hydrophobicity of the resulting films. Composite films with a range of CNC contents (i.e., 20-60%) were prepared to demonstrate the impact of CNCs on the performance of these materials as a solid electrolyte for alkaline fuel cells. Different from previously reported cross-linked polymer films, CNC-based composite films with 40% hydrophobic binder (i.e., PVA : silica gel = 1 : 2) exhibited simultaneous low water swelling (e.g., similar to 5%) and high water uptake (e.g., similar to 80%) due to the hydrophilicity and extraordinary dimensional stability of CNCs. It also showed a conductivity of 0.044 and 0.065 S cm(-1) at 20 and 60 degrees C, respectively. To the best of our knowledge, the film with 60% CNC and 40% binder is characterized by the lowest hydroxide conductivity-normalized swelling ratio. Decreased CNC contents (i.e., 40 and 20%) resulted in comparable hydroxide conductivity but a greater swelling ratio. These results demonstrate the advantage of CNCs as a key component for a solid electrolyte for alkaline fuel cells over conventional polymers, suggesting the great potential of CNCs in improving the dimensional stability while maintaining the conductivity of existing anion exchange membranes. C1 [Lu, Yuan; Armentrout, Aaron A.; Li, Juchuan; Tekinalp, Halil L.; Nanda, Jagjit; Ozcan, Soydan] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Ozcan, S (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM ozcans@ornl.gov RI Li, Juchuan/A-2992-2009; OI Li, Juchuan/0000-0002-6587-5591; Ozcan, Soydan/0000-0002-3825-4589 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; US Department of Energy [DE-AC05-00OR22725] FX The authors thank Michal Lance for his assistance in the FT-IR analysis. Thanks to the USDA Forest Service Forest Products Laboratory for providing cellulose nanomaterials as well as information on the properties of cellulosic nanomaterials. This research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy. This article has been authored by UT-Battelle, LLC, under contract no. DE-AC05-00OR22725 with the US Department of Energy. The U. S. Government is authorized to reproduce and distribute reprints for Government purposes not withstanding any copyright notation hereon. NR 36 TC 5 Z9 5 U1 12 U2 38 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 2015 VL 3 IS 25 BP 13350 EP 13356 DI 10.1039/c5ta02304a PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CK7ZA UT WOS:000356455200022 ER PT J AU Chen, SM Li, L Sun, HW Sun, J Lu, BW AF Chen, Shimou Li, Liang Sun, Hanwen Sun, Jian Lu, Baowang TI Nanomaterials for Renewable Energy SO JOURNAL OF NANOMATERIALS LA English DT Editorial Material C1 [Chen, Shimou] Chinese Acad Sci, Inst Proc Engn, Beijing 100190, Peoples R China. [Li, Liang] Soochow Univ, Jiangsu Key Lab Thin Films, Dept Phys, Suzhou 215006, Peoples R China. [Sun, Hanwen] Dezhou Univ, Coll Med & Nursing, Dezhou 253023, Peoples R China. [Sun, Jian] Sandia Natl Labs, Livermore, CA 94550 USA. [Lu, Baowang] Okayama Univ, Grad Sch Environm & Life Sci, Kita Ku, Okayama 7008530, Japan. RP Chen, SM (reprint author), Chinese Acad Sci, Inst Proc Engn, Beijing 100190, Peoples R China. EM chenshimou@ipe.ac.cn NR 0 TC 0 Z9 0 U1 1 U2 8 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-4110 EI 1687-4129 J9 J NANOMATER JI J. Nanomater. PY 2015 AR 143697 DI 10.1155/2015/143697 PG 2 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CL1IO UT WOS:000356696200001 ER PT J AU Paxton, WF Bouxsein, NF Henderson, IM Gomez, A Bachand, GD AF Paxton, Walter F. Bouxsein, Nathan F. Henderson, Ian M. Gomez, Andrew Bachand, George D. TI Dynamic assembly of polymer nanotube networks via kinesin powered microtubule filaments SO NANOSCALE LA English DT Article ID MOLECULAR MOTORS; DIBLOCK COPOLYMERS; LIPID-BILAYERS; DIFFUSION; MEMBRANES; VESICLES AB We describe for the first time how biological nanomotors may be used to actively self-assemble mesoscale networks composed of diblock copolymer nanotubes. The collective force generated by multiple kinesin nanomotors acting on a microtubule filament is large enough to overcome the energy barrier required to extract nanotubes from polymer vesicles comprised of poly(ethylene oxide-b-butadiene) in spite of the higher force requirements relative to extracting nanotubes from lipid vesicles. Nevertheless, large-scale polymer networks were dynamically assembled by the motors. These networks displayed enhanced robustness, persisting more than 24 h post-assembly (compared to 4-5 h for corresponding lipid networks). The transport of materials in and on the polymer membranes differs substantially from the transport on analogous lipid networks. Specifically, our data suggest that polymer mobility in nanotubular structures is considerably different from planar or 3D structures, and is stunted by 1D confinement of the polymer subunits. Moreover, quantum dots adsorbed onto polymer nanotubes are completely immobile, which is related to this 1D confinement effect and is in stark contrast to the highly fluid transport observed on lipid tubules. C1 [Paxton, Walter F.; Bouxsein, Nathan F.; Henderson, Ian M.; Gomez, Andrew; Bachand, George D.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Paxton, WF (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM wfpaxto@sandia.gov; gdbacha@sandia.gov OI Bachand, George/0000-0002-3169-9980 FU U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (BES-MSE); BES-MSE; Center for Integrated Nanotechnologies; U.S. Department of Energy (DOE) Office of Science [U2012A0072]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (BES-MSE). N.F. Bouxsein (polymer network assembly, characterization, and data analysis), W.F. Paxton (polymersome preparation and data analysis), A. Gomez (polymersome preparation and network assembly) and G.D. Bachand (kinesin/microtubule motility and analysis) were supported BES-MSE. I.M. Henderson (polymer synthesis and functionalization) was supported through the Center for Integrated Nanotechnologies. 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 (user project number U2012A0072). 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 35 TC 4 Z9 4 U1 5 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 25 BP 10998 EP 11004 DI 10.1039/c5nr00826c PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CK8UZ UT WOS:000356515900019 PM 25939271 ER PT J AU Ievlev, AV Kalinin, SV AF Ievlev, Anton V. Kalinin, Sergei V. TI Data encoding based on the shape of the ferroelectric domains produced by using a scanning probe microscope tip SO NANOSCALE LA English DT Article ID THIN-FILMS; FORCE MICROSCOPY; POLARIZATION; NANOSCALE; RESOLUTION; ENERGY AB Ferroelectric materials are broadly considered for information storage due to the extremely high storage and information processing densities they enable. To date, ferroelectric based data storage has invariably relied on the formation of cylindrical domains, allowing for binary information encoding. Here we demonstrate and explore the potential of high-density encoding based on the domain morphology. We explore the domain morphogenesis during the tip-induced polarization switching by sequences of positive and negative pulses in a lithium niobate single-crystal and demonstrate the principles of information coding by the shape and size of the domains. We applied cross-correlation and neural network approaches for recognition of the switching sequence by the shape of the resulting domains and established optimal parameters for domain shape recognition. These studies both provide insight into the highly non-trivial mechanism of domain switching and potentially establish a new paradigm for multilevel information storage and content retrieval memory devices. Furthermore, this approach opens a pathway to exploration of domain switching mechanisms via shape analysis. C1 [Ievlev, Anton V.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Ievlev, AV (reprint author), Oak Ridge Natl Lab, Inst Funct Imaging Mat, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM ievlevav@ornl.gov RI Kalinin, Sergei/I-9096-2012; Ievlev, Anton/H-3678-2012 OI Kalinin, Sergei/0000-0001-5354-6152; Ievlev, Anton/0000-0003-3645-0508 FU Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences; U.S. Department of Energy FX The research (AVI and SVK) was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, and U.S. Department of Energy. NR 43 TC 4 Z9 4 U1 3 U2 25 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 25 BP 11040 EP 11047 DI 10.1039/c5nr02443a PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CK8UZ UT WOS:000356515900024 PM 26053234 ER PT J AU Hufschmid, R Arami, H Ferguson, RM Gonzales, M Teeman, E Brush, LN Browning, ND Krishnan, KM AF Hufschmid, Ryan Arami, Hamed Ferguson, R. Matthew Gonzales, Marcela Teeman, Eric Brush, Lucien N. Browning, Nigel D. Krishnan, Kannan M. TI Synthesis of phase-pure and monodisperse iron oxide nanoparticles by thermal decomposition SO NANOSCALE LA English DT Article ID MAGNETIC FLUID HYPERTHERMIA; CHRONIC KIDNEY-DISEASE; PARTICLE IMAGING MPI; CONTRAST AGENTS; FE3O4 NANOPARTICLES; OLEATE COMPLEX; SIZE CONTROL; NANOCRYSTALS; SPECTROSCOPY; TRACERS AB Superparamagnetic iron oxide nanoparticles (SPIONs) are used for a wide range of biomedical applications requiring precise control over their physical and magnetic properties, which are dependent on their size and crystallographic phase. Here we present a comprehensive template for the design and synthesis of iron oxide nanoparticles with control over size, size distribution, phase, and resulting magnetic properties. We investigate critical parameters for synthesis of monodisperse SPIONs by organic thermal decomposition. Three different, commonly used, iron containing precursors (iron oleate, iron pentacarbonyl, and iron oxyhydroxide) are evaluated under a variety of synthetic conditions. We compare the suitability of these three kinetically controlled synthesis protocols, which have in common the use of iron oleate as a starting precursor or reaction intermediate, for producing nanoparticles with specific size and magnetic properties. Monodisperse particles were produced over a tunable range of sizes from approximately 2-30 nm. Reaction parameters such as precursor concentration, addition of surfactant, temperature, ramp rate, and time were adjusted to kinetically control size and size-distribution, phase, and magnetic properties. In particular, large quantities of excess surfactant (up to 25 : 1 molar ratio) alter reaction kinetics and result in larger particles with uniform size; however, there is often a trade-off between large particles and a narrow size distribution. Iron oxide phase, in addition to nanoparticle size and shape, is critical for establishing magnetic properties such as differential susceptibility (dm/dH) and anisotropy. As an example, we show the importance of obtaining the required size and iron oxide phase for application to Magnetic Particle Imaging (MPI), and describe how phase purity can be controlled. These results provide much of the information necessary to determine which iron oxide synthesis protocol is best suited to a particular application. C1 [Hufschmid, Ryan; Arami, Hamed; Ferguson, R. Matthew; Gonzales, Marcela; Teeman, Eric; Brush, Lucien N.; Krishnan, Kannan M.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. [Browning, Nigel D.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. RP Krishnan, KM (reprint author), Univ Washington, Dept Mat Sci & Engn, Box 352120, Seattle, WA 98195 USA. EM kannanmk@uw.edu OI Browning, Nigel/0000-0003-0491-251X FU NIH [1RO1EB013689-01/NIBIB, 1R41EB013520-01, 1R42EB013520-01]; Chemical Imaging Initiative [DE-AC057-6RL01830]; Department of Energy; Department of Energy's Office of Biological and Environmental Research FX This work was supported by NIH grants 1RO1EB013689-01/NIBIB, 1R41EB013520-01 and 1R42EB013520-01. Part of this work was conducted at the University of Washington Nano-Tech User Facility, a member of the NSF National Nanotechnology Infrastructure Network (NNIN). Research performed at Pacific Northwest National Laboratory (PNNL) was supported by the Chemical Imaging Initiative under Contract DE-AC057-6RL01830 operated for the Department of Energy by Battelle. A portion of this work was performed at EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at PNNL. NR 70 TC 26 Z9 26 U1 10 U2 82 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 25 BP 11142 EP 11154 DI 10.1039/c5nr01651g PG 13 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CK8UZ UT WOS:000356515900035 PM 26059262 ER PT J AU Park, Y Liu, ZW Routh, PK Kuo, CY Park, YS Tsai, H Martinez, JS Shreve, AP Cotlet, M Wang, HL AF Park, Youngil Liu, Zhongwei Routh, Prahlad K. Kuo, Cheng-Yu Park, Young-Shin Tsai, Hsinhan Martinez, Jennifer S. Shreve, Andrew P. Cotlet, Mircea Wang, Hsing-Lin TI DNA-assisted photoinduced charge transfer between a cationic poly(phenylene vinylene) and a cationic fullerene SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID CONJUGATED POLYELECTROLYTE; SOLAR-CELLS; POLYMER; PHOTOLUMINESCENCE; INTERLAYERS; MORPHOLOGY; INJECTION; ENERGY AB Water-soluble cationic conjugated poly(phenylene vinylene) (PPV) and cationic fullerene were complexed with negatively charged single stranded DNA and double stranded DNA via electrostatic interactions to achieve photoinduced charge transfer with efficiencies as high as those observed from oppositely charged, cationic PPV and anionic fullerene but with distinctly different quenching mechanisms. C1 [Park, Youngil; Kuo, Cheng-Yu; Park, Young-Shin; Tsai, Hsinhan; Wang, Hsing-Lin] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Liu, Zhongwei; Routh, Prahlad K.; Cotlet, Mircea] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11793 USA. [Liu, Zhongwei; Routh, Prahlad K.; Cotlet, Mircea] SUNY Stony Brook, Dept Mat Sci, Stony Brook, NY 11790 USA. [Martinez, Jennifer S.] Los Alamos Natl Lab, Ctr Integrated Technol, Los Alamos, NM 87545 USA. [Martinez, Jennifer S.] Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM 87545 USA. [Shreve, Andrew P.] Univ New Mexico, Albuquerque, NM 87131 USA. RP Cotlet, M (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, 735 Brookhaven Ave, Upton, NY 11793 USA. EM cotlet@bnl.gov; hwang@lanl.gov RI Liu, Zhongwei/F-1327-2017; OI Liu, Zhongwei/0000-0002-2678-3125; Park, Young-Shin/0000-0003-4204-1305 FU U.S. Department of Energy, Basic Energy Sciences (BES), Materials Sciences and Engineering Division, Biomolecular Materials program; Los Alamos National Laboratory Directed Research and Development Funds; Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0012704] FX The authors acknowledge financial support from the U.S. Department of Energy, Basic Energy Sciences (BES), Materials Sciences and Engineering Division, Biomolecular Materials program (Y.I.P, H.L.W, J.S.M, and A.P.S), from Los Alamos National Laboratory Directed Research and Development Funds (C.K). Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. Research was carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory and supported by the U.S. Department of Energy, Office of Basic Energy Sciences, by Contract No. DE-SC0012704 (Z.L., P.K.R. and M.C.). NR 21 TC 0 Z9 0 U1 3 U2 10 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 2015 VL 17 IS 24 BP 15675 EP 15678 DI 10.1039/c5cp01309g PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CK2QL UT WOS:000356056000017 PM 25894733 ER PT J AU Liu, GK Cary, SK Albrecht-Schmitt, TE AF Liu, Guokui Cary, Samantha K. Albrecht-Schmitt, Thomas E. TI Metastable charge-transfer state of californium(III) compounds SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID ORBIT-LATTICE RELAXATION; ELECTRON-TRANSFER; LAWRENCIUM CHEMISTRY; VIBRONIC TRANSITIONS; SYSTEMATIC BEHAVIOR; ACTINIDE COMPLEXES; LUMINESCENCE; LANTHANIDE; CRYSTALS; SPECTRA AB Among a series of anomalous physical and chemical properties of Cf(III) compounds revealed by recent investigations, the present work addresses the characteristics of the optical spectra of An(HDPA)(3)center dot H2O (An = Am, Cm, and Cf), especially the broadband photoluminescence from Cf(HDPA)(3)center dot H2O induced by ligand-to-metal charge transfer (CT). As a result of strong ion-ligand interactions and the relative ease of reducing Cf(III) to Cf(II), a CT transition occurs at low energy (<3 eV) via the formation of a metastable Cf(II) state. It is shown that the systematic trend in CT transitions of the lanthanide series is not paralleled by actinide elements lighter than Cf(III), and californium represents a turning point in the periodicity of the actinide series. Analyses and modeling of the temperature-dependent luminescence dynamics indicate that the metastable Cf(II) charge-transfer state undergoes radiative and non-radiative relaxations. Broadening of the CT transition arises from strong vibronic coupling and hole-charge interactions in the valence band. The non-radiative relaxation of the metastable CT state results from a competition between phonon-relaxation and thermal tunneling that populates the excited states of Cf(III). C1 [Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Cary, Samantha K.; Albrecht-Schmitt, Thomas E.] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. RP Liu, GK (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gkliu@anl.gov FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-06CH11357, DE-FG02-13ER16414] FX This work was funded by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy under contract DE-AC02-06CH11357 (GL) and DE-FG02-13ER16414 (SKC and TEA). NR 33 TC 3 Z9 3 U1 2 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2015 VL 17 IS 24 BP 16151 EP 16157 DI 10.1039/c5cp01855b PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CK2QL UT WOS:000356056000075 PM 26032575 ER PT J AU Gardner, JL He, W Li, CL Wong, J Sale, KL Simmons, BA Singh, S Tanjore, D AF Gardner, James L. He, Wei Li, Chenlin Wong, Jessica Sale, Kenneth L. Simmons, Blake A. Singh, Seema Tanjore, Deepti TI Calorimetric evaluation indicates that lignin conversion to advanced biofuels is vital to improving energy yields SO RSC ADVANCES LA English DT Article ID PRETREATMENT TECHNOLOGIES; ELEMENTAL COMPOSITION; ETHANOL-PRODUCTION; BOMB CALORIMETRY; HEATING VALUES; BIOMASS FUELS; UNITED-STATES; HHV AB Energy density measurements using bomb calorimetry were applied along with mass yields to calculate energy yields from combinations of individual processes and lignocellulosic feedstocks. Sample preparation and the calorimetric method were fine-tuned for the biofuel process pathway prior to measuring the energy density of liquid fuels and catalysts and solid biomass types (untreated, pelletized, pretreated, and enzymatically hydrolyzed). To statistically establish the method, correlations between biomass composition and energy densities were tested. Strong correlations with lignin, hemicellulose, and ash concentrations were observed and statistically validated (Pearson's coefficient, r = 0.92 and -0.81, respectively). Finally, energy densities were applied along with mass yields on a process pathway including ionic liquid pretreatment (6 L) and saccharification (2 L) of three feedstocks. From switchgrass, eucalyptus, and mixed feedstocks, mass yields of 54.4, 62.0, and 61.7% led to energy yields that were observed to be 59.2, 55.9, and 61.0%, respectively. The disparity in change in mass and energy yields between switchgrass and eucalyptus was identified to have originated from the varied lignin removal during pretreatment. The overall energies recovered from 600 g of switchgrass, eucalyptus, and mixed feedstocks, were 9.8, 10.3, and 10.1 MJ, respectively. Calorimetry can promptly evaluate an integrated multi-process pathway to convert a discrete or mixed feedstock to sugars and other metabolites and eventually to advanced biofuels that can either be hydrocarbons or a mixture thereof. In this particular study, calorimetry and mass yields indicated that lignin removal led to lower energy yield to liquid fuels. C1 [Gardner, James L.; He, Wei; Li, Chenlin; Wong, Jessica; Tanjore, Deepti] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Biofuels Proc Demonstrat Unit, Berkeley, CA 94720 USA. [Sale, Kenneth L.; Simmons, Blake A.; Singh, Seema] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA USA. [Sale, Kenneth L.; Simmons, Blake A.; Singh, Seema] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA USA. RP Tanjore, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Biofuels Proc Demonstrat Unit, One Cyclotron Rd MS 978-3200, Berkeley, CA 94720 USA. EM dtanjore@lbl.gov FU BioEnergy Technologies Office (BETO) in the Department of Energy's Energy Efficiency and Renewable Energy (DOE - EERE) division FX The authors would like to thank the BioEnergy Technologies Office (BETO) in the Department of Energy's Energy Efficiency and Renewable Energy (DOE - EERE) division for providing the funds required to pursue these studies. The authors would specially like to thank Ms Leslie Pezullo, Program Manager and Dr Jonathan Male, Director at the BETO. The authors would also like to thank Drs Vicki Thompson and Kevin Kenney from the Idaho National Laboratory (INL) for providing the biomass feedstocks tested in the project. Our special thanks to Dr Jian Shi from the Joint BioEnergy Institute (JBEI) for providing the pre-pelleted feedstocks that were also tested in this project. NR 34 TC 0 Z9 0 U1 1 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2015 VL 5 IS 63 BP 51092 EP 51101 DI 10.1039/c5ra01503k PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA CK5YA UT WOS:000356303000054 ER PT J AU Ivanova, AS Brinzer, T Roth, EA Kusuma, VA Watkins, JD Zhou, X Luebke, D Hopkinson, D Washburn, NR Garrett-Roe, S Nulwala, HB AF Ivanova, Anna S. Brinzer, Thomas Roth, Elliot A. Kusuma, Victor A. Watkins, John D. Zhou, Xu Luebke, David Hopkinson, David Washburn, Newell R. Garrett-Roe, Sean Nulwala, Hunaid B. TI Eutectic ionic liquid mixtures and their effect on CO2 solubility and conductivity SO RSC ADVANCES LA English DT Article ID IUPAC TECHNICAL REPORT; THERMOPHYSICAL PROPERTIES; BINARY-MIXTURES; CARBON-DIOXIDE; CAPTURE; 1-HEXYL-3-METHYLIMIDAZOLIUM; BIS(TRIFLUOROMETHYLSULFONYL)IMIDE; ABSORPTION; TRANSITION; SALTS AB A simple binary system of compounds resembling short-chain versions of popular ionic liquids has been shown to have surprisingly complex properties. Combining methylated versions of pyridinium and pyrrolidinium bis[(trifluoromethyl) sulfonyl] imide gave desirable properties such as low viscosity and high conductivity solubility per unit volume. The binary combinations studied in this study showed that these materials were stable liquids at 50 degrees C and had a threefold improvement in conductivity over [C(6)C(1)im] [Tf2N]. Despite the high densities of these materials, 2D-IR studies indicate increased ion mobility, likely due to the lack of hindering alkyl chains. C1 [Ivanova, Anna S.; Washburn, Newell R.; Nulwala, Hunaid B.] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA. [Brinzer, Thomas; Garrett-Roe, Sean] Univ Pittsburgh, Dept Chem, Chevron Sci Ctr, Pittsburgh, PA 15260 USA. [Zhou, Xu] Liquid Ion Solut LLC, Pittsburgh, PA 15205 USA. [Roth, Elliot A.; Kusuma, Victor A.; Watkins, John D.; Zhou, Xu; Luebke, David; Hopkinson, David; Nulwala, Hunaid B.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Nulwala, HB (reprint author), Carnegie Mellon Univ, Dept Chem, 4400 Fifth Ave, Pittsburgh, PA 15213 USA. EM sgr@pitt.edu; hnulwala@andrew.cmu.edu OI Kusuma, Victor/0000-0002-7881-4536; Garrett-Roe, Sean/0000-0001-6199-8773; Nulwala, Hunaid/0000-0001-7481-3723 FU U.S. Department of Energy's National Energy Technology Laboratory [DE-FE0004000]; ACS PRF Award [53936-DNI6] FX This research was supported by the U.S. Department of Energy's National Energy Technology Laboratory under the contract DE-FE0004000. Part of this work was also supported by ACS PRF Award #53936-DNI6. NR 35 TC 1 Z9 1 U1 5 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2015 VL 5 IS 63 BP 51407 EP 51412 DI 10.1039/c5ra06561e PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA CK5YA UT WOS:000356303000093 ER PT S AU Clayton, DA AF Clayton, Dwight A. BE Meyendorf, NG TI Nondestructive Evaluation of Thick Concrete Structures SO SMART MATERIALS AND NONDESTRUCTIVE EVALUATION FOR ENERGY SYSTEMS 2015 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Smart Materials and Nondestructive Evaluation for Energy Systems CY MAR 09-10, 2015 CL San Diego, CA SP SPIE, American Soc Mech Engineers, Intelligent Mat Forum, Jet Propuls Lab, Natl Sci Fdn DE Concrete; nondestructive evaluation; nuclear power plant; life extension; sustainability; suitable test specimen AB Concrete has been used in the construction of nuclear power plants (NPPs) due to three primary properties: its low cost, structural strength, and ability to shield radiation. Examples of concrete structures important to the safety of Light Water Reactor (LWR) plants include the containment building, spent fuel pool, and cooling towers. Use in these structures has made concrete's long-term performance crucial for the safe operation of commercial NPPs. Extending LWR operating period to 60 years and beyond will likely increase susceptibility and severity of known forms of degradation. New mechanisms of materials degradation are also possible. This creates the need to be able to nondestructively evaluate the current subsurface concrete condition of aging concrete material in NPP structures. The size and complexity of NPP containment structures and heterogeneity of Portland cement concrete make characterization of the degradation extent a difficult task. Specially designed and fabricated test specimens can provide realistic flaws that are similar to actual flaws in terms of how they interact with a particular nondestructive evaluation (NDE) technique. Artificial test blocks allow the isolation of certain testing problems as well as the variation of certain parameters. Representative large heavily reinforced concrete specimens would allow for comparative testing to evaluate the state-of-the-art NDE in this area and to identify additional developments necessary to address the challenges potentially found in NPPs. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Clayton, DA (reprint author), Oak Ridge Natl Lab, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM claytonda@ornl.gov NR 6 TC 0 Z9 0 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-542-1 J9 PROC SPIE PY 2015 VL 9439 AR 943905 DI 10.1117/12.2083882 PG 9 WC Energy & Fuels; Engineering, Electrical & Electronic; Optics; Physics, Applied SC Energy & Fuels; Engineering; Optics; Physics GA BC8OE UT WOS:000355931700003 ER PT S AU Karim, H Shuvo, MAI Islam, MT Rodriguez, G Sandoval, A Nandasiri, MI Schwarz, AM Devaraj, A Noveron, JC Vijayakumar, M Lin, YR AF Karim, Hasanul Shuvo, Mohammad Arif Ishtiaque Islam, Md Tariqul Rodriguez, Gerardo Sandoval, Armando Nandasiri, Manjula I. Schwarz, Ashleigh M. Devaraj, Arun Noveron, Juan C. Vijayakumar, M. Lin, Yirong BE Meyendorf, NG TI Porous carbon/CeO2 composites for Li-ion battery application SO SMART MATERIALS AND NONDESTRUCTIVE EVALUATION FOR ENERGY SYSTEMS 2015 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Smart Materials and Nondestructive Evaluation for Energy Systems CY MAR 09-10, 2015 CL San Diego, CA SP SPIE, American Soc Mech Engineers, Intelligent Mat Forum, Jet Propuls Lab, Natl Sci Fdn DE Li-ion battery; energy storage; porous carbon; ceria ID ELECTRODE AB Development of new materials hold the key to the fundamental progress in energy storage systems such as Li-ion battery, which is widely used in modern technologies because of their high energy density and extended cycle life. Among these materials, porous carbon is of particular interest because it provides high lithiation and excellent cycling capability by shortening the transport length for Li+ ions with large electrode/electrolyte interface. It has also been demonstrated that transition metal oxide nanoparticle can enhance surface electrochemical reactivity and increase the capacity retention capability for higher number of cycles. Here we investigate porous carbon/ceria (CeO2) nanoparticles composites as an anode material. The high redox potential of ceria is expected to provide a higher potential window as well as increase the specific capacity and energy density of the system. Scanning Electron Microscopy (SEM), X-Ray Diffraction (XRD), Transmission Electron Microscopy (TEM) is used for material characterization, while battery analyzer is used for measuring the electrochemical performance of the battery. C1 [Karim, Hasanul; Shuvo, Mohammad Arif Ishtiaque; Rodriguez, Gerardo; Sandoval, Armando; Lin, Yirong] Univ Texas El Paso, Dept Mech Engn, El Paso, TX 79968 USA. [Islam, Md Tariqul; Noveron, Juan C.] Univ Texas El Paso, Dept Chem, El Paso, TX 79968 USA. [Nandasiri, Manjula I.; Schwarz, Ashleigh M.; Devaraj, Arun; Noveron, Juan C.; Vijayakumar, M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Karim, H (reprint author), Univ Texas El Paso, Dept Mech Engn, El Paso, TX 79968 USA. NR 15 TC 0 Z9 0 U1 2 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-542-1 J9 PROC SPIE PY 2015 VL 9439 AR 94390I DI 10.1117/12.2084293 PG 6 WC Energy & Fuels; Engineering, Electrical & Electronic; Optics; Physics, Applied SC Energy & Fuels; Engineering; Optics; Physics GA BC8OE UT WOS:000355931700011 ER PT S AU Shuvo, MAI Karim, H Islam, MT Rodriguez, G Nandasiri, MI Schwarz, AM Devaraj, A Noveron, JC Vijayakumar, M Lin, YR AF Shuvo, Mohammad Arif Ishtiaque Karim, Hasanul Islam, Md Tariqul Rodriguez, Gerardo Nandasiri, Manjula I. Schwarz, Ashleigh M. Devaraj, Arun Noveron, Juan C. Vijayakumar, Murugesan Lin, Yirong BE Meyendorf, NG TI High-performance Porous Carbon/CeO2 Nanoparticles Hybrid Super-capacitors for Energy Storage SO SMART MATERIALS AND NONDESTRUCTIVE EVALUATION FOR ENERGY SYSTEMS 2015 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Smart Materials and Nondestructive Evaluation for Energy Systems CY MAR 09-10, 2015 CL San Diego, CA SP SPIE, American Soc Mech Engineers, Intelligent Mat Forum, Jet Propuls Lab, Natl Sci Fdn DE super-capacitor; energy storage; ceria; organic electrolyte ID SUPERCAPACITOR ELECTRODES; NANOSTRUCTURES AB Increasing demand for energy storage devices has propelled researchers for developing efficient super-capacitors (SC) with long cycle life and ultrahigh energy density. Carbon-based materials are commonly used as electrode materials for SC. Herein we report a new approach to improve the SC performance utilizing porous carbon/Cerium oxide nanoparticle (PC-CON) hybrid as electrode material synthesized via low temperature hydrothermal method and tetraethyl ammonium tetrafluroborate in acetonitrile as organic electrolyte. Through this approach, charges can be stored not only via electrochemical double layer capacitance (EDLC) from PC but also through pseudo-capacitive effect from CeO2 NPs. The excellent electrode-electrolyte interaction due to the electrochemical properties of the ionic electrolyte provides a better voltage window for the SC. Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM)and X-Ray Diffraction (XRD) measurements were used for the initial characterization of this PC/CeO2 NPs hybrid material system. Electrochemical measurements of SCs was performed using a potentio-galvanostat. It is found that the specific capacitance was improved by 30% using PC-CON system compared with pristine PC system. C1 [Shuvo, Mohammad Arif Ishtiaque; Karim, Hasanul; Rodriguez, Gerardo; Lin, Yirong] Univ Texas El Paso, Dept Mech Engn, El Paso, TX 79968 USA. [Islam, Md Tariqul; Noveron, Juan C.] Univ Texas El Paso, Dept Chem, El Paso, TX 79968 USA. [Nandasiri, Manjula I.; Schwarz, Ashleigh M.; Devaraj, Arun; Vijayakumar, Murugesan] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Shuvo, MAI (reprint author), Univ Texas El Paso, Dept Mech Engn, El Paso, TX 79968 USA. NR 13 TC 0 Z9 0 U1 5 U2 26 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-542-1 J9 PROC SPIE PY 2015 VL 9439 AR 94390H DI 10.1117/12.2084267 PG 8 WC Energy & Fuels; Engineering, Electrical & Electronic; Optics; Physics, Applied SC Energy & Fuels; Engineering; Optics; Physics GA BC8OE UT WOS:000355931700010 ER PT S AU Sun, XY Lin, B Bao, JJ Giurgiutiu, V Knight, T Lam, PS Yu, LY AF Sun, Xiaoyi Lin, Bin Bao, Jingjing Giurgiutiu, Victor Knight, Travis Lam, Poh-Sang Yu, Lingyu BE Meyendorf, NG TI Developing a Structural Health Monitoring System for Nuclear Dry Cask Storage Canister SO SMART MATERIALS AND NONDESTRUCTIVE EVALUATION FOR ENERGY SYSTEMS 2015 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Smart Materials and Nondestructive Evaluation for Energy Systems CY MAR 09-10, 2015 CL San Diego, CA SP SPIE, American Soc Mech Engineers, Intelligent Mat Forum, Jet Propuls Lab, Natl Sci Fdn DE Nuclear energy; dry cask canister; structural health monitoring; piezoelectric; sensing ID WAFER ACTIVE SENSORS; WAVES AB Interim storage of spent nuclear fuel from reactor sites has gained additional importance and urgency for resolving waste-management-related technical issues. In total, there are over 1482 dry cask storage system (DCSS) in use at US plants, storing 57,807 fuel assemblies. Nondestructive material condition monitoring is in urgent need and must be integrated into the fuel cycle to quantify the "state of health", and more importantly, to guarantee the safe operation of radioactive waste storage systems (RWSS) during their extended usage period. A state-of-the-art nuclear structural health monitoring (N-SHM) system based on in-situ sensing technologies that monitor material degradation and aging for nuclear spent fuel DCSS and similar structures is being developed. The N-SHM technology uses permanently installed low-profile piezoelectric wafer sensors to perform long-term health monitoring by strategically using a combined impedance (EMIS), acoustic emission (AE), and guided ultrasonic wave (GUW) approach, called "multi-mode sensing", which is conducted by the same network of installed sensors activated in a variety of ways. The system will detect AE events resulting from crack (case for study in this project) and evaluate the damage evolution; when significant AE is detected, the sensor network will switch to the GUW mode to perform damage localization, and quantification as well as probe "hot spots" that are prone to damage for material degradation evaluation using EMIS approach. The N-SHM is expected to eventually provide a systematic methodology for assessing and monitoring nuclear waste storage systems without incurring human radiation exposure. C1 [Sun, Xiaoyi; Lin, Bin; Bao, Jingjing; Giurgiutiu, Victor; Knight, Travis; Yu, Lingyu] Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. [Lam, Poh-Sang] Savannah River Natl Lab, Aiken, SC USA. RP Sun, XY (reprint author), Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. RI GIURGIUTIU, VICTOR/B-3137-2012; Bao, Jingjing/A-1473-2010 OI Bao, Jingjing/0000-0003-0294-6492 NR 12 TC 0 Z9 0 U1 2 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-542-1 J9 PROC SPIE PY 2015 VL 9439 AR 94390N DI 10.1117/12.2085045 PG 10 WC Energy & Fuels; Engineering, Electrical & Electronic; Optics; Physics, Applied SC Energy & Fuels; Engineering; Optics; Physics GA BC8OE UT WOS:000355931700016 ER PT J AU Yager, KG Forrey, C Singh, G Satija, SK Page, KA Patton, DL Douglas, JF Jones, RL Karim, A AF Yager, Kevin G. Forrey, Christopher Singh, Gurpreet Satija, Sushil K. Page, Kirt A. Patton, Derek L. Douglas, Jack F. Jones, Ronald L. Karim, Alamgir TI Thermally-induced transition of lamellae orientation in block-copolymer films on 'neutral' nanoparticle-coated substrates SO SOFT MATTER LA English DT Article ID SYMMETRIC DIBLOCK COPOLYMER; MOVING TEMPERATURE-GRADIENT; ORDER-DISORDER TRANSITION; SELECTIVELY ASSOCIATING HOMOPOLYMER; THIN-FILMS; PHASE-BEHAVIOR; CYLINDRICAL DOMAINS; PERPENDICULAR ORIENTATION; PATTERN-FORMATION; ELECTRIC-FIELD AB Block-copolymer orientation in thin films is controlled by the complex balance between interfacial free energies, including the inter-block segregation strength, the surface tensions of the blocks, and the relative substrate interactions. While block-copolymer lamellae orient horizontally when there is any preferential affinity of one block for the substrate, we recently described how nanoparticle-roughened substrates can be used to modify substrate interactions. We demonstrate how such 'neutral' substrates can be combined with control of annealing temperature to generate vertical lamellae orientations throughout a sample, at all thicknesses. We observe an orientational transition from vertical to horizontal lamellae upon heating, as confirmed using a combination of atomic force microscopy (AFM), neutron reflectometry (NR) and rotational small-angle neutron scattering (RSANS). Using molecular dynamics (MD) simulations, we identify substrate-localized distortions to the lamellar morphology as the physical basis of the novel behavior. In particular, under strong segregation conditions, bending of horizontal lamellae induce a large energetic cost. At higher temperatures, the energetic cost of conformal deformations of lamellae over the rough substrate is reduced, returning lamellae to the typical horizontal orientation. Thus, we find that both surface interactions and temperature play a crucial role in dictating block-copolymer lamellae orientation. Our combined experimental and simulation findings suggest that controlling substrate roughness should provide a useful and robust platform for controlling block-copolymer orientation in applications of these materials. C1 [Yager, Kevin G.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Forrey, Christopher] US FDA, Ctr Devices & Radiol Hlth, Silver Spring, MD USA. [Singh, Gurpreet; Karim, Alamgir] Univ Akron, Dept Polymer Engn, Akron, OH 44325 USA. [Satija, Sushil K.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Page, Kirt A.; Douglas, Jack F.; Jones, Ronald L.] NIST, Div Polymers, Gaithersburg, MD 20899 USA. [Patton, Derek L.] Univ So Mississippi, Sch Polymers & High Performance Mat, Hattiesburg, MS 39406 USA. RP Yager, KG (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM kyager@bnl.gov; alamgir@uakron.edu RI Yager, Kevin/F-9804-2011 OI Yager, Kevin/0000-0001-7745-2513 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Work carried out in part in the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. We thank the Division of Electrical and Software Engineering (FDA) for use of the high performance computing facilities and the Division of Imaging and Applied Mathematics (FDA) for additional computational time. Acknowledgment by AK is made to the Donors of the American Chemical Society Petroleum Research Fund, New Directions (ACS-PRF ND) for partial support of this research. NR 85 TC 6 Z9 6 U1 6 U2 30 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 2015 VL 11 IS 25 BP 5154 EP 5167 DI 10.1039/c5sm00896d PG 14 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA CK7EM UT WOS:000356394400020 PM 26053660 ER PT S AU Kovacs, E Zorn, JA Huang, YJ Barros, T Kuriyan, J AF Kovacs, Erika Zorn, Julie Anne Huang, Yongjian Barros, Tiago Kuriyan, John BE Kornberg, RD TI A Structural Perspective on the Regulation of the Epidermal Growth Factor Receptor SO ANNUAL REVIEW OF BIOCHEMISTRY, VOL 84 SE Annual Review of Biochemistry LA English DT Review; Book Chapter DE receptor tyrosine kinase; ligand-induced dimerization; asymmetric dimer; oncogenic mutations; transmembrane coupling ID TYROSINE KINASE DOMAIN; FACTOR EGF RECEPTOR; CRYSTAL-STRUCTURE; TRANSMEMBRANE DOMAIN; JUXTAMEMBRANE DOMAIN; LIGAND-BINDING; CELL-SURFACE; NEGATIVE COOPERATIVITY; ALLOSTERIC ACTIVATION; EXTRACELLULAR REGION AB The epidermal growth factor receptor (EGER) is a receptor tyrosine kinase that plays a critical role in the pathogenesis of many cancers. The structure of intact forms of this receptor has yet to be determined, but intense investigations of fragments of the receptor have provided a detailed view of its activation mechanism, which we review here. Ligand binding converts the receptor to a dimeric form, in which contacts are restricted to the receptor itself, allowing heterodimerization of the four EGFR family members without direct ligand involvement. Activation of the receptor depends on the formation of an asymmetric dimer of kinase domains, in which one kinase domain allostericallv activates the other. Coupling between the extracellular and intracellular domains may involve a switch between alternative crossings of the transmembrane helices, which form dimeric structures. We also discuss how- receptor regulation is compromised by oncogenic mutations and the structural basis for negative cooperativitv in ligand binding. C1 [Kovacs, Erika; Zorn, Julie Anne; Huang, Yongjian; Barros, Tiago; Kuriyan, John] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Kuriyan, John] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Kovacs, Erika; Zorn, Julie Anne; Huang, Yongjian; Barros, Tiago; Kuriyan, John] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Kovacs, Erika; Zorn, Julie Anne; Huang, Yongjian; Barros, Tiago; Kuriyan, John] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Kuriyan, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Kovacs, E (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM kovacs@berkeley.edu; jazorn@berkeley.edu; yjhuang@berkeley.edu; tiago@berkeley.edu; kuriyan@berkeley.edu OI Barros, Tiago/0000-0002-9807-7625 FU Howard Hughes Medical Institute; NCI NIH HHS [2-R01-CA096504-06, F32 CA177087-02, R01 CA096504] NR 135 TC 31 Z9 31 U1 8 U2 23 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 0066-4154 BN 978-0-8243-0884-1 J9 ANNU REV BIOCHEM JI Annu. Rev. Biochem.. PY 2015 VL 84 BP 739 EP 764 DI 10.1146/annurev-biochem-060614-034402 PG 26 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BC8LD UT WOS:000355765300028 PM 25621509 ER PT J AU Jun, JMV Altoe, MVP Aloni, S Zuckermann, RN AF Jun, Joo Myung V. Altoe, M. Virginia P. Aloni, Shaul Zuckermann, Ronald N. TI Peptoid nanosheets as soluble, two-dimensional templates for calcium carbonate mineralization SO CHEMICAL COMMUNICATIONS LA English DT Article ID MECHANICAL-PROPERTIES; CACO3 MINERALIZATION; THIN-FILMS; NACRE; COMPOSITES; CRYSTALS; DESIGN; GROWTH; BIOMINERALIZATION; CRYSTALLIZATION AB Nacre-mimetic materials are of great interest, but difficult to synthesize, because they require the ordering of organic and inorganic materials on several length scales. Here we introduce peptoid nanosheets as a versatile two-dimensional platform to develop nacre mimetic materials. Free-floating zwitterionic nanosheets were mineralized with thin films of amorphous calcium carbonate (of 2-20 nm thickness) on their surface to produce planar nacre synthons. These can serve as tunable building blocks to produce layered brick and mortar nanoarchitectures. C1 [Jun, Joo Myung V.; Altoe, M. Virginia P.; Aloni, Shaul; Zuckermann, Ronald N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Zuckermann, RN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM rnzuckermann@lbl.gov RI Foundry, Molecular/G-9968-2014 FU Defense Threat Reduction Agency [DTRA10027-15875]; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX This project was funded by the Defense Threat Reduction Agency under Contract No. DTRA10027-15875. The work was conducted at the Molecular Foundry at Lawrence Berkeley National Laboratory, which is supported by the Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC02-05CH11231. NR 39 TC 6 Z9 6 U1 5 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 50 BP 10218 EP 10221 DI 10.1039/c5cc03323c PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CK2DR UT WOS:000356021300033 PM 26021742 ER PT J AU Kan, WH Huq, A Manthiram, A AF Kan, W. H. Huq, A. Manthiram, A. TI The first Fe-based Na+-ion cathode with two distinct types of polyanions: Fe3P5SiO19 SO CHEMICAL COMMUNICATIONS LA English DT Article ID CRYSTAL-STRUCTURE; BATTERIES; ELECTRODE; BOND; PATHWAYS; VALENCE AB Herein, we report the synthesis, structure, and electrochemistry of the first Na+-ion cathode with two distinct types of polyanions: Fe3P5SiO19. The Fe-based cathode has a reversible capacity of ca. 70 mA h g(-1); ca. 1.7 Na+ ions per formula can be inserted/extracted at an average voltage of 2.5 V versus Na+/Na. C1 [Kan, W. H.; Manthiram, A.] Univ Texas Austin, Electrochem Energy Lab, Mat Sci & Engn Program, Austin, TX 78712 USA. [Huq, A.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN USA. RP Manthiram, A (reprint author), Univ Texas Austin, Electrochem Energy Lab, Mat Sci & Engn Program, Austin, TX 78712 USA. EM manth@austin.utexas.edu RI Huq, Ashfia/J-8772-2013 OI Huq, Ashfia/0000-0002-8445-9649 FU National Science Foundation Materials Interdisciplinary Research Team (MIRT) [DMR-1122603]; Welch Foundation [F-1254]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported by the National Science Foundation Materials Interdisciplinary Research Team (MIRT) grant DMR-1122603 and the Welch Foundation grant F-1254. We thank Dr Maxim Avdeev at the Bragg Institute, Australian Nuclear Science and Technology Organisation (ANSTO), for helping with 3DBVSMAPPER. The neutron diffraction measurement at the Spallation Neutron Source Powgen beamline at the Oak Ridge National Laboratory was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. We appreciate the help of Drs Melanie Kirkham and Pamela Whitfield with the POWGEN instrument. NR 18 TC 4 Z9 4 U1 0 U2 6 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 52 BP 10447 EP 10450 DI 10.1039/c5cc03070f PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CK5WT UT WOS:000356298400014 PM 26027701 ER PT J AU Ho, MH O'Hagan, M Dupuis, M DuBois, DL Bullock, RM Shaw, WJ Raugei, S AF Ho, Ming-Hsun O'Hagan, Molly Dupuis, Michel DuBois, Daniel L. Bullock, R. Morris Shaw, Wendy J. Raugei, Simone TI Water-assisted proton delivery and removal in bio-inspired hydrogen production catalysts SO DALTON TRANSACTIONS LA English DT Article ID CYCLIC DIPHOSPHINE LIGANDS; COUPLED ELECTRON-TRANSFER; PENDANT NITROGEN BASES; H-2 PRODUCTION; ELECTROCATALYTIC OXIDATION; NICKEL ELECTROCATALYST; COORDINATION SPHERES; RECENT PROGRESS; IRON COMPLEXES; BASIS-SET AB Electrocatalysts for H-2 production are envisioned to play an important role in renewable energy utilization systems. Nickel-based catalysts featuring pendant amines functioning as proton relays in the second coordination sphere of the metal center have led to catalysts achieving turnover frequencies as high as 10(7) s(-1) for H-2 production. The fastest rates are observed when water is present in solution, with rates up to 103 times faster than those found in dry solvent. The focus of this paper is to provide mechanistic insight into the unexpected enhancement due to water. Addition of H-2 to [Ni(P-Cy N-2(2)R')(2)](2+) was previously shown to give three isomers of a Ni(0) product with two protonated amines, where the N-H can be endo or exo to the Ni. By investigating the deprotonation of these two N-protonated Ni(0) intermediates resulting from the addition of H-2 to [Ni((P2N2R')-N-Cy)(2)](2+), we observe by NMR spectroscopy studies an enhancement in the rate of deprotonation for protons positioned on the pendant amine next to the metal (endo) vs. protons that are positioned away from the metal (exo). Computational studies suggest that for smaller bases, the desolvation energy of the exogenous base is the primary contribution limiting the rate of endo deprotonation, while steric accessibility and facile proton movement also contribute. For more bulky bases, steric accessibility can play the dominant role. The significant reduction in these barriers observed in the presence of water has important implications for disfavoring less productive catalytic pathways and increasing catalytic rates. C1 [Ho, Ming-Hsun; O'Hagan, Molly; Dupuis, Michel; DuBois, Daniel L.; Bullock, R. Morris; Shaw, Wendy J.; Raugei, Simone] Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Richland, WA 99352 USA. RP Shaw, WJ (reprint author), Pacific NW Natl Lab, Ctr Mol Electrocatalysis, POB 999,K2-57, Richland, WA 99352 USA. EM wendy.shaw@pnnl.gov; simone.raugei@pnnl.gov RI Bullock, R. Morris/L-6802-2016 OI Bullock, R. Morris/0000-0001-6306-4851 FU Center for Molecular Electrocatalysis, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; DOE's Office of Biological and Environmental Research FX This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. W.J.S. acknowledges the Office of Science Early Career Research Program through the US Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy. Computer Resources were provided by the W.R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility located at Pacific Northwest National Laboratory and sponsored by DOE's Office of Biological and Environmental Research. Computer resources were also provided by the National Energy Research Computing Center (NERSC) at the Lawrence Berkeley National Laboratory. NR 57 TC 13 Z9 13 U1 6 U2 31 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 2015 VL 44 IS 24 BP 10969 EP 10979 DI 10.1039/c5dt00782h PG 11 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CK2QT UT WOS:000356056900012 PM 25999141 ER PT J AU Stevens, G Van Buren, K Wheeler, E Atamturktur, S AF Stevens, Garrison Van Buren, Kendra Wheeler, Elizabeth Atamturktur, Sez TI Evaluating the fidelity and robustness of calibrated numerical model predictions An application on a wind turbine blade SO ENGINEERING COMPUTATIONS LA English DT Article DE Uncertainty quantification; Validation; Experimental modal analysis; Prediction accuracy; Self-consistency; Test-analysis correlation ID WAKE AERODYNAMICS; UNCERTAINTY; IDENTIFICATION; VALIDATION; DAMAGE AB Purpose - Numerical models are being increasingly relied upon to evaluate wind turbine performance by simulating phenomena that are infeasible to measure experimentally. These numerical models, however, require a large number of input parameters that often need to be calibrated against available experiments. Owing to the unavoidable scarcity of experiments and inherent uncertainties in measurements, this calibration process may yield non-unique solutions, i.e. multiple sets of parameters may reproduce the available experiments with similar fidelity. The purpose of this paper is to study the trade-off between fidelity to measurements and the robustness of this fidelity to uncertainty in calibrated input parameters. Design/methodology/approach - Here, fidelity is defined as the ability of the model to reproduce measurements and robustness is defined as the allowable variation in the input parameters with which the model maintains a predefined level of threshold fidelity. These two vital attributes of model predictiveness are evaluated in the development of a simplified finite element beam model of the CX-100 wind turbine blade. Findings - Findings of this study show that calibrating the input parameters of a numerical model with the sole objective of improving fidelity to available measurements degrades the robustness of model predictions at both tested and untested settings. A more optimal model may be obtained by calibration methods considering both fidelity and robustness. Multi-criteria Decision Making further confirms the conclusion that the optimal model performance is achieved by maintaining a balance between fidelity and robustness during calibration. Originality/value - Current methods for model calibration focus solely on fidelity while the authors focus on the trade-off between fidelity and robustness. C1 [Stevens, Garrison; Wheeler, Elizabeth; Atamturktur, Sez] Clemson Univ, Glenn Dept Civil Engn, Clemson, SC 29634 USA. [Van Buren, Kendra] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM USA. RP Atamturktur, S (reprint author), Clemson Univ, Glenn Dept Civil Engn, Clemson, SC 29634 USA. EM sez@clemson.edu OI Van Buren, Kendra/0000-0002-0495-2354 NR 38 TC 0 Z9 0 U1 0 U2 8 PU EMERALD GROUP PUBLISHING LIMITED PI BINGLEY PA HOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W YORKSHIRE, ENGLAND SN 0264-4401 EI 1758-7077 J9 ENG COMPUTATION JI Eng. Comput. PY 2015 VL 32 IS 3 BP 621 EP 642 DI 10.1108/EC-09-2013-0217 PG 22 WC Computer Science, Interdisciplinary Applications; Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Computer Science; Engineering; Mathematics; Mechanics GA CJ9NS UT WOS:000355829900004 ER PT J AU Leow, S Witter, JR Vardon, DR Sharma, BK Guest, JS Strathmann, TJ AF Leow, Shijie Witter, John R. Vardon, Derek R. Sharma, Brajendra K. Guest, Jeremy S. Strathmann, Timothy J. TI Prediction of microalgae hydrothermal liquefaction products from feedstock biochemical composition SO GREEN CHEMISTRY LA English DT Article ID WASTE-WATER TREATMENT; FREE FATTY-ACIDS; SUBCRITICAL WATER; ALGAL BIOMASS; NANNOCHLOROPSIS SP; THERMOCHEMICAL LIQUEFACTION; RAPID SEPARATION; VEGETABLE-OILS; BATCH CULTURE; FLOW REACTOR AB Hydrothermal liquefaction (HTL) uses water under elevated temperatures and pressures (200-350 degrees C, 5-20 MPa) to convert biomass into liquid "biocrude" oil. Despite extensive reports on factors influencing microalgae cell composition during cultivation and separate reports on HTL products linked to cell composition, the field still lacks a quantitative model to predict HTL conversion product yield and qualities from feedstock biochemical composition; the tailoring of microalgae feedstock for downstream conversion is a unique and critical aspect of microalgae biofuels that must be leveraged upon for optimization of the whole process. This study developed predictive relationships for HTL biocrude yield and other conversion product characteristics based on HTL of Nannochloropsis oculata batches harvested with a wide range of compositions (23-59% dw lipids, 58-17% dw proteins, 12-22% dw carbohydrates) and a defatted batch (0% dw lipids, 75% dw proteins, 19% dw carbohydrates). HTL biocrude yield (33-68% dw) and carbon distribution (49-83%) increased in proportion to the fatty acid (FA) content. A component additivity model (predicting biocrude yield from lipid, protein, and carbohydrates) was more accurate predicting literature yields for diverse microalgae species than previous additivity models derived from model compounds. FA profiling of the biocrude product showed strong links to the initial feedstock FA profile of the lipid component, demonstrating that HTL acts as a water-based extraction process for FAs; the remainder non-FA structural components could be represented using the defatted batch. These findings were used to introduce a new FA-based model that predicts biocrude oil yields along with other critical parameters, and is capable of adjusting for the wide variations in HTL methodology and microalgae species through the defatted batch. The FA model was linked to an upstream cultivation model (Phototrophic Process Model), providing for the first time an integrated modeling framework to overcome a critical barrier to microalgae-derived HTL biofuels and enable predictive analysis of the overall microalgal-to-biofuel process. C1 [Leow, Shijie; Witter, John R.; Vardon, Derek R.; Guest, Jeremy S.; Strathmann, Timothy J.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. [Vardon, Derek R.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Sharma, Brajendra K.] Univ Illinois, Illinois Sustainable Technol Ctr, Champaign, IL 61801 USA. RP Leow, S (reprint author), Univ Illinois, Dept Civil & Environm Engn, 205 N Mathews Ave, Urbana, IL 61801 USA. EM strthmnn@mines.edu RI Strathmann, Timothy/K-7606-2012; Vardon, Derek/B-8249-2017 OI Strathmann, Timothy/0000-0002-7299-3115; Vardon, Derek/0000-0002-0199-4524 FU National Science Foundation [1438667, 1438218]; National Research Foundation Singapore under National Research Foundation (NRF) Environmental and Water Technologies (EWT) PhD Scholarship Programme FX This material is based upon work supported by the National Science Foundation under grant no. 1438667 and 1438218. SL is supported by the National Research Foundation Singapore under its National Research Foundation (NRF) Environmental and Water Technologies (EWT) PhD Scholarship Programme and administered by the Environment and Water Industry Programme Office (EWI). We thank Ian Bradley (CEE, UIUC) and Dheeptha Murali (ISTC) for help with microalgae cultivation and biocrude characterization, respectively. We thank John Scott and Susan Barta at ISTC for help with TOC analysis. The authors thank Kelly Pisanko (College of Fine and Applied Arts, UIUC) for assistance in graphic design (Fig. 1, 8 and the TOC figure). NR 57 TC 16 Z9 16 U1 14 U2 42 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PY 2015 VL 17 IS 6 BP 3584 EP 3599 DI 10.1039/c5gc00574d PG 16 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA CK0WK UT WOS:000355925900045 ER PT J AU Zhu, MM Nan, TX Liu, M Ren, W Zhou, ZY Sun, NX AF Zhu, Mingmin Nan, Tianxiang Liu, Ming Ren, Wei Zhou, Ziyao Sun, Nian X. TI Voltage Tuning of Ferromagnetic Resonance and Linewidth in Spinel Ferrite/Ferroelectric Multiferroic Heterostructures SO IEEE MAGNETICS LETTERS LA English DT Article DE Magnetic resonance; Couplings; Ferrites; Perpendicular magnetic anisotropy; Magnetic domains; Electric fields; Microwave devices; Multiferroics; Magnetoelectric Coupling; Spinel ferrites AB An energy efficient approach is demonstrated to remarkably shift the ferromagnetic resonance (FMR) field by applying an electric field to various spinel ferrite/ferroelectric multiferroic heterostructures prepared by the low temperature spin-spray technique. The electric field-induced magnetic anisotropy changes, as well as the magnetoelectric (ME) coupling coefficient, were quantitatively determined in all multiferroic heterostructures. The broadness of FMR linewidth upon applying an electric field indicates that inhomogeneous ME coupling takes place, which arises from the ferrroelastic domain switching and polarization elongation. These results provide a framework for realizing compact, light-weight, and ultralow power electronics and microwave devices. C1 [Zhu, Mingmin; Liu, Ming; Ren, Wei] Xi An Jiao Tong Univ, Key Lab, Elect Mat Res Lab, Minist Educ, Xian 710049, Peoples R China. [Zhu, Mingmin; Liu, Ming; Ren, Wei] Xi An Jiao Tong Univ, Int Ctr Dielect Res, Xian 710049, Peoples R China. [Nan, Tianxiang; Sun, Nian X.] Northeastern Univ, Dept Elect & Comp Engn, Boston, MA 02115 USA. [Zhou, Ziyao] Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA. RP Liu, M (reprint author), Xi An Jiao Tong Univ, Key Lab, Elect Mat Res Lab, Minist Educ, Xian 710049, Peoples R China. EM mingliu@mail.xjtu.edu.cn; wren@mail.xjtu.edu.cn RI Zhou, Ziyao/N-8398-2015; Nan, Tianxiang/O-3820-2015; Nan, Tianxiang/A-8020-2016; Sun, Nian Xiang/F-9590-2010; Liu, Ming/B-4143-2009 OI Zhou, Ziyao/0000-0002-2389-1673; Sun, Nian Xiang/0000-0002-3120-0094; Liu, Ming/0000-0002-6310-948X FU Natural Science Foundation of China [51472199, 51332003]; National 111 Project of China [B14040]; Fundamental Research Funds for the Central Universities; Recruitment Program of Global Youth Experts FX This work was supported by the Natural Science Foundation of China under Grant 51472199, 51332003, the National 111 Project of China (B14040), and the Fundamental Research Funds for the Central Universities. The work of M. Liu was supported by the Recruitment Program of Global Youth Experts. NR 26 TC 2 Z9 2 U1 2 U2 20 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-307X J9 IEEE MAGN LETT JI IEEE Magn. Lett. PY 2015 VL 6 BP 1 EP 4 AR 2500204 DI 10.1109/LMAG.2015.2425360 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA CK4CB UT WOS:000356165500001 ER PT J AU Biswal, HS Bhattacharyya, S Bhattacherjee, A Wategaonkar, S AF Biswal, Himansu S. Bhattacharyya, Surjendu Bhattacherjee, Aditi Wategaonkar, Sanjay TI Nature and strength of sulfur-centred hydrogen bonds: laser spectroscopic investigations in the gas phase and quantum-chemical calculations SO INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY LA English DT Review DE Sulfur centred hydrogen bond; hydrogen sulphide; methionine; phenylalanine; dipeptides; ZEKE spectroscopy; Birge-Sponer; S-H center dot center dot center dot O interaction; O-H center dot center dot center dot S interaction; N-H center dot center dot center dot S interaction; S-H center dot center dot center dot pi interaction ID CENTER-DOT-S; VAN-DER-WAALS; AB-INITIO CALCULATIONS; ANALYZED THRESHOLD IONIZATION; INFRARED MATRIX-ISOLATION; ISOLATION VIBRATIONAL-SPECTRA; KINETIC-ENERGY PHOTOELECTRON; ACID-BASE FORMALISM; N-BODY CLUSTERS; C-H BONDS AB The importance of Sulfur centred hydrogen bonds (SCHBs) cannot be underestimated given the current day knowledge of its non-covalent interactions prevalent in many biopolymers as well as in organic systems. Based on the distance/angle constraints available from the structural database, these interactions have been interchangeably termed as van der Waals/hydrogen bonded complexes. There is a lack of sufficient spectroscopic evidence that can unequivocally term these interactions as hydrogen bonding interactions. In this review we present laser spectroscopic investigations of isolated binary complexes of H-bond donor-acceptor molecules containing Sulfur atom. The complexes were formed using supersonic jet expansion method and the IR/UV spectroscopic investigations were carried out on mass selected binary complexes. The pertinent questions regarding SCHBs addressed herein are (1) Is electronegativity the controlling factor to be a potent H-bond donor/acceptor? (2) How do SCHBs compare with their oxygen counterpart? (3) What is the nature of SCHBs, i.e. what are the dominating forces in stabilising these hydrogen bonds? (4) Do SCHBs follow classical H-bond acid-base formalism? (5) Are SCHBs found in peptides and proteins? If so, what are their strengths? Do they control the structure of the peptides? The experimental investigations were also supported by high level of ab initio computations. C1 [Biswal, Himansu S.] Natl Inst Sci Educ & Res, Sch Chem Sci, Inst Phys Campus, Bhubaneswar 751005, Odisha, India. [Bhattacharyya, Surjendu; Bhattacherjee, Aditi; Wategaonkar, Sanjay] Tata Inst Fundamental Res, Dept Chem Sci, Bombay 400005, Maharashtra, India. [Bhattacharyya, Surjendu] Acad Sinica, IAMS, Taipei 115, Taiwan. [Bhattacherjee, Aditi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Wategaonkar, S (reprint author), Tata Inst Fundamental Res, Dept Chem Sci, Homi Bhabha Rd, Bombay 400005, Maharashtra, India. EM sanwat@tifr.res.in OI Biswal, Himansu S./0000-0003-0791-2259 FU French National Research Agency (ANR) [ANR-08-BLAN-0158-01]; 'Triangle de la Physique' Foundation [2008-053TSERP-BIO]; MEXT Japan [26108504, 2507]; JSPS [26288002] FX Most of the work reported in this review was supported by TIFR, India. The work reported in Ref. 113 was supported by the French National Research Agency (ANR) [grant number ANR-08-BLAN-0158-01] and the 'Triangle de la Physique' Foundation [grant number 2008-053TSERP-BIO]. The work reported in Ref. 136 and 159 was supported by the Grant-in-Aid for Scientific Research [project number 26108504 on Innovative Area [2507] from MEXT Japan and number 26288002 from JSPS]. NR 239 TC 9 Z9 9 U1 9 U2 45 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0144-235X EI 1366-591X J9 INT REV PHYS CHEM JI Int. Rev. Phys. Chem. PY 2015 VL 34 IS 1 BP 99 EP 160 DI 10.1080/0144235X.2015.1022946 PG 62 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CK4VG UT WOS:000356220800004 ER PT J AU Perriot, R Uberuaga, BP AF Perriot, Romain Uberuaga, Blas P. TI Structural vs. intrinsic carriers: contrasting effects of cation chemistry and disorder on ionic conductivity in pyrochlores (vol 3, pg 11554, 2015) SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Correction C1 [Perriot, Romain; Uberuaga, Blas P.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Perriot, R (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. EM rperriot@lanl.gov NR 1 TC 0 Z9 0 U1 2 U2 5 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 2015 VL 3 IS 23 BP 12557 EP 12557 DI 10.1039/c5ta90115d PG 1 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CJ8FX UT WOS:000355736700053 ER PT J AU Wang, HY Ding, YM Lai, YB Sun, ZW Liu, Y Jiang, B Chen, M Yao, J Liu, F Russell, TP AF Wang, Hongyu Ding, Yimin Lai, Yanbang Sun, Zhiwei Liu, Yao Jiang, Bin Chen, Ming Yao, Jian Liu, Feng Russell, Thomas P. TI Ethynylene-linked benzo[1,2-b:4,5-b ']dithiophene-alt-diketopyrrolopyrrole alternating copolymer: optoelectronic properties, film morphology and photovoltaic applications SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID POLYMER SOLAR-CELLS; INTRAMOLECULAR CHARGE-TRANSFER; POWER CONVERSION EFFICIENCY; FIELD-EFFECT TRANSISTORS; OPEN-CIRCUIT VOLTAGE; SMALL-MOLECULE; CONJUGATED POLYMERS; POLY(PHENYLENE ETHYNYLENE); SIMULTANEOUS ENHANCEMENT; ORGANIC PHOTOVOLTAICS AB An ethynylene-linked benzo[1,2-b: 4,5-b']dithiophene-alt-diketopyrrolopyrrole alternating copolymer, EDPP, was designed and synthesized to improve the open-circuit voltage of organic solar cells. The influence of the ethynylene on optoelectronic properties, energy levels, crystallinity, film morphology, and photovoltaic performance was investigated. Optical and electrochemical tests showed that introduction of ethynylene into the polymer backbone resulted in a larger bandgap, deeper HOMO energy level, and enhanced crystallinity due to the planar conformation and electron-withdrawing properties. Grazing incidence wide-angle X-ray scattering (GIWAXS) showed that the pure EDPP film preferentially adopted a face-on orientation with a pi-pi stacking distance of 3.65 angstrom. After thermal annealing the face-on and edge-on orientations coexisted and the overall degree of crystallinity increased. Blending with PC71BM did not disrupt the crystallinity of the EDPP. Resonant soft X-ray scattering (RSoXS) showed that the EDPP: PC71BM blend films contained large domains, a few hundred nanometers in size. As a result, EDPP: PC71BM photovoltaic devices exhibited a high open-circuit voltage of 0.88 V, but a low short-circuit current, with a moderate power conversion efficiency of 1.98%. C1 [Wang, Hongyu; Ding, Yimin; Lai, Yanbang; Jiang, Bin; Chen, Ming; Yao, Jian] Shanghai Univ, Dept Chem, Shanghai 200444, Peoples R China. [Wang, Hongyu] Fudan Univ, State Key Lab Mol Engn Polymers, Shanghai 200433, Peoples R China. [Liu, Feng; Russell, Thomas P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA. [Sun, Zhiwei; Liu, Yao; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. RP Wang, HY (reprint author), Shanghai Univ, Dept Chem, Shanghai 200444, Peoples R China. EM wanghy@shu.edu.cn; iamfengliu@gmail.com; Russell@mail.pse.umass.edu RI Foundry, Molecular/G-9968-2014; Liu, Feng/J-4361-2014; liu, yao/H-2534-2016 OI Liu, Feng/0000-0002-5572-8512; FU National Natural Science Foundation of China [61204020]; Polymer-Based Materials for Harvesting Solar Energy (PHaSE), an Energy Frontier Research Center - U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001087]; DOE, Office of Science, and Office of Basic Energy Sciences FX This work was financially supported by the National Natural Science Foundation of China (Grant nos 61204020). FL and TPR were supported by Polymer-Based Materials for Harvesting Solar Energy (PHaSE), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences under award number DE-SC0001087. Portions of this research were carried out at beamline 7.3.3 and 11.0.1.2 at the Advanced Light Source, and Molecular Foundry, Lawrence Berkeley National Laboratory, which was supported by the DOE, Office of Science, and Office of Basic Energy Sciences. NR 60 TC 4 Z9 4 U1 5 U2 29 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 2015 VL 3 IS 24 BP 12972 EP 12981 DI 10.1039/c5ta01004g PG 10 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CK2EG UT WOS:000356022800049 ER PT J AU Xu, GL Qin, Y Ren, Y Cai, L An, K Amine, K Chen, ZH AF Xu, Gui-Liang Qin, Yan Ren, Yang Cai, Lu An, Ke Amine, Khalil Chen, Zonghai TI The migration mechanism of transition metal ions in LiNi0.5Mn1.5O4 SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID RECHARGEABLE LITHIUM BATTERIES; CATHODE MATERIALS; HIGH-CAPACITY; VOLTAGE FADE; ELECTRONIC PROPERTIES; HIGH-PERFORMANCE; SPINEL CATHODES; LAYERED OXIDES; SITE DISORDER; X-RAY AB The migration of transition metal ions in the oxygen framework was recently proposed to be responsible for the continuous loss of average working potential of high energy density layered-layered composite cathodes for lithium-ion batteries. The potential migration pathway in a model material, LiNi0.5Mn1.5O4 spinel, was investigated using in situ high-energy X-ray diffraction and in situ neutron diffraction during the solid state synthesis process. It was found that the migration of transition metal ions among octahedral sites is possible by using tetrahedral vacancies as intermediate sites. It was also suggested that the number of electrons in 3d orbitals has a significant impact on their mobility in the hosting oxygen framework. C1 [Xu, Gui-Liang; Qin, Yan; Amine, Khalil; Chen, Zonghai] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA. [Cai, Lu; An, Ke] Oak Ridge Natl Lab, Spallat Neutron Source, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. RP Chen, ZH (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Lemont, IL 60439 USA. EM zonghai.chen@anl.gov RI An, Ke/G-5226-2011; XU, GUILIANG/F-3804-2017 OI An, Ke/0000-0002-6093-429X; FU U.S. Department of Energy, Vehicle Technologies Office; U.S. Department of Energy [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science and Office of Basic Energy Sciences FX Research at the Argonne National Laboratory was funded by the U.S. Department of Energy, Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC02-06CH11357. The authors also acknowledge the use of the Advanced Photon Source of the Argonne National Laboratory and the Spallation Neutron Source of Oak Ridge National Laboratory supported by the U.S. Department of Energy, Office of Science and Office of Basic Energy Sciences. NR 54 TC 5 Z9 5 U1 9 U2 51 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 2015 VL 3 IS 24 BP 13031 EP 13038 DI 10.1039/c5ta02522b PG 8 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CK2EG UT WOS:000356022800055 ER PT J AU Martin, EJJ Berube, N Provencher, F Cote, M Silva, C Doorn, SK Grey, JK AF Martin, Eric J. J. Berube, Nicolas Provencher, Francoise Cote, Michel Silva, Carlos Doorn, Stephen K. Grey, John K. TI Resonance Raman spectroscopy and imaging of push-pull conjugated polymer-fullerene blends SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID LOW-BANDGAP POLYMER; HETEROJUNCTION SOLAR-CELLS; SOLVENT ADDITIVES; ORGANIC PHOTOVOLTAICS; ELECTRONIC-PROPERTIES; OPTICAL-PROPERTIES; CHARGE SEPARATION; RECOMBINATION; COPOLYMERS; EFFICIENCY AB Blends of alternating 'push-pull' donor/acceptor (d/a) co-polymers with soluble fullerenes as active materials have shown promise for increasing power conversion efficiencies in organic photovoltaic (OPV) devices. We investigate morphology-dependent optical and electronic properties of poly[2,6-(4,4bis-(2-ethylhexyl)-4H-cyclopenta[2,1-b; 3,4-b'] dithiophene)-alt-4,7(2,1,3-benzothiadiazole)] (PCPDTBT) blended with [6,6]-phenyl C-61 butyric acid methyl ester (PCBM) using electronic absorption and resonance Raman spectroscopies. Selective resonance excitation spanning the entire PCPDTBT absorption envelope (similar to 400-900 nm) was used to probe via Raman spectroscopy the degree of composition-and conformation-dependent charge transfer character along the polymer backbone. Raman intensities of characteristic PCPDTBT backbone donor/acceptor moieties vary with excitation wavelength. We perform density functional theory (DFT) calculations to assign Raman-active vibrational modes and correlate polymer backbone conformations to the degree of intra-chain donor/acceptor charge transfer character. We find the best agreement between experimental and simulated spectra for planarized PCPDTBT backbone consistent with strong charge transfer character along the backbone, which also gives rise to a new red-shifted absorption band appearing in PCBM blends. Resonance Raman and photocurrent imaging experiments were next used to spatially map morphology-dependent vibrational signatures of PCPDTBT donor/acceptor moieties within functioning solar cell devices. Solvent additives were applied using 1,8 octanedithiol (ODT) to modify PCPDTBT: PCBM morphologies and compared to as-cast blends. Raman and photocurrent C1 [Martin, Eric J. J.; Grey, John K.] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. [Berube, Nicolas; Provencher, Francoise; Cote, Michel; Silva, Carlos] Univ Montreal, Dept Phys & Regroupement Quebecois Mat Pointe, Montreal, PQ H3C 3J7, Canada. [Doorn, Stephen K.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM USA. RP Grey, JK (reprint author), Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. EM jkgrey@unm.edu RI Silva, Carlos/B-5153-2010; Cote, Michel/H-3942-2012 OI Silva, Carlos/0000-0002-3969-5271; Cote, Michel/0000-0001-9046-9491 FU Center for Integrated Nanotechnologies; Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; National Science Foundation [CHE-0955242]; NSERC; Canada Research Chair in Organic Semiconductor Materials FX This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. JKG acknowledges support form the National Science Foundation (CHE-0955242). CS acknowledges funding from NSERC and the Canada Research Chair in Organic Semiconductor Materials. NR 38 TC 5 Z9 6 U1 4 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-7526 EI 2050-7534 J9 J MATER CHEM C JI J. Mater. Chem. C PY 2015 VL 3 IS 23 BP 6058 EP 6066 DI 10.1039/c5tc00847f PG 9 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CK1TN UT WOS:000355990400022 ER PT J AU Pham, T Goldstein, AP Lewicki, JP Kucheyev, SO Wang, C Russell, TP Worsley, MA Woo, L Mickelson, W Zettl, A AF Thang Pham Goldstein, Anna P. Lewicki, James P. Kucheyev, Sergei O. Wang, Cheng Russell, Thomas P. Worsley, Marcus A. Woo, Leta Mickelson, William Zettl, Alex TI Nanoscale structure and superhydrophobicity of sp(2)-bonded boron nitride aerogels SO NANOSCALE LA English DT Article ID HIGH-SURFACE-AREA; X-RAY-SCATTERING; MECHANICAL-PROPERTIES; SENSING INDENTATION; GRAPHENE; WATER; FILMS; WETTABILITY; MORPHOLOGY; FRAMEWORKS AB Aerogels have much potential in both research and industrial applications due to their high surface area, low density, and fine pore size distribution. Here we report a thorough structural study of three-dimensional aerogels composed of highly crystalline sp(2)-bonded boron nitride (BN) layers synthesized by a carbothermic reduction process. The structure, crystallinity and bonding of the as-prepared BN aerogels are elucidated by X-ray diffraction, B-11 nuclear magnetic resonance, transmission electron microscopy, and resonant soft X-ray scattering. The macroscopic roughness of the aerogel's surface causes it to be superhydrophobic with a contact angle of similar to 155 degrees and exhibit high oil uptake capacity (up to 1500 wt%). The oil can be removed from the BN aerogel by oxidizing in air without damaging the crystalline porous structure of the aerogel or diminishing its oil absorption capacity. C1 [Thang Pham; Goldstein, Anna P.; Mickelson, William; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Thang Pham] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Thang Pham; Mickelson, William; Zettl, Alex] Univ Calif Berkeley, Ctr Integrated Nanomech Syst, Berkeley, CA 94720 USA. [Thang Pham; Goldstein, Anna P.; Zettl, Alex] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Thang Pham; Goldstein, Anna P.; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Goldstein, Anna P.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Lewicki, James P.; Kucheyev, Sergei O.; Worsley, Marcus A.; Woo, Leta] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Wang, Cheng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Conte Polymer Res Ctr, Amherst, MA 01003 USA. [Russell, Thomas P.; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM azettl@berkeley.edu RI Zettl, Alex/O-4925-2016; Wang, Cheng/A-9815-2014; OI Zettl, Alex/0000-0001-6330-136X; Worsley, Marcus/0000-0002-8012-7727; Goldstein, Anna/0000-0002-2710-8228 FU U.S. Department of Energy [DE-AC02-05CH11231]; UC Lab Fees Research Program [12-LR-235323]; Lawrence Livermore National Laboratory of the U.S. Department of Energy through LDRD [DE-AC52-07NA27344, 13-LW-099]; Air Force Office of Scientific Research [X10-8049-C]; Center of Integrated Nanomechanical Systems under NSF [EEC-0832819] FX This work was supported in part by the U.S. Department of Energy under Contract # DE-AC02-05CH11231 which provided for TEM and X-Ray characterization, including that performed at the National Center for Electron Microscopy, and RSoXS; the UC Lab Fees Research Program under award 12-LR-235323 which provided for graphene aerogel synthesis and BN aerogel precursors; by Lawrence Livermore National Laboratory under the auspices of the U.S. Department of Energy under Contract DE-AC52-07NA27344, through LDRD award 13-LW-099 which provided for mechanical and NMR measurements, and by the Air Force Office of Scientific Research under Grant X10-8049-C which provided for SEM and contact angle measurements. W. M. and A. Z. received support from the Center of Integrated Nanomechanical Systems under NSF Grant EEC-0832819. The authors thank Peter Ercius for assistance with collecting high-resolution TEM images, Ye Tian for helping with contact angle measurements, Dohyung Kim for assisting with XRD measurements, and Peidong Yang for providing XRD access. NR 43 TC 10 Z9 10 U1 17 U2 90 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 23 BP 10449 EP 10458 DI 10.1039/c5nr01672j PG 10 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CK1SJ UT WOS:000355987300018 PM 26007693 ER PT J AU Yang, L Fu, Q Wang, WH Huang, J Huang, JL Zhang, JY Xiang, B AF Yang, Lei Fu, Qi Wang, Wenhui Huang, Jian Huang, Jianliu Zhang, Jingyu Xiang, Bin TI Large-area synthesis of monolayered MoS2(1-x)Se2x with a tunable band gap and its enhanced electrochemical catalytic activity SO NANOSCALE LA English DT Article ID TRANSITION-METAL DICHALCOGENIDES; EFFICIENT HYDROGEN EVOLUTION; MOS2 ULTRATHIN NANOSHEETS; LAYER MOS2; ELECTRONIC-PROPERTIES; 2-DIMENSIONAL MOS2; EDGE SITES; PHOTOLUMINESCENCE; GROWTH; TRANSISTORS AB "Band gap engineering" in two-dimensional (2D) materials plays an important role in tailoring their physical and chemical properties. The tuning of the band gap is typically achieved by controlling the composition of the semiconductor alloys. However, large-area preparation of 2D alloys remains a major challenge. Here, we report the large-area synthesis of high-quality monolayered MoS2(1-x)Se2x with a size coverage of hundreds of microns using a chemical vapor deposition method. The photoluminescence (PL) spectroscopy results confirm the tunable band gap in MoS2(1-x)Se2x, which is modulated by varying the Se content. Atomic-scale analysis was performed and the chemical composition was characterized using high-resolution scanning transmission electron microscopy and X-ray photoemission spectroscopy. With the introduction of Se into monolayered MoS2, it leads to enhanced catalytic activity in an electrochemical reaction for hydrogen generation, compared to monolayered MoS2 and MoSe2. It is promising as a potential alternative to expensive noble metals. C1 [Yang, Lei; Fu, Qi; Wang, Wenhui; Huang, Jian; Xiang, Bin] Univ Sci & Technol China, CAS Key Lab Mat Energy Convers, Dept Mat Sci & Engn, Hefei 230026, Anhui, Peoples R China. [Yang, Lei; Xiang, Bin] Univ Sci & Technol China, Synerget Innovat Ctr Quantum Informat & Quantum P, Hefei 230026, Anhui, Peoples R China. [Huang, Jianliu] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. [Zhang, Jingyu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Xiang, B (reprint author), Univ Sci & Technol China, CAS Key Lab Mat Energy Convers, Dept Mat Sci & Engn, Hefei 230026, Anhui, Peoples R China. EM binxiang@ustc.edu.cn RI Xiang, Bin/C-9192-2012; Foundry, Molecular/G-9968-2014 FU National Natural Science Foundation of China [21373196, 11434009]; National Program for Thousand Young Talents of China; Fundamental Research Funds for the Central Universities [WK2340000050, WK2060140014] FX This work was supported by the National Natural Science Foundation of China (21373196, 11434009), the National Program for Thousand Young Talents of China and the Fundamental Research Funds for the Central Universities (WK2340000050, WK2060140014). NR 44 TC 13 Z9 13 U1 14 U2 96 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 23 BP 10490 EP 10497 DI 10.1039/c5nr02652k PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CK1SJ UT WOS:000355987300023 PM 26006089 ER PT J AU Li, GQ Varga, T Yan, PF Wang, ZG Wang, CM Chambers, SA Du, YG AF Li, Guoqiang Varga, Tamas Yan, Pengfei Wang, Zhiguo Wang, Chongmin Chambers, Scott A. Du, Yingge TI Crystallographic dependence of photocatalytic activity of WO3 thin films prepared by molecular beam epitaxy SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID OXIDIZATION ACTIVITY; TUNGSTEN-OXIDE; SURFACE; HYDROGEN; SIZE; PSEUDOPOTENTIALS; MICROCRYSTALS; NANOCRYSTALS; DEGRADATION; PERFORMANCE AB We investigated the impact of crystallographic orientation on the photocatalytic activity of single crystalline WO3 thin films prepared by molecular beam epitaxy on the photodegradation of rhodamine B (RhB). A clear effect is observed, with (111) being the most reactive surface, followed by (110) and (001). Photoreactivity is directly correlated with the surface free energy determined by density functional theory calculations. The RhB photodegradation mechanism is found to involve hydroxyl radicals in solution formed from photo-generated holes and differs from previous studies performed on nanoparticles and composites. C1 [Li, Guoqiang; Chambers, Scott A.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Li, Guoqiang] Henan Univ, Sch Phys & Elect, Key Lab Photovolta Mat Henan Prov, Kaifeng 475004, Peoples R China. [Varga, Tamas; Yan, Pengfei; Wang, Chongmin; Du, Yingge] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Wang, Zhiguo] Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. RP Wang, ZG (reprint author), Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. EM zgwang@uestc.edu.cn; yingge.du@pnnl.gov RI LI, Guoqiang/G-2745-2011; yan, pengfei/E-4784-2016; Wang, Zhiguo/B-7132-2009 OI LI, Guoqiang/0000-0002-2091-8105; yan, pengfei/0000-0001-6387-7502; FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [10122]; EMSL's Intramural Research and Capability Development Program; Henan University, China; National Natural Science Foundation of China [21103041]; Office of Biological and Environmental Research FX A portion of this work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award 10122. YD acknowledges support by EMSL's Intramural Research and Capability Development Program. GL acknowledges support by Henan University, China and the National Natural Science Foundation of China (21103041). This work was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a DOE User Facility sponsored by the Office of Biological and Environmental Research. The authors thank Z. Dohnalek and T. Kaspar for insightful discussions and help in proofreading the final manuscript. NR 44 TC 9 Z9 9 U1 3 U2 30 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2015 VL 17 IS 23 BP 15119 EP 15123 DI 10.1039/c5cp01344e PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CJ6VK UT WOS:000355632900007 PM 25989882 ER PT J AU Steirer, KX Garris, RL Li, JV Dzara, MJ Ndione, PF Ramanathan, K Repins, I Teeter, G Perkins, CL AF Steirer, K. Xerxes Garris, Rebekah L. Li, Jian V. Dzara, Michael J. Ndione, Paul F. Ramanathan, Kannan Repins, Ingrid Teeter, Glenn Perkins, Craig L. TI Co-solvent enhanced zinc oxysulfide buffer layers in Kesterite copper zinc tin selenide solar cells SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID CHEMICAL BATH DEPOSITION; ELECTRONIC-PROPERTIES; BAND-OFFSET; THIN-FILMS; EFFICIENCY; PERFORMANCE AB A co-solvent, dimethylsulfoxide (DMSO), is added to the aqueous chemical "bath'' deposition (CBD) process used to grow ZnOS buffer layers for thin film Cu2ZnSnSe4 (CZTSe) solar cells. Device performance improves markedly as fill factors increase from 0.17 to 0.51 upon the co-solvent addition. X-ray photoelectron spectroscopy (XPS) analyses are presented for quasi-in situ CZTSe/CBD-ZnOS interfaces prepared under an inert atmosphere and yield valence band offsets equal to -1.0 eV for both ZnOS preparations. When combined with optical band gap data, conduction band offsets exceed 1 eV for the water and the water/DMSO solutions. XPS measurements show increased downward band bending in the CZTSe absorber layer when the ZnOS buffer layer is deposited from water only. Admittance spectroscopy data shows that the ZnOS deposited from water increases the built-in potential (V-bi) yet these solar cells perform poorly compared to those made with DMSO added. The band energy offsets imply an alternate form of transport through this junction. Possible mechanisms are discussed, which circumvent the otherwise large conduction band spike between CZTSe and ZnOS, and improve functionality with the low-band gap absorber, CZTSe (E-g = 0.96 eV). C1 [Steirer, K. Xerxes; Garris, Rebekah L.; Li, Jian V.; Ndione, Paul F.; Ramanathan, Kannan; Repins, Ingrid; Teeter, Glenn; Perkins, Craig L.] Natl Renewable Energy Lab, Chem & Mat Sci, Golden, CO 80401 USA. [Dzara, Michael J.] Rochester Inst Technol, Dept Chem Engn, Rochester, NY 14623 USA. RP Steirer, KX (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci, 1617 Cole Blvd, Golden, CO 80401 USA. EM Kenneth.Steirer@NREL.gov RI Ndione, Paul/O-6152-2015; Li, Jian/B-1627-2016 OI Ndione, Paul/0000-0003-4444-2938; FU Laboratory Directed Research and Development (LDRD) Program at the National Renewable Energy Laboratory; U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergraduate Laboratory Internship (SULI) program; U.S. Department of Energy Office of Energy Efficiency and Renewable Energy [DE-AC36-08-GO28308] FX This work was supported by the Laboratory Directed Research and Development (LDRD) Program at the National Renewable Energy Laboratory. MJD was supported by the U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergraduate Laboratory Internship (SULI) program. NREL is a national laboratory of the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy (Contract No. DE-AC36-08-GO28308) operated by the Alliance for Sustainable Energy, LLC. NR 44 TC 4 Z9 4 U1 8 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 2015 VL 17 IS 23 BP 15355 EP 15364 DI 10.1039/c5cp01607j PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CJ6VK UT WOS:000355632900033 PM 26000570 ER PT J AU Dholabhai, PP Aguiar, JA Wu, LJ Holesinger, TG Aoki, T Castro, RHR Uberuaga, BP AF Dholabhai, Pratik P. Aguiar, Jeffery A. Wu, Longjia Holesinger, Terry G. Aoki, Toshihiro Castro, Ricardo H. R. Uberuaga, Blas P. TI Structure and segregation of dopant-defect complexes at grain boundaries in nanocrystalline doped ceria SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS; ELECTRICAL-CONDUCTIVITY; IONIC-CONDUCTIVITY; SPACE-CHARGE; OXIDE; OXYGEN; CERAMICS; CEO2; ACTIVATION; ELECTROLYTE AB Grain boundaries (GBs) dictate vital properties of nanocrystalline doped ceria. Thus, to understand and predict its properties, knowledge of the interaction between dopant-defect complexes and GBs is crucial. Here, we report atomistic simulations, corroborated with first principles calculations, elucidating the fundamental dopant-defect interactions at model GBs in gadolinium-doped and manganese-doped ceria. Gadolinium and manganese are aliovalent dopants, accommodated in ceria via a dopant-defect complex. While the behavior of isolated dopants and vacancies is expected to depend on the local atomic structure at GBs, the added structural complexity associated with dopant-defect complexes is found to have key implications on GB segregation. Compared to the grain interior, energies of different dopant-defect arrangements vary significantly at the GBs. As opposed to bulk, the stability of oxygen vacancy is found to be sensitive to the dopant arrangement at GBs. Manganese exhibits a stronger propensity for segregation to GBs than gadolinium, revealing that accommodation of dopant-defect clusters depends on the nature of dopants. Segregation strength is found to depend on the GB character, a result qualitatively supported by our experimental observations based on scanning transmission electron microscopy. The present results indicate that segregation energies, availability of favorable sites, and overall stronger binding of dopant-defect complexes would influence ionic conductivity across GBs in nanocrystalline doped ceria. Our comprehensive investigation emphasizes the critical role of dopant-defect interactions at GBs in governing functional properties in fluorite-structured ionic conductors. C1 [Dholabhai, Pratik P.; Uberuaga, Blas P.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Aguiar, Jeffery A.] Natl Renewable Energy Lab, Microscopy & Imaging Grp, Golden, CO 80401 USA. [Wu, Longjia; Castro, Ricardo H. R.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Holesinger, Terry G.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Aoki, Toshihiro] Arizona State Univ, LeRoy Eyring Ctr Solid State Sci, Tempe, AZ 85287 USA. RP Dholabhai, PP (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. EM pdholabhai@lanl.gov RI Aoki, Toshihiro/I-4852-2015; OI Aguiar, Jeffery/0000-0001-6101-4762 FU UC Lab Fees Research Program [12-LF-239032]; U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. DOE [DE-AC52-06NA25396]; U.S. DOE, Office of Science, Basic Energy Sciences, Early Career Program Award [ER46795] FX This work was supported by UC Lab Fees Research Program 12-LF-239032. BPU acknowledges support by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. DOE under contract DE-AC52-06NA25396. JAA acknowledges the use of facilities at LeRoy Center for Solid State Science, Arizona State University. RC acknowledges U.S. DOE, Office of Science, Basic Energy Sciences, Early Career Program Award ER46795. NR 68 TC 9 Z9 9 U1 4 U2 57 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2015 VL 17 IS 23 BP 15375 EP 15385 DI 10.1039/c5cp02200b PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CJ6VK UT WOS:000355632900035 PM 26000664 ER PT J AU Yue, YF Mayes, RT Gill, G Kuo, LJ Wood, J Binder, A Brown, S Dai, S AF Yue, Yanfeng Mayes, Richard T. Gill, Gary Kuo, Li-Jung Wood, Jordana Binder, Andrew Brown, Suree Dai, Sheng TI Macroporous monoliths for trace metal extraction from seawater SO RSC ADVANCES LA English DT Article ID TRANSFER RADICAL POLYMERIZATION; URANIUM EXTRACTION; SEA-WATER; FIBER ADSORBENTS; AMIDOXIME-FIBER; URANYL-ION; RECOVERY; ADSORPTION; SEPARATION; PEPTIDES AB The viability of seawater-based uranium recovery depends on the uranium adsorption rate and capacity, since the concentration of uranium in the oceans is relatively low (3.3 mu g L-1). An important consideration for a fast adsorption is to maximize the adsorption properties of adsorbents such as surface areas and pore structures, which can greatly improve the kinetics of uranium extraction and the adsorption capacity simultaneously. Following this consideration, macroporous monolith adsorbents were prepared from the copolymerization of acrylonitrile (AN) and N, N'-methylene-bis(acrylamide) (MBAAm) based on a cryogel method using both hydrophobic and hydrophilic monomers. The monolithic sorbents were tested with simulated seawater containing a high uranyl concentration (similar to 6 ppm) and the uranium adsorption results showed that the adsorption capacities are strongly influenced by the ratio of monomer to the crosslinker, i.e., the density of the amidoxime groups. The preliminary seawater testing indicates the high salinity content of seawater does not hinder the adsorption of uranium. C1 [Yue, Yanfeng; Mayes, Richard T.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Gill, Gary; Kuo, Li-Jung; Wood, Jordana] Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA. [Binder, Andrew; Brown, Suree; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Mayes, RT (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM mayesrt@ornl.gov RI Dai, Sheng/K-8411-2015; Mayes, Richard/G-1499-2016 OI Dai, Sheng/0000-0002-8046-3931; Mayes, Richard/0000-0002-7457-3261 FU U.S. DOE Office of Nuclear Energy [DEAC05-00OR22725, DE-AC05-76RL01830]; ORNL FX This research was conducted at Oak Ridge National Laboratory (ORNL) and supported by the U.S. DOE Office of Nuclear Energy, under Contract no. DEAC05-00OR22725 with ORNL, managed by UT Battelle LLC. Seawater screening was performed at the Marine Sciences Laboratory in Sequim, WA, a division of Pacific Northwest National Laboratory, supported by the U.S. DOE Office of Nuclear Energy, under Contract no. DE-AC05-76RL01830. NR 47 TC 12 Z9 12 U1 6 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2015 VL 5 IS 62 BP 50005 EP 50010 DI 10.1039/c5ra02131f PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA CK1SP UT WOS:000355987900025 ER PT S AU Tramm, JR Siegel, AR Forget, B Josey, C AF Tramm, John R. Siegel, Andrew R. Forget, Benoit Josey, Colin BE Markidis, S Laure, E TI Performance Analysis of a Reduced Data Movement Algorithm for Neutron Cross Section Data in Monte Carlo Simulations SO SOLVING SOFTWARE CHALLENGES FOR EXASCALE SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 2nd International Conference on Exascale Applications and Software (EASC) CY APR 02-03, 2014 CL Stockholm, SWEDEN SP Cray Inc, Mellanox Technologies DE Monte carlo; Multi-core; Neutron transport; Reactor simulation; Multipole; Cross section AB Current Monte Carlo neutron transport applications use continuous energy cross section data to provide the statistical foundation for particle trajectories. This "classical" algorithm requires storage and random access of very large data structures. Recently, Forget et al. [1] reported on a fundamentally new approach, based on multipole expansions, that distills cross section data down to a more abstract mathematical format. Their formulation greatly reduces memory storage and improves data locality at the cost of also increasing floating point computation. In the present study, we abstract the multipole representation into a "proxy application", which we then use to determine the hardware performance parameters of the algorithm relative to the classical continuous energy algorithm. This study is done to determine the viability of both algorithms on current and next-generation high performance computing platforms. C1 [Tramm, John R.; Siegel, Andrew R.] Argonne Natl Lab, Ctr Exascale Simulat Adv Reactors, Lemont, IL 60439 USA. [Forget, Benoit; Josey, Colin] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. RP Tramm, JR (reprint author), Argonne Natl Lab, Ctr Exascale Simulat Adv Reactors, Lemont, IL 60439 USA. EM jtramm@mcs.anl.gov NR 19 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-319-15975-1; 978-3-319-15976-8 J9 LECT NOTES COMPUT SC PY 2015 VL 8759 BP 39 EP 56 DI 10.1007/978-3-319-15976-8_3 PG 18 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BC8JT UT WOS:000355749700003 ER PT S AU Gong, J Markidis, S Schliephake, M Laure, E Henningson, D Schlatter, P Peplinski, A Hart, A Doleschal, J Henty, D Fischer, P AF Gong, Jing Markidis, Stefano Schliephake, Michael Laure, Erwin Henningson, Dan Schlatter, Philipp Peplinski, Adam Hart, Alistair Doleschal, Jens Henty, David Fischer, Paul BE Markidis, S Laure, E TI Nek5000 with OpenACC SO SOLVING SOFTWARE CHALLENGES FOR EXASCALE SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 2nd International Conference on Exascale Applications and Software (EASC) CY APR 02-03, 2014 CL Stockholm, SWEDEN SP Cray Inc, Mellanox Technologies DE Nek5000; OpenACC; GPU programming; Spectral element method AB Nek5000 is a computational fluid dynamics code based on the spectral element method used for the simulation of incompressible flows. We follow up on an earlier study which ported the simplified version of Nek5000 to a GPU-accelerated system by presenting the hybrid CPU/GPU implementation of the full Nek5000 code using OpenACC. The matrix-matrix multiplication, the Nek5000 gather-scatter operator and a preconditioned Conjugate Gradient solver have implemented using OpenACC for multi-GPU systems. We report an speed-up of 1.3 on single node of a Cray XK6 when using OpenACC directives in Nek5000. On 512 nodes of the Titan supercomputer, the speed-up can be approached to 1.4. A performance analysis of the Nek5000 code using Score-P and Vampir performance monitoring tools shows that overlapping of GPU kernels with host-accelerator memory transfers would considerably increase the performance of the OpenACC version of Nek5000 code. C1 [Gong, Jing; Markidis, Stefano; Schliephake, Michael; Laure, Erwin] KTH Royal Inst Technol, PDC Ctr High Performance Comp, Stockholm, Sweden. [Henningson, Dan; Schlatter, Philipp; Peplinski, Adam] KTH Royal Inst Technol, Dept Mech, Stockholm, Sweden. [Gong, Jing; Markidis, Stefano; Schliephake, Michael; Laure, Erwin; Henningson, Dan; Schlatter, Philipp; Peplinski, Adam] Swedish E Sci Ctr SeRC, S-10044 Stockholm, Sweden. [Doleschal, Jens] Tech Univ Dresden, ZIH, D-01062 Dresden, Germany. [Henty, David] Univ Edinburgh, Edinburgh Parallel Comp Ctr, Edinburgh, Midlothian, Scotland. [Fischer, Paul] Argonne Natl Lab, Lemont, IL USA. RP Gong, J (reprint author), KTH Royal Inst Technol, PDC Ctr High Performance Comp, Stockholm, Sweden. EM gongjing@pdc.kth.se; markidis@pdc.kth.se; michs@pdc.kth.se; erwinl@pdc.kth.se; henningson@mech.kth.se; pschlatt@mech.kth.se; adam@mech.kth.se NR 7 TC 1 Z9 1 U1 1 U2 4 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-319-15975-1; 978-3-319-15976-8 J9 LECT NOTES COMPUT SC PY 2015 VL 8759 BP 57 EP 68 DI 10.1007/978-3-319-15976-8_4 PG 12 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BC8JT UT WOS:000355749700004 ER PT S AU Hammouda, A Siegel, A Siegel, S AF Hammouda, Adam Siegel, Andrew Siegel, Stephen BE Markidis, S Laure, E TI Overcoming Asynchrony: An Analysis of the Effects of Asynchronous Noise on Nearest Neighbor Synchronizations SO SOLVING SOFTWARE CHALLENGES FOR EXASCALE SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 2nd International Conference on Exascale Applications and Software (EASC) CY APR 02-03, 2014 CL Stockholm, SWEDEN SP Cray Inc, Mellanox Technologies DE Performance analysis; Exascale; Noise; Stencil methods; Optimization; Fault tolerance; Resilience ID COLLECTIVES; IMPACT AB A simple model of noise with an adjustable level of asynchrony is presented. The model is used to generate synthetic noise traces in the presence of a representative bulk synchronous, nearest neighbor time stepping algorithm. The resulting performance of the algorithm is measured and compared to the performance of the algorithm in the presence of Gaussian distributed noise. The results empirically illustrate that asynchrony is a dominant mechanism by which many types of computational noise degrade the performance of bulk-synchronous algorithms, whether or not their macroscopic noise distributions are constant or random. C1 [Hammouda, Adam; Siegel, Andrew] Argonne Natl Lab, Div Math & Comp Sci, Lemont, IL 60439 USA. [Siegel, Stephen] Univ Delaware, Verified Software Lab, Newark, DE 19716 USA. RP Hammouda, A (reprint author), Argonne Natl Lab, Div Math & Comp Sci, Lemont, IL 60439 USA. EM ahammouda@cs.uchicago.edu; siegela@mcs.anl.gov; siegel@udel.edu NR 12 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-319-15975-1; 978-3-319-15976-8 J9 LECT NOTES COMPUT SC PY 2015 VL 8759 BP 100 EP 109 DI 10.1007/978-3-319-15976-8_7 PG 10 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BC8JT UT WOS:000355749700007 ER PT S AU Hilbrich, T Protze, J Wagner, M Muller, MS Schulz, M de Supinski, BR Nagel, WE AF Hilbrich, Tobias Protze, Joachim Wagner, Michael Mueller, Matthias S. Schulz, Martin de Supinski, Bronis R. Nagel, Wolfgang E. BE Markidis, S Laure, E TI Memory Usage Optimizations for Online Event Analysis SO SOLVING SOFTWARE CHALLENGES FOR EXASCALE SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 2nd International Conference on Exascale Applications and Software (EASC) CY APR 02-03, 2014 CL Stockholm, SWEDEN SP Cray Inc, Mellanox Technologies ID MPI AB Tools are essential for application developers and system support personnel during tasks such as performance optimization and debugging of massively parallel applications. An important class are event-based tools that analyze relevant events during the runtime of an application, e.g., function invocations or communication operations. We develop a parallel tools infrastructure that supports both the observation and analysis of application events at runtime. Some analysese. e.g., deadlock detection algorithms-require complex processing and apply to many types of frequently occurring events. For situations where the rate at which an application generates new events exceeds the processing rate of the analysis, we experience tool instability or even failures, e.g., memory exhaustion. Tool infrastructures must provide means to avoid or mitigate such situations. This paper explores two such techniques: first, a heuristic that selects events to receive and process next; second, a pause mechanism that temporarily suspends the execution of an application. An application study with applications from the SPEC MPI2007 benchmark suite and the NAS parallel benchmarks evaluates these techniques at up to 16,384 processes and illustrates how they avoid memory exhaustion problems that limited the applicability of a runtime correctness tool in the past. C1 [Hilbrich, Tobias; Wagner, Michael; Nagel, Wolfgang E.] Tech Univ Dresden, D-01062 Dresden, Germany. [Protze, Joachim; Mueller, Matthias S.] Rhein Westfal TH Aachen, D-52056 Aachen, Germany. [Protze, Joachim; Mueller, Matthias S.] JARA High Performance Comp, D-52062 Aachen, Germany. [Schulz, Martin; de Supinski, Bronis R.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Schulz, M (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM tobias.hilbrich@tu-dresden.de; protze@rz.rwth-aachen.de; michael.wagner2@tu-dresden.de; mueller@rz.rwth-aachen.de; schulzm@llnl.gov; bronis@llnl.gov; wolfgang.nagel@tu-dresden.de OI Wagner, Michael/0000-0002-5767-1716 NR 22 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 978-3-319-15975-1; 978-3-319-15976-8 J9 LECT NOTES COMPUT SC PY 2015 VL 8759 BP 110 EP 121 DI 10.1007/978-3-319-15976-8_8 PG 12 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BC8JT UT WOS:000355749700008 ER PT J AU Feng, C Sun, HH Li, SQ Camarillo, MK Stringfellow, WT Liang, YY AF Feng, Chao Sun, Henghu Li, Suqin Camarillo, Mary Kay Stringfellow, William T. Liang, Yangyang TI Treatment of oil-water emulsion from the machinery industry by Fenton's reagent SO WATER SCIENCE AND TECHNOLOGY LA English DT Article DE Fenton's reagent; H2O2 dosage; oil-water emulsion; orthogonal test ID WASTE-WATER; METALWORKING FLUIDS; HYDROGEN-PEROXIDE; NONIONIC SURFACTANTS; OPERATING-CONDITIONS; ORGANIC-COMPOUNDS; METAL-WORKING; OXIDATION; ELECTROFLOTATION; OPTIMIZATION AB An oil-water emulsion from the machinery industry was treated using Fenton's reagent. The objective was to reduce the high chemical oxygen demand (COD) of this waste stream so that it would meet the COD effluent limit of Chinese Standard JS-7740-95. The optimal [H2O2]/[Fe2+] ratio for COD removal was 3. An orthogonal experimental design was developed based on the optimal [H2O2]/[Fe2+] ratio to evaluate the significance of four parameters relevant to the treatment process, namely, H2O2 dosage, initial pH, oxidation time and coagulation pH. The influence of the four parameters on COD removal efficiency decreased as follows: H2O2 dosage > oxidation time > coagulation pH > initial pH. The COD removal efficiency was further investigated based on the most important single-factor parameter, which was H2O2 dosage, as discovered in the orthogonal test. A well-fitted empirical correlation was obtained from the single-factor analysis and up to 98% COD removal was attained using 50 mM H2O2. Using the doses and conditions identified in this study, the treated oil-water emulsion can be discharged according to Chinese Standard JS-7740-95. C1 [Feng, Chao; Sun, Henghu; Camarillo, Mary Kay; Stringfellow, William T.] Univ Pacific, Sch Engn & Comp Sci, Pacific Resources Res Ctr, Stockton, CA 95211 USA. [Sun, Henghu] Tsinghua Univ Co Ltd, Architectural Design & Res Inst, Green Construct Mat & Circulat Econ Ctr, Beijing 100084, Peoples R China. [Stringfellow, William T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Sun, HH (reprint author), Univ Pacific, Sch Engn & Comp Sci, Pacific Resources Res Ctr, 3601 Pacific Ave, Stockton, CA 95211 USA. EM hsun@pacific.edu RI Stringfellow, William/O-4389-2015 OI Stringfellow, William/0000-0003-3189-5604 FU School of Engineering and Computer Science (SOECS); Pacific Resources Research Center (PRRC) at the University of the Pacific FX The first author is grateful to the School of Engineering and Computer Science (SOECS) and Pacific Resources Research Center (PRRC) at the University of the Pacific for providing financial support. The authors gratefully acknowledge the University of Science and Technology Beijing for providing experimental facilities. NR 43 TC 1 Z9 1 U1 2 U2 13 PU IWA PUBLISHING PI LONDON PA ALLIANCE HOUSE, 12 CAXTON ST, LONDON SW1H0QS, ENGLAND SN 0273-1223 EI 1996-9732 J9 WATER SCI TECHNOL JI Water Sci. Technol. PY 2015 VL 71 IS 12 BP 1884 EP 1892 DI 10.2166/wst.2015.145 PG 9 WC Engineering, Environmental; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA CK5BP UT WOS:000356237400018 PM 26067510 ER PT J AU Lee, I Evans, BR Foston, M Ragauskas, AJ AF Lee, Ida Evans, Barbara R. Foston, Marcus Ragauskas, Arthur J. TI Silicon cantilever functionalization for cellulose-specific chemical force imaging of switchgrass SO ANALYTICAL METHODS LA English DT Article ID MICROSCOPY; FIBERS AB A method for direct functionalization of silicon and silicon nitride cantilevers with bifunctional silanes was tested with model surfaces to determine adhesive forces for different hydrogen-bonding chemistries. Application for biomass surface characterization was tested by mapping switchgrass and isolated switchgrass cellulose in topographic and force-volume mode using a cellulose-specific cantilever. C1 [Lee, Ida] Univ Tennessee, Dept Comp & Elect Engn, Knoxville, TN USA. [Evans, Barbara R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Foston, Marcus; Ragauskas, Arthur J.] Georgia Inst Technol, Inst Paper Sci & Technol, Atlanta, GA 30332 USA. RP Evans, BR (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM evansb@ornl.gov OI Ragauskas, Arthur/0000-0002-3536-554X FU U.S. Department of Energy [DE-AC05-00OR22725]; Genomic Science Program, Office of Biological and Environmental Research, U.S. Department of Energy, under SFA Biofuels [FWP ERKP752] FX This manuscript has been authored by UT-Battelle, LLC, under Contract no. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). This work was supported by the Genomic Science Program, Office of Biological and Environmental Research, U.S. Department of Energy, under SFA Biofuels FWP ERKP752 (P. I. Brian Davison). NR 14 TC 0 Z9 0 U1 1 U2 7 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1759-9660 EI 1759-9679 J9 ANAL METHODS-UK JI Anal. Methods PY 2015 VL 7 IS 11 BP 4541 EP 4545 DI 10.1039/c5ay00455a PG 5 WC Chemistry, Analytical; Food Science & Technology; Spectroscopy SC Chemistry; Food Science & Technology; Spectroscopy GA CJ5US UT WOS:000355557500016 ER PT J AU Lee, WL Gu, Y Liou, KN Leung, LR Hsu, HH AF Lee, W. -L. Gu, Y. Liou, K. N. Leung, L. R. Hsu, H. -H. TI A global model simulation for 3-D radiative transfer impact on surface hydrology over the Sierra Nevada and Rocky Mountains SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID WESTERN UNITED-STATES; REGIONAL CLIMATE SIMULATION; SOLAR-RADIATION; PARAMETERIZATION; HYDROCLIMATE; ENSO; WRF AB We investigate 3-D mountain effects on solar flux distributions and their impact on surface hydrology over the western United States, specifically the Rocky Mountains and the Sierra Nevada, using the global CCSM4 (Community Climate System Model version 4; Community Atmosphere Model/Community Land Model - CAM4/CLM4) with a 0.23 degrees x 0.31 degrees resolution for simulations over 6 years. In a 3-D radiative transfer parameterization, we have updated surface topography data from a resolution of 1 km to 90m to improve parameterization accuracy. In addition, we have also modified the upward-flux deviation (3-D-PP (plane-parallel)) adjustment to ensure that the energy balance at the surface is conserved in global climate simulations based on 3-D radiation parameterization. We show that deviations in the net surface fluxes are not only affected by 3-D mountains but also influenced by feedbacks of cloud and snow in association with the long-term simulations. Deviations in sensible heat and surface temperature generally follow the patterns of net surface solar flux. The monthly snow water equivalent (SWE) deviations show an increase in lower elevations due to reduced snowmelt, leading to a reduction in cumulative runoff. Over higher-elevation areas, negative SWE deviations are found because of increased solar radiation available at the surface. Simulated precipitation increases for lower elevations, while it decreases for higher elevations, with a minimum in April. Liquid runoff significantly decreases at higher elevations after April due to reduced SWE and precipitation. C1 [Lee, W. -L.; Hsu, H. -H.] Acad Sinica, Res Ctr Environm Changes, Taipei 115, Taiwan. [Gu, Y.; Liou, K. N.] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Joint Inst Reg Earth Syst Sci & Engn, Los Angeles, CA 90095 USA. [Leung, L. R.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Gu, Y (reprint author), Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Joint Inst Reg Earth Syst Sci & Engn, Los Angeles, CA 90095 USA. EM gu@atmos.ucla.edu FU Ministry of Science and Technology of Taiwan [NSC-100-2119-M-001-029-MY5, NSC-102-2111-M-001-009]; Office of Science of the US Department of Energy as part of the Earth System Modeling program through DOE [DESC0006742]; DOE by Battelle Memorial Institute [DE-AC05-76RLO1830] FX This research was supported by the Ministry of Science and Technology of Taiwan under contracts NSC-100-2119-M-001-029-MY5 and NSC-102-2111-M-001-009 and by the Office of Science of the US Department of Energy as part of the Earth System Modeling program through DOE Grant DESC0006742 to UCLA and separate funding to PNNL. PNNL is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RLO1830. NR 31 TC 2 Z9 2 U1 1 U2 7 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 10 BP 5405 EP 5413 DI 10.5194/acp-15-5405-2015 PG 9 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CJ2BM UT WOS:000355289200005 ER PT J AU Kumar, R Barth, MC Nair, VS Pfister, GG Babu, SS Satheesh, SK Moorthy, KK Carmichael, GR Lu, Z Streets, DG AF Kumar, R. Barth, M. C. Nair, V. S. Pfister, G. G. Babu, S. Suresh Satheesh, S. K. Moorthy, K. Krishna Carmichael, G. R. Lu, Z. Streets, D. G. TI Sources of black carbon aerosols in South Asia and surrounding regions during the Integrated Campaign for Aerosols, Gases and Radiation Budget (ICARB) SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID ATMOSPHERIC BROWN CLOUDS; PREMONSOON SEASON; FORECASTING-MODEL; TRANSPORT MODELS; WEATHER RESEARCH; NORTHERN INDIA; DUST AEROSOLS; ARABIAN SEA; CLIMATE; CHEMISTRY AB This study examines differences in the surface black carbon (BC) aerosol loading between the Bay of Bengal (BoB) and the Arabian Sea (AS) and identifies dominant sources of BC in South Asia and surrounding regions during March-May 2006 (Integrated Campaign for Aerosols, Gases and Radiation Budget, ICARB) period. A total of 13 BC tracers are introduced in the Weather Research and Forecasting Model coupled with Chemistry to address these objectives. The model reproduced the temporal and spatial variability of BC distribution observed over the AS and the BoB during the ICARB ship cruise and captured spatial variability at the inland sites. In general, the model underestimates the observed BC mass concentrations. However, the model-observation discrepancy in this study is smaller compared to previous studies. Model results show that ICARB measurements were fairly well representative of the AS and the BoB during the pre-monsoon season. Elevated BC mass concentrations in the BoB are due to 5 times stronger influence of anthropogenic emissions on the BoB compared to the AS. Biomass burning in Burma also affects the BoB much more strongly than the AS. Results show that anthropogenic and biomass burning emissions, respectively, accounted for 60 and 37% of the average +/- standard deviation (representing spatial and temporal variability) BC mass concentration (1341 +/- 2353 ng m(-3)) in South Asia. BC emissions from residential (61 %) and industrial (23 %) sectors are the major anthropogenic sources, except in the Himalayas where vehicular emissions dominate. We find that regional-scale transport of anthropogenic emissions contributes up to 25% of BC mass concentrations in western and eastern India, suggesting that surface BC mass concentrations cannot be linked directly to the local emissions in different regions of South Asia. C1 [Kumar, R.] Natl Ctr Atmospher Res, Adv Study Program, Boulder, CO 80307 USA. [Kumar, R.; Barth, M. C.; Pfister, G. G.] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. [Nair, V. S.; Babu, S. Suresh] Vikram Sarabhai Space Ctr, Space Phys Lab, Thiruvananthapuram, India. [Satheesh, S. K.] Indian Inst Sci, Ctr Atmospher & Ocean Sci, Bangalore 560012, Karnataka, India. [Moorthy, K. Krishna] Indian Space Res Org HQ, Bangalore, Karnataka, India. [Carmichael, G. R.] Univ Iowa, Ctr Global & Reg Environm Res, Iowa City, IA 52242 USA. [Lu, Z.; Streets, D. G.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Kumar, R (reprint author), Natl Ctr Atmospher Res, Adv Study Program, POB 3000, Boulder, CO 80307 USA. EM rkumar@ucar.edu OI Nair, Vijayakumar S/0000-0001-8236-3590 FU National Science Foundation FX We thank C. Knote for providing the basic WRF-Chem configuration used in this study. We thank F. Flocke, S. Madronich and C. Knote for their constructive comments on the manuscript. The data sets of initial and boundary conditions for meteorological fields are downloaded from http://rda.ucar.edu/datasets/ds083.2/. The data sets for initial and boundary conditions for chemical fields, biogenic emissions, biomass burning emissions and programs used to process these data sets are downloaded from the website http://www2.acd.ucar.edu/wrf-chem/. The National Center for Atmospheric Research is supported by the National Science Foundation. Authors acknowledge the ICARB project of ISRO Geosphere Biosphere Program for providing the data collected onboard Sagar Kanya. We acknowledge ECCAD science team for providing emissions data sets. Comments from two anonymous reviewers are greatly appreciated. NR 65 TC 10 Z9 10 U1 1 U2 15 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 10 BP 5415 EP 5428 DI 10.5194/acp-15-5415-2015 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CJ2BM UT WOS:000355289200006 ER PT J AU Shi, H Lercher, JA Yu, XY AF Shi, Hui Lercher, Johannes A. Yu, Xiao-Ying TI Sailing into uncharted waters: recent advances in the in situ monitoring of catalytic processes in aqueous environments SO CATALYSIS SCIENCE & TECHNOLOGY LA English DT Review ID ENHANCED RAMAN-SPECTROSCOPY; SUM-FREQUENCY GENERATION; RAY-ABSORPTION SPECTROSCOPY; SOLID-STATE NMR; TRANSMISSION ELECTRON-MICROSCOPY; PARTICLE FLUORESCENCE MICROSCOPY; SCANNING-TUNNELING-MICROSCOPY; ONLINE MASS-SPECTROMETRY; ATOMIC-FORCE MICROSCOPY; TRANSITION-METAL IONS AB Catalysis in aqueous environments attracts enormous interest. Many characterization methods are well established at gas-solid interfaces, yet the majority of surface science approaches are limited to model surfaces and vacuum conditions. However, practical scenarios with complex catalyst structures, elevated temperatures and pressures, as well as the presence of two or more condensed phases, can pose immense challenges to these techniques, particularly for catalysts at their dynamic working states. In such contexts, this review highlights the advancement over the past five years in the in situ and time-resolved detection of catalytic processes and related phenomena in aqueous media, ideally under realistic conditions. We highlight latest technical innovations and novel chemistries that are made possible by recently developed toolboxes. Future directions of in situ and time-resolved analytical approaches applicable to aqueous phase catalysis are also presented. C1 [Shi, Hui; Lercher, Johannes A.; Yu, Xiao-Ying] Pacific NW Natl Lab, Fundamental & Comp Sci Directorate, Richland, WA 99352 USA. [Lercher, Johannes A.] Tech Univ Munich, Dept Chem, D-85747 Garching, Germany. RP Shi, H (reprint author), Pacific NW Natl Lab, Fundamental & Comp Sci Directorate, Richland, WA 99352 USA. EM xiaoying.yu@pnnl.gov RI Shi, Hui/J-7083-2014 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; Pacific Northwest National Laboratory (PNNL) Materials Synthesis and Simulation Across Scales Initiative-Laboratory Directed Research and Development (MS3-LDRD) fund; Chemical Imaging LDRD; Battelle for the DOE [DE-AC05-76RL01830] FX H.S. and J.A.L were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Dr. Yu is grateful to the Pacific Northwest National Laboratory (PNNL) Materials Synthesis and Simulation Across Scales Initiative-Laboratory Directed Research and Development (MS3-LDRD) fund and the Chemical Imaging LDRD for support. PNNL is operated by Battelle for the DOE under Contract DE-AC05-76RL01830. NR 199 TC 7 Z9 7 U1 11 U2 78 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 2015 VL 5 IS 6 BP 3035 EP 3060 DI 10.1039/c4cy01720j PG 26 WC Chemistry, Physical SC Chemistry GA CJ4WG UT WOS:000355487900001 ER PT J AU Zhang, J Zhu, J Wang, L Zhao, Y AF Zhang, J. Zhu, J. Wang, L. Zhao, Y. TI A new lithium-rich anti-spinel in Li-O-Br system SO CHEMICAL COMMUNICATIONS LA English DT Article ID GAMMA-AL2O3; HALIDES AB In spinel-type materials currently known, the divalent anions are arranged in a closed-pack lattice and cations of various valences occupy some or all of the tetrahedral and octahedral sites. We report here the first discovery of an "electronically inverted'' anti-spinel. The new material, crystallized in a defect spinel structure, was obtained from the dehydration of Li5Br(OH)(4) under moderate pressure and temperature conditions. C1 [Zhang, J.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Zhu, J.; Wang, L.; Zhao, Y.] Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA. [Zhu, J.; Wang, L.; Zhao, Y.] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. RP Zhang, J (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM jzhang@lanl.gov; Yusheng.Zhao@unlv.edu OI Zhang, Jianzhong/0000-0001-5508-1782 FU Los Alamos National Laboratory; DOE [DE-AC52-06NA25396]; COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement [EAR 11-57758]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Cooperative Agreement [DE-NA0001982] FX This research is supported by the Los Alamos National Laboratory, which is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396, and COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement EAR 11-57758. 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. This research was also sponsored in part by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Cooperative Agreement #DE-NA0001982. NR 16 TC 1 Z9 1 U1 5 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 47 BP 9666 EP 9669 DI 10.1039/c5cc01109d PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CJ5VA UT WOS:000355558700017 PM 25977945 ER PT J AU Ding, JB Zhu, X Bu, LZ Yao, JL Guo, J Guo, SJ Huang, XQ AF Ding, Jiabao Zhu, Xing Bu, Lingzheng Yao, Jianlin Guo, Jun Guo, Shaojun Huang, Xiaoqing TI Highly open rhombic dodecahedral PtCu nanoframes SO CHEMICAL COMMUNICATIONS LA English DT Article ID OXYGEN REDUCTION REACTION; ELECTROCATALYTIC ACTIVITY; BIMETALLIC NANODENDRITES; NANOCRYSTALS; PD; ALLOY; NANOPARTICLES; CATALYSIS; NI; CONSTRUCTION AB Herein, we report a facile strategy that allows one-pot preparation of highly open rhombic dodecahedral PtCu alloy nanoframes. Due to the highly open structures, the PtCu nanoframes exhibit enhanced catalytic performance in methanol electrooxidation, showing a new strategy to create highly active catalysts. C1 [Ding, Jiabao; Bu, Lingzheng; Yao, Jianlin; Huang, Xiaoqing] Soochow Univ, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Jiangsu, Peoples R China. [Zhu, Xing; Guo, Jun] Soochow Univ, Testing & Anal Ctr, Suzhou 215123, Jiangsu, Peoples R China. [Guo, Shaojun] Los Alamos Natl Lab, Phys Chem & Appl Spect, Los Alamos, NM 87545 USA. RP Guo, SJ (reprint author), Los Alamos Natl Lab, Phys Chem & Appl Spect, POB 1663, Los Alamos, NM 87545 USA. EM sguo@lanl.gov; hxq006@suda.edu.cn RI Guo, Shaojun/A-8449-2011 OI Guo, Shaojun/0000-0002-5941-414X FU Soochow University, Young Thousand Talented Program; J. Robert Oppenheimer Distinguished Fellowship FX This work was financially supported by the start-up funding from Soochow University, Young Thousand Talented Program and J. Robert Oppenheimer Distinguished Fellowship. NR 40 TC 29 Z9 29 U1 22 U2 81 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 47 BP 9722 EP 9725 DI 10.1039/c5cc03190g PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CJ5VA UT WOS:000355558700031 PM 25980624 ER PT J AU Wan, S Jiang, XG Guo, BK Dai, S Goodenough, JB Sun, XG AF Wan, Shun Jiang, Xueguang Guo, Bingkun Dai, Sheng Goodenough, John B. Sun, Xiao-Guang TI A stable fluorinated and alkylated lithium malonatoborate salt for lithium ion battery application SO CHEMICAL COMMUNICATIONS LA English DT Article ID BRANCHED POLYEPOXIDE ETHERS; CARBONATE-BASED SOLUTIONS; PROPYLENE CARBONATE; ELECTROLYTE INTERFACE; FILM FORMATION; GRAPHITE; CONDUCTORS; LIBOB; BIS(ALLYLMALONATO)BORATE; BIS(OXALATO)BORATE AB A new fluorinated and alkylated lithium malonatoborate salt, lithium bis(2-methyl-2-fluoromalonato)borate (LiBMFMB), has been synthesized for lithium ion battery application. A 0.8 M LiBMFMB solution is obtained in a mixture of ethylene carbonate (EC) and ethyl methyl carbonate (EMC) (1 : 2 by wt). The new LiBMFMB based electrolyte exhibits good cycling stability and rate capability in LiNi0.5Mn1.5O4 and graphite based half-cells. C1 [Wan, Shun; Dai, Sheng; Sun, Xiao-Guang] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Jiang, Xueguang; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Guo, Bingkun; Goodenough, John B.] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. RP Sun, XG (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM sunx@ornl.gov RI Guo, Bingkun/J-5774-2014; Dai, Sheng/K-8411-2015; Jiang, Xueguang/J-5784-2013 OI Dai, Sheng/0000-0002-8046-3931; Jiang, Xueguang/0000-0002-9937-6029 FU U.S. Department of Energy's Office of Science, Basic Energy Science, Materials Sciences and Engineering Division FX This research was supported by the U.S. Department of Energy's Office of Science, Basic Energy Science, Materials Sciences and Engineering Division. NR 30 TC 2 Z9 2 U1 4 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 48 BP 9817 EP 9820 DI 10.1039/c5cc01428j PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CJ6VA UT WOS:000355631700013 PM 25986467 ER PT J AU Martinez, AA Orlicz, GC Prestridge, KP AF Martinez, Adam A. Orlicz, Gregory C. Prestridge, Katherine P. TI A new experiment to measure shocked particle drag using multi-pulse particle image velocimetry and particle tracking SO EXPERIMENTS IN FLUIDS LA English DT Article ID NONSTATIONARY FLOW; UNSTEADY DRAG; SPHERE; TUBE; WAVE; ACCELEROMETRY; COEFFICIENT; TURBULENCE; MIXTURES; DYNAMICS AB We demonstrate the measurement capabilities for a new horizontal shock tube facility designed to measure the displacements, velocities and accelerations of shock-accelerated particles just after shock passage. Eight-frame particle image accelerometry and particle tracking velocimetry accelerometry diagnostics are implemented, along with a shadowgraphy system for measuring the shock location during experiments. We demonstrate the driving conditions of the facility using a unique membraneless pneumatic driver and particle seeding system that can accommodate both solid and liquid particles in the carrier phase. Measurements of two types of solid particles show unsteady drag forces higher than those for steady drag. C1 [Martinez, Adam A.; Orlicz, Gregory C.; Prestridge, Katherine P.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Martinez, AA (reprint author), Los Alamos Natl Lab, Div Phys, MS H803, Los Alamos, NM 87545 USA. EM adamamtz@lanl.gov; kpp@lanl.gov RI Prestridge, Kathy/C-1137-2012 OI Prestridge, Kathy/0000-0003-2425-5086 NR 29 TC 4 Z9 4 U1 4 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0723-4864 EI 1432-1114 J9 EXP FLUIDS JI Exp. Fluids PD JAN PY 2015 VL 56 IS 1 AR 1854 DI 10.1007/s00348-014-1854-x PG 12 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA CJ7JT UT WOS:000355671900002 ER PT J AU Chervin, CN Ko, JS Miller, BW Dudek, L Mansour, AN Donakowski, MD Brintlinger, T Gogotsi, P Chattopadhyay, S Shibata, T Parker, JF Hahn, BP Rolison, DR Long, JW AF Chervin, Christopher N. Ko, Jesse S. Miller, Bryan W. Dudek, Lisa Mansour, Azzam N. Donakowski, Martin D. Brintlinger, Todd Gogotsi, Pavel Chattopadhyay, Soma Shibata, Tomohiro Parker, Joseph F. Hahn, Benjamin P. Rolison, Debra R. Long, Jeffrey W. TI Defective by design: vanadium-substituted iron oxide nanoarchitectures as cation-insertion hosts for electrochemical charge storage SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID LITHIUM-ION BATTERIES; K-EDGE; AEROGELS; V2O5; NANOPARTICLES; GAMMA-FE2O3; MONOLITHS; EPOXIDES; IFEFFIT; CATHODE AB Vanadium-substituted iron oxide aerogels (2 : 1 Fe : V ratio; VFe2Ox) are synthesized using an epoxide-initiated sol-gel method to form high surface-area, mesoporous materials in which the degree of crystallinity and concentration of defects are tuned via thermal treatments under controlled atmospheres. Thermal processing of the X-ray amorphous, as-synthesized VFe2Ox aerogels at 300 degrees C under O-2-rich conditions removes residual organic byproducts while maintaining a highly defective gamma-Fe2O3-like local structure with minimal long-range order and vanadium in the +5 state. When as-synthesized VFe2Ox aerogels are heated under low partial pressure of O-2 (e.g., flowing argon), a fraction of vanadium sites are reduced to the +4 state, driving crystallization to a Fe3O4-like cubic phase. Subsequent thermal oxidation of this nanocrystalline VFe2Ox aerogel re-oxidizes vanadium +4 to +5, creating additional cation vacancies and re-introducing disordered oxide domains. We correlate the electrochemical charge-storage properties of this series of VFe2Ox aerogels with their degree of order and chemical state, as verified by X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy. We find that the disordered O-2-heated VFe2Ox aerogel yields the highest Li+- and Na+-insertion capacities among this series, approaching 130 mA h g(-1) and 70 mA h g(-1), respectively. Direct heat-treatment of the VFe2Ox aerogel in flowing argon to yield the partially reduced, nanocrystalline form results in significantly lower Li+-insertion capacity (77 mA h g(-1)), which improves to 105 mA h g(-1) by thermal oxidation to create additional vacancies and structural disorder. C1 [Chervin, Christopher N.; Miller, Bryan W.; Donakowski, Martin D.; Gogotsi, Pavel; Parker, Joseph F.; Hahn, Benjamin P.; Rolison, Debra R.; Long, Jeffrey W.] US Naval Res Lab, Surface Chem Branch, Washington, DC 20375 USA. [Ko, Jesse S.] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. [Dudek, Lisa] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Mansour, Azzam N.] Naval Surface Warfare Ctr, Carderock Div, Mat & Power Syst Branch, West Bethesda, MD 20817 USA. [Brintlinger, Todd] US Naval Res Lab, Mat & Sensors Branch, Washington, DC 20375 USA. [Chattopadhyay, Soma] Elgin Community Coll, Dept Phys Sci, Elgin, IL 60123 USA. [Chattopadhyay, Soma; Shibata, Tomohiro] IIT, CSRRI, Adv Photon Source, Argonne, IL 60439 USA. RP Chervin, CN (reprint author), US Naval Res Lab, Surface Chem Branch, Code 6170, Washington, DC 20375 USA. EM christopher.chervin@nrl.navy.mil; jeffrey.long@nrl.navy.mil RI ID, MRCAT/G-7586-2011 FU U.S. Office of Naval Research; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the U.S. Office of Naval Research. 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. M.D.D. and B.P.H. were NRC-NRL post-doctoral associates. NR 47 TC 3 Z9 3 U1 9 U2 52 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 2015 VL 3 IS 22 BP 12059 EP 12068 DI 10.1039/c5ta01507c PG 10 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CJ5UK UT WOS:000355556300049 ER PT J AU Devaux, D Harry, KJ Parkinson, DY Yuan, R Hallinan, DT MacDowell, AA Balsara, NP AF Devaux, Didier Harry, Katherine J. Parkinson, Dilworth Y. Yuan, Rodger Hallinan, Daniel T. MacDowell, Alastair A. Balsara, Nitash P. TI Failure Mode of Lithium Metal Batteries with a Block Copolymer Electrolyte Analyzed by X-Ray Microtomography SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID SOLID POLYMER ELECTROLYTES; TRIBLOCK COPOLYMERS; MOLECULAR-WEIGHT; MICROPHASE SEPARATION; POLY(ETHYLENE OXIDE); IONIC-CONDUCTIVITY; DENDRITE FORMATION; LITHIUM/POLYMER CELLS; EQUILIBRIUM BEHAVIOR; HIGH-PERFORMANCE AB Solid block polymer electrolytes are promising candidates for the development of high energy density rechargeable lithium metal based batteries. All solid-state batteries comprising lithium metal negative electrode and lithium iron phosphate (LiFePO4) composite positive electrode were assembled. A polystyrene-b-poly(ethylene oxide) (SEO) copolymer doped with a lithium salt was used as the electrolyte. After cycling the batteries, the reason for capacity fade and failure was determined by imaging the batteries using synchrotron hard X-ray microtomography. These experiments revealed partial delamination of the lithium foil and the block copolymer electrolyte layer. The void volume between the foil and electrolyte layer obtained after 40 to 90 cycles is comparable to volume change in the battery during one cycle. A simple model to account for the effect of delamination on current density in the battery is presented. Capacity fade and battery failures observed in our experiments are consistent with this model. No evidence of lithium dendrite formation was found. In contrast, cycled lithium-lithium symmetric cells with the same polymer electrolyte at the same current density failed due to dendrite formation. No evidence of delamination was found in these cells. (C) The Author(s) 2015. Published by ECS. All rights reserved. C1 [Devaux, Didier; Yuan, Rodger; Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Harry, Katherine J.; Yuan, Rodger; Balsara, Nitash P.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Harry, Katherine J.; Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Parkinson, Dilworth Y.; MacDowell, Alastair A.] Lawrence Berkeley Natl Lab, Adv Light Source Div, Berkeley, CA 94720 USA. [Hallinan, Daniel T.] Florida State Univ, Florida A&M Univ, Coll Engn, Dept Chem & Biomed Engn, Tallahassee, FL 32310 USA. [Balsara, Nitash P.] Lawrence Berkeley Natl Lab, JCESR, Berkeley, CA 94720 USA. RP Devaux, D (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu FU Joint Center for Energy Storage Research, an Energy Innovation Hub - U. S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES); Office of Science, Office of Basic Energy Sciences of the U. S. Department of Energy [DE-AC02-05CH11231] FX This work was primarily supported by the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the U. S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES). The microtomography work was carried out at the Advanced Light Source at Lawrence Berkeley National Laboratory, which 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 78 TC 6 Z9 6 U1 9 U2 55 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2015 VL 162 IS 7 BP A1301 EP A1309 DI 10.1149/2.0721507jes PG 9 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA CJ6ZM UT WOS:000355643700024 ER PT J AU Gowda, SR Dees, DW Jansen, AN Gallagher, KG AF Gowda, Sanketh R. Dees, Dennis W. Jansen, Andrew N. Gallagher, Kevin G. TI Examining the Electrochemical Impedance at Low States of Charge in Lithium- and Manganese-Rich Layered Transition-Metal Oxide Electrodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID ION POSITIVE ELECTRODES; HIGH-ENERGY-DENSITY; CATHODE MATERIALS; VOLTAGE-FADE; IRREVERSIBLE CAPACITY; CO ELECTRODES; BATTERIES; LI; MN; NI AB Lithium- and manganese-rich layered transition-metal oxide (LMR-NMC) intercalation electrodes are projected to enable batteries with high energy density and low costs for energy. However, implementation Of LMR-NMC materials are challenged by life limiting mechanisms as well as less than desired rate performance. Here-in, we use electrochemical characterization of LMR-NMC electrodes to examine the large magnitude of impedance and the asymmetric polarization between charge and discharge at low states of charge (SOC). The area-specific impedance (ASI) of LMR-NMC displays a similar dependency as standard layered lithium metal oxides when compared as a function of voltage rather than SOC. Numerical physics-based modeling is used to analyze and simulate the potential response. The increasing and asymmetric behavior of the ASI in LMR-NMC at low SOC is suggested to be the result of the differing lithium diffusivities in the heterogeneous, nano-composite metal oxide material. Transport of lithium within LMR-NMC is governed by the relatively facile nickel- and cobalt-rich domains. Conversely, the mass transport within the lithium- and manganese-rich domains are characterized as comparatively sluggish. Lowering the stoichiometry of the lithium and manganese to achieve an optimal energy density at relevant discharge rates is suggested as a potentially viable path forward. (C) 2015 The Electrochemical Society. All rights reserved. C1 [Gowda, Sanketh R.; Dees, Dennis W.; Jansen, Andrew N.; Gallagher, Kevin G.] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Theme, Argonne, IL 60439 USA. RP Gowda, SR (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Theme, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kevin.gallagher@anl.gov RI Jansen, Andrew/Q-5912-2016 OI Jansen, Andrew/0000-0003-3244-7790 FU Vehicle Technologies Program, Hybrid and Electric Systems; DOE-EERE FX Support from the Vehicle Technologies Program, Hybrid and Electric Systems, David Howell (Team Lead) and Peter Faguy, at the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, (DOE-EERE) is gratefully acknowledged. Steven Trask and Bryant Polzin of the DOE-EERE funded Cell Analysis, Modeling, and Prototyping (CAMP) Facility at Argonne National Laboratory constructed the electrode laminates. NR 37 TC 3 Z9 3 U1 4 U2 38 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2015 VL 162 IS 7 BP A1374 EP A1381 DI 10.1149/2.0931507jes PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA CJ6ZM UT WOS:000355643700033 ER PT J AU Wu, QL Maroni, VA Gosztola, DJ Miller, DJ Dees, DW Lu, WQ AF Wu, Qingliu Maroni, Victor A. Gosztola, David J. Miller, Dean J. Dees, Dennis W. Lu, Wenquan TI A Raman-Based Investigation of the Fate of Li2MnO3 in Lithium- and Manganese-Rich Cathode Materials for Lithium Ion Batteries SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID IN-SITU; ELECTRODE MATERIALS; VOLTAGE FADE; EX-SITU; TOPOTAXY; MN AB The relationship between structure and electrochemical performance of lithium- and manganese-rich cathode materials with the general formula xLi(2)MnO(3)center dot(1-x)LiMO2 is under intensive study world-wide in the context of its importance to the development of high energy/high capacity lithium batteries. One of the issues raised in these studies is the fate of the Li2MnO3 component as a function of voltage and repeated cycling. We have performed Raman spectroscopy based measurements that shed light on the transformations of the Li2MnO3 phase as a function of state-of-charge. We find that on charging the Li2MnO3 phase appears to de-lithiate at a rate at least equal to that of the LiMO2 phase, whereas, on discharge a Li2MnO3-like component reforms later in the discharge than does the LiMO2 phase. The absence of X-ray diffraction evidence for the presence of Li2MnO3 after the first charge/discharge cycle can be reconciled by the possibility that the C2/m structured Li2MnO3 exists in domains thick enough to diffract; but during subsequent discharging, a perturbed C2/m phase forms in conjunction with the re-lithiated LiMO2 phase in thin sheets (electrochemically induced topotaxy) that are not thick enough to diffract but form in sufficient volume to give Raman scattering similar to that of Li2MnO3. (C) The Author(s) 2015. Published by ECS. All rights reserved. C1 [Wu, Qingliu; Maroni, Victor A.; Dees, Dennis W.; Lu, Wenquan] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Gosztola, David J.; Miller, Dean J.] Argonne Natl Lab, Nanosci & Technol Div, Argonne, IL 60439 USA. RP Wu, QL (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. EM luw@anl.gov RI Gosztola, David/D-9320-2011 OI Gosztola, David/0000-0003-2674-1379 FU UChicago Argonne, LLC [DE-AC02-06CH11357]; USDOE [DE-AC02-06CH11357] FX The authors are indebted to Dr. Javier Bareno for beneficial discussions concerning the notions about phase evolution in LMR-NMC materials. Support from the Vehicle Technologies Program, Hybrid and Electric Systems; specifically David Howell (Team Lead) and Peter Faguy, at the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, is gratefully acknowledged. Use of Raman and X-ray diffraction instrumentation at Argonne's Center for Nanoscale Materials was supported by the USDOE, Office of Science, Office of Basic Energy Sciences. The work was performed at Argonne National Laboratory under contract DE-AC02-06CH11357 between UChicago Argonne, LLC and the USDOE. NR 23 TC 6 Z9 6 U1 3 U2 30 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2015 VL 162 IS 7 BP A1255 EP A1264 DI 10.1149/2.0631507jes PG 10 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA CJ6ZM UT WOS:000355643700017 ER PT S AU Boutchko, R Mitra, D Pan, H Jagust, W Gullberg, GT AF Boutchko, Rostyslav Mitra, Debasis Pan, Hui Jagust, William Gullberg, Grant T. BE Gimi, B Molthen, RC TI Improved Factor Analysis of Dynamic PET Images to Estimate Arterial Input Function and Tissue Curves SO MEDICAL IMAGING 2015: BIOMEDICAL APPLICATIONS IN MOLECULAR, STRUCTURAL, AND FUNCTIONAL IMAGING SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Biomedical Applications in Molecular, Structural, and Functional Imaging CY FEB 24-26, 2015 CL Orlando, FL SP SPIE, ALIO Ind, Alpin Med Syst, Modus Med Devices Inc, Bruker DE Dynamic image analysis; Factor analysis in dynamic structures; Image derived arterial input function; PET brain imaging; Alzheimer's studies AB Factor analysis of dynamic structures (FADS) is a methodology of extracting time-activity curves (TACs) for corresponding different tissue types from noisy dynamic images. The challenges of FADS include long computation time and sensitivity to the initial guess, resulting in convergence to local minima far from the true solution. We propose a method of accelerating and stabilizing FADS application to sequences of dynamic PET images by adding preliminary cluster analysis of the time activity curves for individual voxels. We treat the temporal variation of individual voxel concentrations as a set of time-series and use a partial clustering analysis to identify the types of voxel TACs that are most functionally distinct from each other. These TACs provide a good initial guess for the temporal factors for subsequent FADS processing. Applying this approach to a set of single slices of dynamic C-11-PIB images of the brain allows identification of the arterial input function and two different tissue TACs that are likely to correspond to the specific and non-specific tracer binding-tissue types. These results enable us to perform direct classification of tissues based on their pharmacokinetic properties in dynamic PET without relying on a compartment-based kinetic model, without identification of the reference region, or without using any external methods of estimating the arterial input function, as needed in some techniques. C1 [Boutchko, Rostyslav; Jagust, William; Gullberg, Grant T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Mitra, Debasis; Pan, Hui] Florida Inst Technol, Dept Comp Sci, Melbourne, FL 32901 USA. RP Boutchko, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Dr,Mail Stop 55, Berkeley, CA 94720 USA. NR 10 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-507-0 J9 PROC SPIE PY 2015 VL 9417 AR 94170X DI 10.1117/12.2081461 PG 6 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BC8GL UT WOS:000355665600029 ER PT S AU Huang, LJ Shin, J Chen, T Lin, YZ Intrator, M Hanson, K Epstein, K Sandoval, D Williamson, M AF Huang, Lianjie Shin, Junseob Chen, Ting Lin, Youzuo Intrator, Miranda Hanson, Kenneth Epstein, Katherine Sandoval, Daniel Williamson, Michael BE Bosch, JG Duric, N TI Breast ultrasound tomography with two parallel transducer arrays: Preliminary clinical results SO MEDICAL IMAGING 2015: ULTRASONIC IMAGING AND TOMOGRAPHY SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Ultrasonic Imaging and Tomography CY FEB 22-23, 2015 CL Orlando, FL SP Alpin Med Syst, Modus Med Devices Inc, Bruker, ALIO Ind, American Assoc Physicists Med, American Physiolog Soc, Comp Assisted Radiol & Surg, Med Image Percept Soc, Radiolog Soc North America, Soc Imaging Informat Med, World Mol Imaging Soc, DICOM Stand Comm, SPIE DE Breast cancer; synthetic-aperture ultrasound; ultrasound imaging; ultrasound tomography ID DATA-ACQUISITION; APERTURE; TRANSMISSION; DIFFRACTION; SYSTEM AB Ultrasound tomography has great potential to provide quantitative estimations of physical properties of breast tumors for accurate characterization of breast cancer. We design and manufacture a new synthetic-aperture breast ultrasound tomography system with two parallel transducer arrays. The distance of these two transducer arrays is adjustable for scanning breasts with different sizes. The ultrasound transducer arrays are translated vertically to scan the entire breast slice by slice and acquires ultrasound transmission and reflection data for whole-breast ultrasound imaging and tomographic reconstructions. We use the system to acquire patient data at the University of New Mexico Hospital for clinical studies. We present some preliminary imaging results of in vivo patient ultrasound data. Our preliminary clinical imaging results show promising of our breast ultrasound tomography system with two parallel transducer arrays for breast cancer imaging and characterization. C1 [Huang, Lianjie; Shin, Junseob; Chen, Ting; Lin, Youzuo; Intrator, Miranda; Hanson, Kenneth] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Epstein, Katherine; Sandoval, Daniel; Williamson, Michael] Univ New Mexico, Dept Radiol, Albuquerque, NM 87131 USA. RP Huang, LJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ljh@lanl.gov OI Chen, Ting/0000-0002-9599-871X NR 55 TC 2 Z9 2 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-509-4 J9 PROC SPIE PY 2015 VL 9419 AR 941916 DI 10.1117/12.2082404 PG 10 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BC8EU UT WOS:000355579600033 ER PT S AU Intrator, M Lin, YZ Chen, T Shin, J Huang, LJ AF Intrator, Miranda Lin, Youzuo Chen, Ting Shin, Junseob Huang, Lianjie BE Bosch, JG Duric, N TI Ultrasound bent-ray tomography with a modified total-variation regularization scheme SO MEDICAL IMAGING 2015: ULTRASONIC IMAGING AND TOMOGRAPHY SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Ultrasonic Imaging and Tomography CY FEB 22-23, 2015 CL Orlando, FL SP Alpin Med Syst, Modus Med Devices Inc, Bruker, ALIO Ind, American Assoc Physicists Med, American Physiolog Soc, Comp Assisted Radiol & Surg, Med Image Percept Soc, Radiolog Soc North America, Soc Imaging Informat Med, World Mol Imaging Soc, DICOM Stand Comm, SPIE DE Breast cancer; cancer detection; bent ray; modified total-variation regularization; sound speed; transmission; ultrasound tomography AB The sound-speed distribution of the breast can be used for characterizing breast tumors, because they typically have a higher sound speed than normal breast tissue. This is understood to be the result of remodeling of the extracellular matrix surrounding tumors. Breast sound-speed distribution can be reconstructed using ultrasound bent-ray tomography (USRT). We have recently demonstrated that USRT, using arrival times of both transmission and reflection data, significantly improves image quality. To further improve the robustness of tomographic reconstructions, we develop a USRT method using a modified total-variation (MTV) regularization scheme. Regularization is often used in solving inverse problems by introducing restrictions such as for smoothness. Tikhonov regularization is a widely used regularization scheme that tends to smooth tomographic images, but oversmoothing can obscure critical diagnostic detail such as tumor margins. Total-variation (TV) regularization is another common regularization scheme that preserves tumor margins, but at the cost of increased image noise. Our new USRT with MTV regularization is a Tikhonov-TV hybrid, reducing image noise while preserving margins. We apply our new method to ultrasound transmission data from numerical phantoms, and compare the results with those obtained using Tikhonov regularization. C1 [Intrator, Miranda; Lin, Youzuo; Chen, Ting; Shin, Junseob; Huang, Lianjie] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Huang, LJ (reprint author), Los Alamos Natl Lab, MS D452, Los Alamos, NM 87545 USA. EM ljh@lanl.gov OI Chen, Ting/0000-0002-9599-871X NR 16 TC 0 Z9 0 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-509-4 J9 PROC SPIE PY 2015 VL 9419 AR 941917 DI 10.1117/12.2082192 PG 10 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BC8EU UT WOS:000355579600034 ER PT J AU Prasai, B Ren, Y Shan, SY Zhao, YG Cronk, H Luo, J Zhong, CJ Petkov, V AF Prasai, Binay Ren, Yang Shan, Shiyao Zhao, Yinguang Cronk, Hannah Luo, Jin Zhong, Chuan-Jian Petkov, Valeri TI Synthesis-atomic structure-properties relationships in metallic nanoparticles by total scattering experiments and 3D computer simulations: case of Pt-Ru nanoalloy catalysts (vol 7, pg 8122, 2015) SO NANOSCALE LA English DT Correction C1 [Prasai, Binay; Petkov, Valeri] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48858 USA. [Ren, Yang] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Shan, Shiyao; Zhao, Yinguang; Cronk, Hannah; Luo, Jin; Zhong, Chuan-Jian] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA. RP Petkov, V (reprint author), Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48858 USA. EM petko1vg@cmich.edu RI Zhong, Chuan-Jian/D-3394-2013 NR 1 TC 0 Z9 0 U1 5 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 22 BP 10279 EP 10279 DI 10.1039/c5nr90098k PG 1 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CJ5VL UT WOS:000355560200041 PM 25982103 ER PT J AU Alexandrov, V Rosso, KM AF Alexandrov, Vitaly Rosso, Kevin M. TI Ab initio modeling of Fe(II) adsorption and interfacial electron transfer at goethite (alpha-FeOOH) surfaces SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; MOLECULAR-DYNAMICS; HEMATITE ALPHA-FE2O3; IRON-OXIDES; WATER; SIMULATION; REACTIVITY; MINERALS; EXCHANGE; TRANSFORMATION AB Goethite (alpha-FeOOH) surfaces represent one of the most ubiquitous redox-active interfaces in the environment, playing an important role in biogeochemical metal cycling and contaminant residence in the subsurface. Fe(II)-catalyzed recrystallization of goethite is a fundamental process in this context, but the proposed Fe(II)(aq)-Fe(III)(goethite) electron and iron atom exchange mechanism of recrystallization remains poorly understood at the atomic level. We examine the adsorption of aqueous Fe(II) and subsequent interfacial electron transfer (ET) between adsorbed Fe(II) and structural Fe(III) at the (110) and (021) goethite surfaces using density functional theory calculations including Hubbard U corrections (DFT + U) aided by ab initio molecular dynamics simulations. We investigate various surface sites for the adsorption of Fe2+(H2O)(6) in different coordination environments. Calculated energies for adsorbed complexes at both surfaces favor monodentate complexes with reduced 4- and 5-fold coordination over higher-dentate structures and 6-fold coordination. The hydrolysis of H2O ligands is observed for some pre-ET adsorbed Fe(II) configurations. ET from the adsorbed Fe(II) into the goethite lattice is calculated to be energetically uphill always, but simultaneous proton transfer from H2O ligands of the adsorbed complexes to the surface oxygen species stabilizes post-ET states. We find that surface defects such as oxygen vacancies near the adsorption site also can stabilize post-ET states, enabling the Fe(II)(aq)-Fe(III)(goethite) interfacial electron transfer reaction implied from experiments to proceed. C1 [Alexandrov, Vitaly; Rosso, Kevin M.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Alexandrov, V (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. EM vitali.alexandrov@pnnl.gov FU U.S. Department of Energy Office of Science, Office of Basic Energy Sciences from the Chemical Sciences, Geosciences and Biosciences Division through the Geosciences Program at PNNL FX This research was supported by the U.S. Department of Energy Office of Science, Office of Basic Energy Sciences from the Chemical Sciences, Geosciences and Biosciences Division through the Geosciences Program at PNNL. The computations were performed using Institutional Computing at Pacific Northwest National Laboratory. The authors gratefully acknowledge Eugene Ilton for fruitful discussions. NR 56 TC 3 Z9 4 U1 21 U2 84 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 2015 VL 17 IS 22 BP 14518 EP 14531 DI 10.1039/c5cp00921a PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CJ6VN UT WOS:000355633400028 PM 25968615 ER PT J AU Liu, J Adamska, L Doorn, SK Tretiak, S AF Liu, Jin Adamska, Lyudmyla Doorn, Stephen K. Tretiak, Sergei TI Singlet and triplet excitons and charge polarons in cycloparaphenylenes: a density functional theory study SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID CARBON NANORINGS; HYBRID FUNCTIONALS; OPTOELECTRONIC PROPERTIES; RAMAN-SPECTROSCOPY; OPTICAL-PROPERTIES; SIZE DEPENDENCE; MOLECULES; NANOHOOPS; APPROXIMATION; FLUORESCENCE AB The conformational structure and the electronic properties of various electronic excitations in cycloparaphenylenes (CPPs) are calculated using hybrid density functional theory (DFT). The results demonstrate that wavefunctions of singlet and triplet excitons as well as the positive and negative polarons remain fully delocalized in CPPs. In contrast, these excitations in larger CPP molecules become localized on several phenyl rings, which are locally planarized, while the undeformed ground state geometry is preserved on the rest of the hoop. As evidenced by the measurements of bond-length alternation and dihedral angles, localized regions show stronger hybridization between neighboring bonds and thus enhanced electronic communication. This effect is even more significant in the smaller hoops, where phenyl rings have strong quinoid character in the ground state. Thus, upon excitation, electron-phonon coupling leads to the self-trapping of the electronic wavefunction and release of energy from fractions of an eV up to two eVs, depending on the type of excitation and the size of the hoop. The impact of such localization on electronic and optical properties of CPPs is systematically investigated and compared with the available experimental measurements. C1 [Liu, Jin] Univ Rochester, Dept Chem Engn, Rochester, NY 14627 USA. [Adamska, Lyudmyla; Tretiak, Sergei] Los Alamos Natl Lab, Theoret Div T 1, Los Alamos, NM 87545 USA. [Adamska, Lyudmyla; Tretiak, Sergei] Los Alamos Natl Lab, CNLS, Los Alamos, NM 87545 USA. [Doorn, Stephen K.; Tretiak, Sergei] Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. RP Adamska, L (reprint author), Los Alamos Natl Lab, Theoret Div T 1, Los Alamos, NM 87545 USA. EM mila@lanl.gov RI Tretiak, Sergei/B-5556-2009 OI Tretiak, Sergei/0000-0001-5547-3647 FU U.S. Department of Energy; Los Alamos LDRD funds; U.S. Department of Energy [DE-AC5206NA25396]; Center for Integrated Nanotechnologies (CINT); Center for Nonlinear Studies (CNLS) at LANL FX This work was supported by the U.S. Department of Energy and Los Alamos LDRD funds. Los Alamos National Laboratory is operated by the Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC5206NA25396. We acknowledge support from the Center for Integrated Nanotechnologies (CINT) and the Center for Nonlinear Studies (CNLS) at LANL. NR 56 TC 6 Z9 6 U1 1 U2 9 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 2015 VL 17 IS 22 BP 14613 EP 14622 DI 10.1039/c5cp01782c PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CJ6VN UT WOS:000355633400038 PM 25971627 ER PT J AU Johnson, GE Olivares, A Hill, D Laskin, J AF Johnson, Grant E. Olivares, Astrid Hill, David Laskin, Julia TI Cationic gold clusters ligated with differently substituted phosphines: effect of substitution on ligand reactivity and binding SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID RAY-STRUCTURE DETERMINATION; STRUCTURAL-CHARACTERIZATION; AU-13 CLUSTERS; SIZE; NANOPARTICLES; COMPLEXES; DISSOCIATION; NANOCLUSTERS; MONODISPERSE; PHOSPHORUS AB We present a systematic study of the effect of the number of methyl (Me) and cyclohexyl (Cy) functional groups in monodentate phosphine ligands on the solution-phase synthesis of ligated sub-nanometer gold clusters and their gas-phase fragmentation pathways. Small mixed ligand cationic gold clusters were synthesized using reactions between pre-formed triphenylphosphine ligated (PPh3) gold clusters and monodentate Me- and Cy-substituted phosphine ligands in solution and characterized using electrospray ionization mass spectrometry (ESI-MS) and collision-induced dissociation (CID) experiments. Under the same experimental conditions, larger gold-PPh3 clusters undergo efficient exchange of unsubstituted PPh3 ligands for singly Me- and Cy-substituted PPh2Me and PPh2Cy ligands. The efficiency of reaction decreases with an increasing number of Me or Cy groups in the substituted phosphine ligands. CID experiments performed for a series of mixed-ligand gold clusters indicate that loss of a neutral Me-substituted ligand is preferred over loss of a neutral PPh3 ligand while the opposite trend is observed for Cy-substituted ligands. The branching ratio of the competing ligand loss channels is strongly correlated with the electron donating ability of the phosphorous lone pair as determined by the relative proton affinity of the ligand. The results indicate that the relative ligand binding energies increase in the order PMe3 < PPhMe2 < PPh2Me < PPh3 < PPh2Cy < PPhCy2 < PCy3. Furthermore, the difference in relative ligand binding energies increases with the number of substituted PPh3-mMem or PPh3-mCym ligands (L) on each cluster. This study provides the first experimental determination of the relative binding energies of ligated gold clusters containing differently substituted monophosphine ligands, which are important to controlling their synthesis and reactivity in solution. The results also indicate that ligand substitution is an important parameter that must be considered in theoretical modeling of these complex systems. C1 [Johnson, Grant E.; Olivares, Astrid; Hill, David; Laskin, Julia] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Johnson, GE (reprint author), Pacific NW Natl Lab, Div Phys Sci, POB 999, Richland, WA 99352 USA. EM Grant.Johnson@pnnl.gov; Julia.Laskin@pnnl.gov RI Laskin, Julia/H-9974-2012; OI Laskin, Julia/0000-0002-4533-9644; Johnson, Grant/0000-0003-3352-4444 FU US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; DOE Science Undergraduate Laboratory Internship (SULI) program; DOE's Office of Biological and Environmental Research FX This work was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. AO and DH acknowledge support from the DOE Science Undergraduate Laboratory Internship (SULI) program. This work was performed using EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle. NR 49 TC 4 Z9 4 U1 4 U2 29 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 2015 VL 17 IS 22 BP 14636 EP 14646 DI 10.1039/c5cp01686j PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CJ6VN UT WOS:000355633400040 PM 25971528 ER PT S AU Gunzburger, M Jantsch, P Teckentrup, A Webster, C AF Gunzburger, Max Jantsch, Peter Teckentrup, Aretha Webster, Clayton BE Simos, TE Tsitouras, C TI A Multilevel Stochastic Collocation Method for SPDEs SO PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF NUMERICAL ANALYSIS AND APPLIED MATHEMATICS 2014 (ICNAAM-2014) SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Numerical Analysis and Applied Mathematics (ICNAAM) CY SEP 22-28, 2014 CL Rhodes, GREECE DE multilevel methods; stochastic collocation; SPDEs; uncertainty quantification; finite element methods ID PARTIAL-DIFFERENTIAL-EQUATIONS; RANDOM INPUT DATA; SIMULATION AB We present a multilevel stochastic collocation method that, as do multilevel Monte Carlo methods, uses a hierarchy of spatial approximations to reduce the overall computational complexity when solving partial differential equations with random inputs. For approximation in parameter space, a hierarchy of multi-dimensional interpolants of increasing fidelity are used. Rigorous convergence and computational cost estimates for the new multilevel stochastic collocation method are derived and used to demonstrate its advantages compared to standard single-level stochastic collocation approximations as well as multilevel Monte Carlo methods. C1 [Gunzburger, Max; Teckentrup, Aretha] Florida State Univ, Tallahassee, FL 32306 USA. [Jantsch, Peter] Univ Tennessee, Knoxville, TN 37996 USA. [Webster, Clayton] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Gunzburger, M (reprint author), Florida State Univ, Tallahassee, FL 32306 USA. NR 12 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1287-3 J9 AIP CONF PROC PY 2015 VL 1648 AR 020005 DI 10.1063/1.4912309 PG 3 WC Mathematics, Applied; Physics, Applied SC Mathematics; Physics GA BC7YA UT WOS:000355339700005 ER PT J AU Haveraaen, M Morris, K Rouson, D Radhakrishnan, H Carson, C AF Haveraaen, Magne Morris, Karla Rouson, Damian Radhakrishnan, Hari Carson, Clayton TI High-Performance Design Patterns for Modern Fortran SO SCIENTIFIC PROGRAMMING LA English DT Article AB This paper presents ideas for using coordinate-free numerics in modern Fortran to achieve code flexibility in the partial differential equation (PDE) domain. We also show how Fortran, over the last few decades, has changed to become a language well-suited for state-of-the-art software development. Fortran's new coarray distributed data structure, the language's class mechanism, and its side-effect-free, pure procedure capability provide the scaffolding on which we implement HPC software. These features empower compilers to organize parallel computations with efficient communication. We present some programming patterns that support asynchronous evaluation of expressions comprised of parallel operations on distributed data. We implemented these patterns using coarrays and the message passing interface (MPI). We compared the codes' complexity and performance. The MPI code is much more complex and depends on external libraries. The MPI code on Cray hardware using the Cray compiler is 1.5-2 times faster than the coarray code on the same hardware. The Intel compiler implements coarrays atop Intel's MPI library with the result apparently being 2-2.5 times slower than manually coded MPI despite exhibiting nearly linear scaling efficiency. As compilers mature and further improvements to coarrays comes in Fortran 2015, we expect this performance gap to narrow. C1 [Haveraaen, Magne] Univ Bergen, Dept Informat, N-5020 Bergen, Norway. [Morris, Karla] Sandia Natl Labs, Livermore, CA 94550 USA. [Rouson, Damian; Carson, Clayton] Stanford Univ, Stanford, CA 94305 USA. [Radhakrishnan, Hari] EXA High Performance Comp, CY-1087 Nicosia, Cyprus. RP Morris, K (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM knmorri@sandia.gov FU Research Council of Norway; Sandia National Laboratories; Office of Science of the US Department of Energy [DE-AC02-05CH11231]; National Science Foundation, Office of Cyber Infrastructure, "MRI-R2: Acquisition of an Applied Computational Instrument for Scientific Synthesis (ACISS)" [OCI-0960354]; National Nuclear Security Administration [DE-AC04-94-AL85000] FX Thanks are due to JimXia (IBM Canada Lab) for developing the Burgers 1D solver and Sameer Shende (University of Oregon) for help with TAU. This research is financed in part by the Research Council of Norway. This research was also supported by Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. This work used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract no. DE-AC02-05CH11231. This work also used resources from the ACISS cluster at the University of Oregon acquired by a Major Research Instrumentation grant from the National Science Foundation, Office of Cyber Infrastructure, "MRI-R2: Acquisition of an Applied Computational Instrument for Scientific Synthesis (ACISS)," Grant no. OCI-0960354. NR 21 TC 0 Z9 0 U1 3 U2 6 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1058-9244 EI 1875-919X J9 SCI PROGRAMMING-NETH JI Sci. Program. PY 2015 AR 942059 DI 10.1155/2015/942059 PG 14 WC Computer Science, Software Engineering SC Computer Science GA CJ9XC UT WOS:000355855600001 ER PT J AU Nanthaamornphong, A Carver, J Morris, K Filippone, S AF Nanthaamornphong, Aziz Carver, Jeffrey Morris, Karla Filippone, Salvatore TI Extracting UML Class Diagrams from Object-Oriented Fortran: ForUML SO SCIENTIFIC PROGRAMMING LA English DT Article ID PROGRAM COMPREHENSION; SOFTWARE; CODE AB Many scientists who implement computational science and engineering software have adopted the object-oriented (OO) Fortran paradigm. One of the challenges faced by OO Fortran developers is the inability to obtain high level software design descriptions of existing applications. Knowledge of the overall software design is not only valuable in the absence of documentation, it can also serve to assist developers with accomplishing different tasks during the software development process, especially maintenance and refactoring. The software engineering community commonly uses reverse engineering techniques to deal with this challenge. A number of reverse engineering-based tools have been proposed, but few of them can be applied to OO Fortran applications. In this paper, we propose a software tool to extract unified modeling language (UML) class diagrams from Fortran code. The UML class diagram facilitates the developers' ability to examine the entities and their relationships in the software system. The extracted diagrams enhance software maintenance and evolution. The experiments carried out to evaluate the proposed tool show its accuracy and a few of the limitations. C1 [Nanthaamornphong, Aziz] Prince Songkla Univ, Dept Informat & Commun Technol, Phuket 83120, Thailand. [Carver, Jeffrey] Univ Alabama, Dept Comp Sci, Tuscaloosa, AL 35487 USA. [Morris, Karla] Sandia Natl Labs, Livermore, CA 94550 USA. [Filippone, Salvatore] Univ Roma Tor Vergata, Dept Civil & Comp Engn, I-00173 Rome, Italy. RP Nanthaamornphong, A (reprint author), Prince Songkla Univ, Dept Informat & Commun Technol, Phuket Campus, Phuket 83120, Thailand. EM aziz.nantha@gmail.com OI Filippone, Salvatore/0000-0002-5859-7538 NR 51 TC 0 Z9 0 U1 1 U2 6 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 315 MADISON AVE 3RD FLR, STE 3070, NEW YORK, NY 10017 USA SN 1058-9244 EI 1875-919X J9 SCI PROGRAMMING-NETH JI Sci. Program. PY 2015 AR 421816 DI 10.1155/2015/421816 PG 15 WC Computer Science, Software Engineering SC Computer Science GA CJ9XE UT WOS:000355855800001 ER PT J AU Radhakrishnan, H Rouson, DWI Morris, K Shende, S Kassinos, SC AF Radhakrishnan, Hari Rouson, Damian W. I. Morris, Karla Shende, Sameer Kassinos, Stavros C. TI Using Coarrays to Parallelize Legacy Fortran Applications: Strategy and Case Study SO SCIENTIFIC PROGRAMMING LA English DT Article AB This paper summarizes a strategy for parallelizing a legacy Fortran 77 programusing the object-oriented (OO) and coarray features that entered Fortran in the 2003 and 2008 standards, respectively. OO programming (OOP) facilitates the construction of an extensible suite of model-verification and performance tests that drive the development. Coarray parallel programming facilitates a rapid evolution from a serial application to a parallel application capable of running on multicore processors and many-core accelerators in shared and distributed memory. We delineate 17 code modernization steps used to refactor and parallelize the program and study the resulting performance. Our initial studies were done using the Intel Fortran compiler on a 32-core shared memory server. Scaling behavior was very poor, and profile analysis using TAU showed that the bottleneck in the performance was due to our implementation of a collective, sequential summation procedure. We were able to improve the scalability and achieve nearly linear speedup by replacing the sequential summation with a parallel, binary tree algorithm. We also tested the Cray compiler, which provides its own collective summation procedure. Intel provides no collective reductions. With Cray, the program shows linear speedup even in distributed-memory execution. We anticipate similar results with other compilers once they support the new collective procedures proposed for Fortran 2015. C1 [Radhakrishnan, Hari] EXA High Performance Comp, CY-1087 Nicosia, Cyprus. [Rouson, Damian W. I.] Stanford Univ, Stanford, CA 94305 USA. [Morris, Karla] Sandia Natl Labs, Livermore, CA 94550 USA. [Shende, Sameer] Univ Oregon, Eugene, OR 97403 USA. [Kassinos, Stavros C.] Univ Cyprus, Computat Sci Lab UCY CompSci, CY-1678 Nicosia, Cyprus. RP Rouson, DWI (reprint author), Stanford Univ, Stanford, CA 94305 USA. EM damian@rouson.net RI Kassinos, Stavros/B-6404-2016 OI Kassinos, Stavros/0000-0002-3501-3851 FU European Commission Marie Curie ToK-DEV grant [MTKDCT-2004-014199]; Cyprus Research Promotion Foundation's Framework Programme for Research, Technological Development and Innovation [TPiE/PiLambdaHPO/0609(BE)/11]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation, Office of Cyber Infrastructure, "MRI-R2: Acquisition of an Applied Computational Instrument for Scientific Synthesis (ACISS)," [OCI-0960354]; Sandia National Laboratories a multiprogram laboratory; Lockheed Martin Company [DE-AC04-94-AL85000]; New Mexico Small Business Administration; Office of Naval Research FX The initial code refactoring was performed at the University of Cyprus with funding from the European Commission Marie Curie ToK-DEV grant (Contract MTKDCT-2004-014199). Part of this work was also supported by the Cyprus Research Promotion Foundation's Framework Programme for Research, Technological Development and Innovation 2009-2010 (Delta E Sigma MH 2009-2010) under Grant T Pi E/Pi Lambda HPO/0609(BE)/11. This work 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. This work also used hardware resources from the ACISS cluster at the University of Oregon acquired by a Major Research Instrumentation grant from the National Science Foundation, Office of Cyber Infrastructure, "MRI-R2: Acquisition of an Applied Computational Instrument for Scientific Synthesis (ACISS)," Grant no. OCI-0960354. This research was also supported by Sandia National Laboratories a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under Contract DE-AC04-94-AL85000. Portions of the Sandia contribution to this work were funded by the New Mexico Small Business Administration and the Office of Naval Research. NR 9 TC 0 Z9 0 U1 0 U2 2 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1058-9244 EI 1875-919X J9 SCI PROGRAMMING-NETH JI Sci. Program. PY 2015 AR 904983 DI 10.1155/2015/904983 PG 12 WC Computer Science, Software Engineering SC Computer Science GA CJ9XA UT WOS:000355855400001 ER PT S AU Cattaneo, A Bossert, JA Guzman, C Haaker, A Gupta, G Mohite, A Dumont, JH Purdy, GM Miller, KA Marchi, AN Farrar, CR Mascarenas, DDL AF Cattaneo, A. Bossert, Jason A. Guzman, Christian Haaker, Axel Gupta, Gautam Mohite, Aditya Dumont, Joseph H. Purdy, Geraldine M. Miller, Karen A. Marchi, Alexandria N. Farrar, Charles R. Mascarenas, David D. L. BE Lynch, JP Wang, KW Sohn, H TI A remote-readable graphite oxide (GO) based tamper-evident seal with self-reporting and self-authentication capabilities SO SENSORS AND SMART STRUCTURES TECHNOLOGIES FOR CIVIL, MECHANICAL, AND AEROSPACE SYSTEMS 2015 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Sensors and Smart Structures Technologies for Civil, Mechanical, and Aerospace Systems CY MAR 09-12, 2015 CL San Diego, CA SP SPIE, Amer Soc Mech Engineers DE tamper-evident seal; sensing skin; graphite oxide; compressed-sensing; crack detection and location; embedded-system; encryption/authentication low-power device ID GRAPHENE OXIDE; TRANSPARENT; FILMS AB The blossoming of sensing solutions based on the use of carbon materials and the pervasive exploration of compressed sensing (CS) for developing structural health monitoring applications suggest the possibility of combining these two research areas in a novel family of smart structures. Specifically, the authors propose an architecture for security-related applications that leverages the tunable electrical properties of a graphite oxide (GO) paper-based tamper-evident seal with a compressed-sensing (CS) encryption/authentication protocol. The electrical properties of GO are sensitive to the traditional methods that are commonly used to remove and replace paper-based tamper-evident seals (mechanical lifting, solvents, heat/cold temperature changes, steam). The sensitivity of the electro-chemical properties of GO to such malicious insults is exploited in this architecture. This is accomplished by using GO paper to physically realize the measurement matrix required to implement a compressive sampling procedure. The proposed architecture allows the seal to characterize its integrity, while simultaneously providing an encrypted/authentication feature making the seal difficult to counterfeit, spoof, or remove/replace. Traditional digital encryption/authentication techniques are often bit sensitive making them difficult to implement as part of a measurement process. CS is not bit sensitive and can tolerate deviation caused by noise and allows the seal to be robust with respect to environmental changes that can affect the electrical properties of the GO paper during normal operation. Further, the reduced amount of samples that need to be stored and transmitted makes the proposed solution highly attractive for power constrained applications where the seal is interrogated by a remote reader. C1 [Cattaneo, A.; Marchi, Alexandria N.; Farrar, Charles R.; Mascarenas, David D. L.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87544 USA. [Bossert, Jason A.; Gupta, Gautam; Mohite, Aditya; Dumont, Joseph H.; Purdy, Geraldine M.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Guzman, Christian] Prairie View A&M Univ, Thermal Sci Res Ctr, Prairie View, TX 77446 USA. [Haaker, Axel] Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. [Miller, Karen A.] Los Alamos Natl Lab, Safeguards Sci & Technol, Los Alamos, NM 87545 USA. RP Cattaneo, A (reprint author), Los Alamos Natl Lab, Engn Inst, MS T001,POB 1663, Los Alamos, NM 87544 USA. EM cattaneo@lanl.gov OI Farrar, Charles/0000-0001-6533-6996 NR 34 TC 0 Z9 0 U1 2 U2 9 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-538-4 J9 PROC SPIE PY 2015 VL 9435 AR 94351K DI 10.1117/12.2083030 PG 15 WC Engineering, Aerospace; Engineering, Civil; Engineering, Mechanical; Remote Sensing; Optics SC Engineering; Remote Sensing; Optics GA BC8JE UT WOS:000355726100046 ER PT S AU El-Kady, I AF El-Kady, Ihab BE Peters, KJ TI Phonon-based scalable quantum computing and sensing (Presentation Video) SO SMART SENSOR PHENOMENA, TECHNOLOGY, NETWORKS, AND SYSTEMS INTEGRATION 2015 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Smart Sensor Phenomena, Technology, Networks, and Systems Integration CY MAR 09-10, 2015 CL San Diego, CA SP SPIE, Amer Soc Mech Engineers C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP El-Kady, I (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 2 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-539-1 J9 PROC SPIE PY 2015 VL 9436 AR 94360O DI 10.1117/12.2175914 PG 1 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC8GN UT WOS:000355666900017 ER PT J AU Metere, A Sarman, S Oppelstrup, T Dzugutov, M AF Metere, Alfredo Sarman, Sten Oppelstrup, Tomas Dzugutov, Mikhail TI Formation of a columnar liquid crystal in a simple one-component system of particles SO SOFT MATTER LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; COMPUTER-SIMULATION; HEAT-CONDUCTION AB We report a molecular dynamics simulation demonstrating that a columnar liquid crystal, commonly formed by disc-shaped molecules, can be formed by identical particles interacting via a spherically symmetric potential. Upon isochoric cooling from a low-density isotropic liquid state the simulated system underwent a weak first order phase transition which produced a liquid crystal phase composed of parallel particle columns arranged in a hexagonal pattern in the plane perpendicular to the column axis. The particles within columns formed a liquid structure and demonstrated a significant intracolumn diffusion. Further cooling resulted in another first-order transition whereby the column structure became periodically ordered in three dimensions transforming the liquid-crystal phase into a crystal. This result is the first observation of a columnar liquid crystal formation in a simple one-component system of particles. Its conceptual significance is in that it demonstrated that liquid crystals that have so far only been produced in systems of anisometric molecules can also be formed by mesoscopic soft-matter and colloidal systems of spherical particles with appropriately tuned interatomic potential. C1 [Metere, Alfredo] Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden. [Sarman, Sten] Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden. [Oppelstrup, Tomas] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Dzugutov, Mikhail] Royal Inst Technol, Dept Math, S-10044 Stockholm, Sweden. [Dzugutov, Mikhail] Royal Inst Technol, Ctr Parallel Comp, S-10044 Stockholm, Sweden. RP Metere, A (reprint author), Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden. EM alfredo.metere@mmk.su.se FU Swedish E-Science Research Foundation (SERC); Swedish National Research Council (VR) FX We thank Dr B. Sadigh for very useful discussions. This study was supported by the Swedish E-Science Research Foundation (SERC). Funding from the Swedish National Research Council (VR) is gratefully acknowledged. This work has been approved for release under Lawrence Livermore Release No. LLNL-JRNL-656140. NR 35 TC 1 Z9 1 U1 1 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2015 VL 11 IS 23 BP 4606 EP 4613 DI 10.1039/c5sm00570a PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA CJ8FP UT WOS:000355735900007 PM 25959363 ER PT S AU Hoegh, K Khazanovich, L Ferraro, C Clayton, D AF Hoegh, Kyle Khazanovich, Lev Ferraro, Chris Clayton, Dwight BE Chimenti, DE Bond, LJ TI Ultrasonic Linear Array Validation via Concrete Test Blocks SO 41ST ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOL 34 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 41st Annual Review of Progress in Quantitative Nondestructive Evaluation (QNDE) CY JUL 20-25, 2014 CL Boise, ID SP Ctr Nondestruct Evaluat, Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, World Federat NDE Ctr, Natl Sci Fdn, Ind Univ Co Operat Res Ctr Program AB Oak Ridge National Laboratory (ORNL) comparatively evaluated the ability of a number of NDE techniques to generate an image of the volume of 6.5' X 5.0' X 10 '' concrete specimens fabricated at the Florida Department of Transportation (FDOT) NDE Validation Facility in Gainesville, Florida. These test blocks were fabricated to test the ability of various NDE methods to characterize various placements and sizes of rebar as well as simulated cracking and non-consolidation flaws. The first version of the ultrasonic linear array device, MIRA [version 1], was one of 7 different NDE equipment used to characterize the specimens. This paper deals with the ability of this equipment to determine subsurface characterizations such as reinforcing steel relative size, concrete thickness, irregularities, and inclusions using Kirchhoff-based migration techniques. The ability of individual synthetic aperture focusing technique (SAFT) B-scan cross sections resulting from self-contained scans are compared with various processing, analysis, and interpretation methods using the various features fabricated in the specimens for validation. The performance is detailed, especially with respect to the limitations and implications for evaluation of a thicker, more heavily reinforced concrete structures. C1 [Hoegh, Kyle; Khazanovich, Lev] Univ Minnesota, Dept Civil Environm & Geoengn, Minneapolis, MN 55455 USA. [Clayton, Dwight] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Hoegh, K (reprint author), Univ Minnesota, Dept Civil Environm & Geoengn, 500 Pillsbury Dr SE, Minneapolis, MN 55455 USA. EM hoeg0021@umn.edu NR 10 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1292-7 J9 AIP CONF PROC PY 2015 VL 1650 BP 83 EP 93 DI 10.1063/1.4914597 PG 11 WC Physics, Applied SC Physics GA BC7JI UT WOS:000354938100008 ER PT S AU Albright, A Clayton, D AF Albright, Austin Clayton, Dwight BE Chimenti, DE Bond, LJ TI The Benefits of Using Time-Frequency Analysis with Synthetic Aperture Focusing Technique SO 41ST ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOL 34 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 41st Annual Review of Progress in Quantitative Nondestructive Evaluation (QNDE) CY JUL 20-25, 2014 CL Boise, ID SP Ctr Nondestruct Evaluat, Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, World Federat NDE Ctr, Natl Sci Fdn, Ind Univ Co Operat Res Ctr Program ID WAVELETS AB Improvements in detection and resolution are always desired and needed. There are various instruments available for the inspection of concrete structures that can be used with confidence for detecting different defects. However, more often than not that confidence is heavily dependent on the experience of the operator rather than the clear, objective discernibility of the output of the instrument. The challenge of objective discernment is amplified when the concrete structures contain multiple layers of reinforcement, are of significant thickness, or both, such as concrete structures in nuclear power plants. We seek to improve and extend the usefulness of results produced using the synthetic aperture focusing technique (SAFT) on data collected from thick, complex concrete structures. A secondary goal is to improve existing SAFT results, with regards to repeatedly and objectively identifying defects and/or internal structure of concrete structures. Towards these goals, we are applying the time-frequency technique of wavelet packet decomposition and reconstruction using a mother wavelet that possesses the exact reconstruction property. However, instead of analyzing the coefficients of each decomposition node, we select and reconstruct specific nodes based on the frequency band it contains to produce a frequency band specific time-series representation. SAFT is then applied to these frequency specific reconstructions allowing SAFT to be used to visualize the reflectivity of a frequency band and that band's interaction with the contents of the concrete structure. We apply our technique to data sets collected using a commercial, ultrasonic linear array (MIRA) from two 1.5m x 2m x 25cm concrete test specimens. One specimen contains multiple layers of rebar. The other contains honeycomb, crack, and rebar bonding defect analogs. This approach opens up a multitude of possibilities for improved detection, readability, and overall improved objectivity. We will focus on improved defect/reinforcement isolation in thick and multilayered reinforcement environments. Additionally, the ability to empirically explore the possibility of a frequency-band-defect-type relationship or sensitivity becomes available. C1 [Albright, Austin; Clayton, Dwight] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Albright, A (reprint author), Oak Ridge Natl Lab, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM albrightap@ornl.gov; claytonda@ornl.gov RI Albright, Austin/C-1948-2016 OI Albright, Austin/0000-0002-2129-4074 NR 7 TC 2 Z9 2 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1292-7 J9 AIP CONF PROC PY 2015 VL 1650 BP 94 EP 103 DI 10.1063/1.4914598 PG 10 WC Physics, Applied SC Physics GA BC7JI UT WOS:000354938100009 ER PT S AU Lacy, JM Smith, JA Rabin, BH AF Lacy, Jeffrey M. Smith, James A. Rabin, Barry H. BE Chimenti, DE Bond, LJ TI Developing a Laser Shockwave Model for Characterizing Diffusion Bonded Interfaces SO 41ST ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOL 34 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 41st Annual Review of Progress in Quantitative Nondestructive Evaluation (QNDE) CY JUL 20-25, 2014 CL Boise, ID SP Ctr Nondestruct Evaluat, Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, World Federat NDE Ctr, Natl Sci Fdn, Ind Univ Co Operat Res Ctr Program ID SPALLATION TECHNIQUE; STRENGTH; PULSE AB The US National Nuclear Security Agency has a Global Threat Reduction Initiative (GTRI) with the goal of reducing the worldwide use of high-enriched uranium (HEU). A salient component of that initiative is the conversion of research reactors from HEU to low enriched uranium (LEU) fuels. An innovative fuel is being developed to replace HEU in high-power research reactors. The new LEU fuel is a monolithic fuel made from a U-Mo alloy foil encapsulated in Al-6061 cladding. In order to support the fuel qualification process, the Laser Shockwave Technique (LST) is being developed to characterize the clad-clad and fuel-clad interface strengths in fresh and irradiated fuel plates. LST is a non-contact method that uses lasers for the generation and detection of large amplitude acoustic waves to characterize interfaces in nuclear fuel plates. However, because the deposition of laser energy into the containment layer on a specimen's surface is intractably complex, the shock wave energy is inferred from the surface velocity measured on the backside of the fuel plate and the depth of the impression left on the surface by the high pressure plasma pulse created by the shock laser. To help quantify the stresses generated at the interfaces, a finite element method (FEM) model is being utilized. This paper will report on initial efforts to develop and validate the model by comparing numerical and experimental results for back surface velocities and front surface depressions in a single aluminum plate representative of the fuel cladding. C1 [Lacy, Jeffrey M.; Smith, James A.; Rabin, Barry H.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Lacy, JM (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Jeffrey.Lacy@inl.gov NR 19 TC 0 Z9 0 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1292-7 J9 AIP CONF PROC PY 2015 VL 1650 BP 1376 EP 1385 DI 10.1063/1.4914752 PG 10 WC Physics, Applied SC Physics GA BC7JI UT WOS:000354938100163 ER PT S AU Agarwal, V Tawfik, MS Smith, JA AF Agarwal, Vivek Tawfik, Magdy S. Smith, James A. BE Chimenti, DE Bond, LJ TI Acoustic Emission Signal Processing Technique to Characterize Reactor In-Pile Phenomena SO 41ST ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOL 34 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 41st Annual Review of Progress in Quantitative Nondestructive Evaluation (QNDE) CY JUL 20-25, 2014 CL Boise, ID SP Ctr Nondestruct Evaluat, Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, World Federat NDE Ctr, Natl Sci Fdn, Ind Univ Co Operat Res Ctr Program AB Existing and developing advanced sensor technologies and instrumentation will allow non-intrusive in-pile measurement of temperature, extension, and fission gases when coupled with advanced signal processing algorithms. The transmitted measured sensor signals from inside to the outside of containment structure are corrupted by noise and are attenuated, thereby reducing the signal strength and the signal-to-noise ratio. Identification and extraction of actual signal ( representative of an in-pile phenomenon) is a challenging and complicated process. In the paper, empirical mode decomposition technique is utilized to reconstruct actual sensor signal by partially combining intrinsic mode functions. Reconstructed signal will correspond to phenomena and/or failure modes occurring inside the reactor. In addition, it allows accurate non-intrusive monitoring and trending of in-pile phenomena. C1 [Agarwal, Vivek] Idaho Natl Lab, Dept Human Factors Controls & Stat, Idaho Falls, ID 83415 USA. [Tawfik, Magdy S.] Idaho Natl Lab, Nucl Sci & Technol Directorate, Idaho Falls, ID 83415 USA. [Smith, James A.] Idaho Natl Lab, Dept Fuel Performance & Design, Idaho Falls, ID 83415 USA. RP Agarwal, V (reprint author), Idaho Natl Lab, Dept Human Factors Controls & Stat, Idaho Falls, ID 83415 USA. EM vivek.agarwal@inl.gov; magdy.tawfik@inl.gov; james.smith@inl.gov NR 14 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1292-7 J9 AIP CONF PROC PY 2015 VL 1650 BP 1468 EP 1475 DI 10.1063/1.4914764 PG 8 WC Physics, Applied SC Physics GA BC7JI UT WOS:000354938100175 ER PT S AU Suter, JD Ramuhalli, P McCloy, JS Xu, K Hu, S Li, Y Jiang, W Edwards, DJ Schemer-Kohrn, AL Johnson, BR AF Suter, J. D. Ramuhalli, P. McCloy, J. S. Xu, K. Hu, S. Li, Y. Jiang, W. Edwards, D. J. Schemer-Kohrn, A. L. Johnson, B. R. BE Chimenti, DE Bond, LJ TI Meso-Scale Magnetic Signatures for Nuclear Reactor Steel Irradiation Embrittlement Monitoring SO 41ST ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOL 34 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 41st Annual Review of Progress in Quantitative Nondestructive Evaluation (QNDE) CY JUL 20-25, 2014 CL Boise, ID SP Ctr Nondestruct Evaluat, Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, World Federat NDE Ctr, Natl Sci Fdn, Ind Univ Co Operat Res Ctr Program ID FORCE MICROSCOPY; FIELD; ALLOYS; FILMS AB Verifying the structural integrity of passive components in light water and advanced reactors will be necessary to ensure safe, long-term operations of the existing U.S. nuclear fleet. This objective can be achieved through nondestructive condition monitoring techniques, which can be integrated with plant operations to quantify the 'state of health' of structural materials in real-time. While nondestructive methods for monitoring many classes of degradation (such as fatigue or stress corrosion cracking) are relatively advanced, this is not the case for degradation caused by irradiation. The development of nondestructive evaluation technologies for these types of degradation will require advanced materials characterization techniques and tools that enable comprehensive understanding of nuclear reactor material microstructural and behavioral changes under extreme operating environments. Irradiation-induced degradation of reactor steels causes changes in their microstructure that impacts their micro-magnetic properties. In this paper, we describe preliminary results of integrating advanced material characterization techniques with meso-scale computational models. In the future, this will help to provide an interpretive understanding of the state of degradation in structural materials. Microstructural data are presented from monocrystalline Fe and are correlated with variable-field magnetic force microscopy and micro-magnetic measurements. Ongoing research is focused on extending the measurements and models on thin films to gain insights into the structural state of irradiated materials and the resulting impact on magnetic properties. Preliminary conclusions from these correlations are presented, and next steps described. C1 [Suter, J. D.; Ramuhalli, P.; Hu, S.; Li, Y.; Jiang, W.; Edwards, D. J.; Schemer-Kohrn, A. L.; Johnson, B. R.] Pacific NW Natl Lab, Richland, WA 99352 USA. [McCloy, J. S.; Xu, K.] Washington State Univ, Pullman, WA 99164 USA. RP Ramuhalli, P (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM pradeep.ramuhalli@pnnl.gov; john.mccloy@wsu.edu OI Suter, Jonathan/0000-0001-5709-6988 NR 26 TC 1 Z9 1 U1 1 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1292-7 J9 AIP CONF PROC PY 2015 VL 1650 BP 1476 EP 1485 DI 10.1063/1.4914765 PG 10 WC Physics, Applied SC Physics GA BC7JI UT WOS:000354938100176 ER PT S AU Reinhardt, B Tittmann, B Rempe, J Daw, J Kohse, G Carpenter, D Ames, M Ostrovsky, Y Ramuhalli, P Montgomery, R Chien, H Wernsman, B AF Reinhardt, Brian Tittmann, Bernhard Rempe, Joy Daw, Joshua Kohse, Gordon Carpenter, David Ames, Michael Ostrovsky, Yakov Ramuhalli, Pradeep Montgomery, Robert Chien, Hualte Wernsman, Bernard BE Chimenti, DE Bond, LJ TI Progress Towards Developing Neutron Tolerant Magnetostrictive and Piezoelectric Transducers SO 41ST ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOL 34 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 41st Annual Review of Progress in Quantitative Nondestructive Evaluation (QNDE) CY JUL 20-25, 2014 CL Boise, ID SP Ctr Nondestruct Evaluat, Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, World Federat NDE Ctr, Natl Sci Fdn, Ind Univ Co Operat Res Ctr Program AB Current generation light water reactors (LWRs), sodium cooled fast reactors (SFRs), small modular reactors (SMRs), and next generation nuclear plants (NGNPs) produce harsh environments in and near the reactor core that can severely tax material performance and limit component operational life. To address this issue, several Department of Energy Office of Nuclear Energy (DOE-NE) research programs are evaluating the long duration irradiation performance of fuel and structural materials used in existing and new reactors. In order to maximize the amount of information obtained from Material Testing Reactor (MTR) irradiations, DOE is also funding development of enhanced instrumentation that will be able to obtain in-situ, real-time data on key material characteristics and properties, with unprecedented accuracy and resolution. Such data are required to validate new multi-scale, multi-physics modeling tools under development as part of a science-based, engineering driven approach to reactor development. It is not feasible to obtain high resolution/microscale data with the current state of instrumentation technology. However, ultrasound-based sensors offer the ability to obtain such data if it is demonstrated that these sensors and their associated transducers are resistant to high neutron flux, high gamma radiation, and high temperature. To address this need, the Advanced Test Reactor National Scientific User Facility (ATR-NSUF) is funding an irradiation, led by PSU, at the Massachusetts Institute of Technology Research Reactor to test the survivability of ultrasound transducers. As part of this effort, PSU and collaborators have designed, fabricated, and provided piezoelectric and magnetostrictive transducers that are optimized to perform in harsh, high flux, environments. Four piezoelectric transducers were fabricated with either aluminum nitride, zinc oxide, or bismuth titanate as the active element that were coupled to either Kovar or aluminum waveguides and two magnetostrictive transducers were fabricated with Remendur or Galfenol as the active elements. Pulse-echo ultrasonic measurements of these transducers are made insitu. This paper will present an overview of the test design including selection criteria for candidate materials and optimization of test assembly parameters, data obtained from both out-of-pile and in-pile testing at elevated temperatures, and an assessment based on initial data of the expected performance of ultrasonic devices in irradiation conditions. C1 [Reinhardt, Brian; Tittmann, Bernhard] Penn State Univ, University Pk, PA 16802 USA. [Rempe, Joy; Daw, Joshua] Idaho Natl Lab, Idaho Falls, ID USA. [Kohse, Gordon; Carpenter, David; Ames, Michael; Ostrovsky, Yakov] MIT, Cambridge, MA 02139 USA. [Ramuhalli, Pradeep; Montgomery, Robert] Pacific NW Natl Lab, Richland, WA 99352 USA. [Chien, Hualte] Argonne Natl Lab, Argonne, IL 60439 USA. [Wernsman, Bernard] Bechtel Marine Prop Corp, West Mifflin, PA USA. RP Reinhardt, B (reprint author), Penn State Univ, University Pk, PA 16802 USA. NR 18 TC 0 Z9 0 U1 2 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1292-7 J9 AIP CONF PROC PY 2015 VL 1650 BP 1512 EP 1520 DI 10.1063/1.4914769 PG 9 WC Physics, Applied SC Physics GA BC7JI UT WOS:000354938100180 ER PT S AU Smith, JA Kotter, D Garrett, SL Ali, RA AF Smith, James A. Kotter, Dale Garrett, Steven L. Ali, Randall A. BE Chimenti, DE Bond, LJ TI Designing A TAC Thermometer from a VHTR Graphite Structure SO 41ST ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOL 34 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 41st Annual Review of Progress in Quantitative Nondestructive Evaluation (QNDE) CY JUL 20-25, 2014 CL Boise, ID SP Ctr Nondestruct Evaluat, Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, World Federat NDE Ctr, Natl Sci Fdn, Ind Univ Co Operat Res Ctr Program AB The interior of a nuclear reactor presents a particularly harsh and challenging environment for both sensors and telemetry due to high temperatures and high fluxes of energetic and ionizing particles among the radioactive decay products. Very High Temperature Reactors are pushing the in core temperatures even higher. A unique sensing approach will be discussed to address the necessary high temperature measurements. Thermoacoustic thermometry exploits high temperatures and uses materials that are immune to the effects of ionizing radiation to create a temperature sensor that is self-powered and wireless. In addition, the form-factor for the Thermoacoustic Thermometer (TACT) can be designed to be integrated within common in-pile structures. There are no physical moving parts required for TACT and the sensor is self-powered, as it uses the nuclear fuel for its heat source. TACT data will be presented from a laboratory prototype mimicking the design necessary for a VHTR graphite structure C1 [Smith, James A.; Kotter, Dale] Idaho Natl Lab, Fuel Performance & Design, Idaho Falls, ID 83415 USA. [Garrett, Steven L.; Ali, Randall A.] Penn State Univ, Grad Program Acoust, State Coll, PA 16804 USA. RP Smith, JA (reprint author), Idaho Natl Lab, Fuel Performance & Design, Idaho Falls, ID 83415 USA. EM James.Smith@INL.gov NR 8 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1292-7 J9 AIP CONF PROC PY 2015 VL 1650 BP 1521 EP 1525 DI 10.1063/1.4914770 PG 5 WC Physics, Applied SC Physics GA BC7JI UT WOS:000354938100181 ER PT J AU Chekanov, SV AF Chekanov, S. V. TI HepSim: A Repository with Predictions for High-Energy Physics Experiments SO ADVANCES IN HIGH ENERGY PHYSICS LA English DT Article ID LHC AB A file repository for calculations of cross sections and kinematic distributions using Monte Carlo generators for high-energy collisions is discussed. The repository is used to facilitate effective preservation and archiving of data from theoretical calculations and for comparisons with experimental data. The HepSim data library is publicly accessible and includes a number of Monte Carlo event samples with Standard Model predictions for current and future experiments. The HepSim project includes a software package to automate the process of downloading and viewing online Monte Carlo event samples. Data streaming over a network for end-user analysis is discussed. C1 Argonne Natl Lab, HEP Div, Argonne, IL 60439 USA. RP Chekanov, SV (reprint author), Argonne Natl Lab, HEP Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM chekanov@anl.gov FU Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357] FX The author would like to thank J. Proudfoot and E. May for discussion and validation. The submitted paper has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract no. DE-AC02-06CH11357. 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. A fraction of the simulated event samples presented in this paper were generated using the ATLAS Connect virtual cluster service. NR 29 TC 1 Z9 1 U1 0 U2 1 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-7357 EI 1687-7365 J9 ADV HIGH ENERGY PHYS JI Adv. High. Energy Phys. PY 2015 AR 136093 DI 10.1155/2015/136093 PG 7 WC Physics, Particles & Fields SC Physics GA CI9RZ UT WOS:000355108800001 ER PT J AU Lambert, TN Vigil, JA White, SE Davis, DJ Limmer, SJ Burton, PD Coker, EN Beechem, TE Brumbach, MT AF Lambert, Timothy N. Vigil, Julian A. White, Suzanne E. Davis, Danae J. Limmer, Steven J. Burton, Patrick D. Coker, Eric N. Beechem, Thomas E. Brumbach, Michael T. TI Electrodeposited NixCo3-xO4 nanostructured films as bifunctional oxygen electrocatalysts SO CHEMICAL COMMUNICATIONS LA English DT Article ID BI-FUNCTIONAL ELECTROCATALYST; NONPRECIOUS METAL CATALYST; AIR BATTERY APPLICATIONS; REDUCTION REACTION; NANOWIRE ARRAYS; WATER OXIDATION; REDUCTION/EVOLUTION REACTIONS; ALKALINE ELECTROLYTE; EVOLUTION; EFFICIENT AB Nanostructured NixCo3-xO4 films serve as effective electrocatalysts for both the oxygen reduction and oxygen evolution reactions in alkaline electrolyte. C1 [Lambert, Timothy N.; Vigil, Julian A.; White, Suzanne E.; Davis, Danae J.] Sandia Natl Labs, Dept Mat Devices & Energy Technol, Albuquerque, NM 87185 USA. [Limmer, Steven J.] Sandia Natl Labs, Dept Phys Based Microsyst, Albuquerque, NM 87185 USA. [Burton, Patrick D.] Sandia Natl Labs, Dept Chem & Biol Syst, Albuquerque, NM 87185 USA. [Coker, Eric N.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87185 USA. [Beechem, Thomas E.] Sandia Natl Labs, Dept Nanoscale Sci, Albuquerque, NM 87185 USA. [Brumbach, Michael T.] Sandia Natl Labs, Dept Mat Characterizat & Performance, Albuquerque, NM 87185 USA. RP Lambert, TN (reprint author), Sandia Natl Labs, Dept Mat Devices & Energy Technol, POB 5800, Albuquerque, NM 87185 USA. EM tnlambe@sandia.gov FU Sandia National Laboratories: Sandia is a multi-program laboratory - United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by Sandia National Laboratories: Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. Ms Bonnie McKenzie and Dr Mark Rodriguez are thanked for technical assistance. NR 39 TC 21 Z9 21 U1 8 U2 55 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 46 BP 9511 EP 9514 DI 10.1039/c5cc02262b PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CJ2WP UT WOS:000355345700022 PM 25967276 ER PT J AU Lauritzen, PH Conley, AJ Lamarque, JF Vitt, F Taylor, MA AF Lauritzen, P. H. Conley, A. J. Lamarque, J-F Vitt, F. Taylor, M. A. TI The terminator "toy" chemistry test: a simple tool to assess errors in transport schemes SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID 2-DIMENSIONAL LINEAR TRANSPORT; LAGRANGIAN ADVECTION SCHEME; STEP INTEGRATION METHODS; SHALLOW-WATER EQUATIONS; TEST-CASE SUITE; MOISTURE TRANSPORT; DYNAMICAL CORE; SPHERE; MODEL; RADICALS AB This test extends the evaluation of transport schemes from prescribed advection of inert scalars to reactive species. The test consists of transporting two interacting chemical species in the Nair and Lauritzen 2-D idealized flow field. The sources and sinks for these two species are given by a simple, but non-linear, "toy" chemistry that represents combination (X + X -> X-2) and dissociation (X-2 -> X + X). This chemistry mimics photolysis-driven conditions near the solar terminator, where strong gradients in the spatial distribution of the species develop near its edge. Despite the large spatial variations in each species, the weighted sum X-T = X + 2X(2) should always be preserved at spatial scales at which molecular diffusion is excluded. The terminator test demonstrates how well the advection-transport scheme preserves linear correlations. Chemistry-transport (physics-dynamics) coupling can also be studied with this test. Examples of the consequences of this test are shown for illustration. C1 [Lauritzen, P. H.; Conley, A. J.; Lamarque, J-F; Vitt, F.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Taylor, M. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lauritzen, PH (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. EM pel@ucar.edu RI Lamarque, Jean-Francois/L-2313-2014 OI Lamarque, Jean-Francois/0000-0002-4225-5074 FU National Science Foundation (NSF); Department of Energy (DOE) Office of Biological & Environmental Research [SC0006747]; Department of Energy Office of Biological and Environmental Research [12-015335] FX NCAR is sponsored by the National Science Foundation (NSF). Jean-Francois Lamarque, Andrew Conley and Francis Vitt were partially funded by the Department of Energy (DOE) Office of Biological & Environmental Research under grant number SC0006747. Mark Taylor was supported by the Department of Energy Office of Biological and Environmental Research, work package 12-015335, "Applying Computationally Efficient Schemes for BioGeochemical Cycles". Thanks to Oksana Guba for discussions on the CAM-SE limiter. The authors are grateful to Michael Prather for the many discussions on simplified chemistry. We thank the reviewers for their constructive comments that greatly improved the manuscript. NR 47 TC 2 Z9 2 U1 1 U2 2 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2015 VL 8 IS 5 BP 1299 EP 1313 DI 10.5194/gmd-8-1299-2015 PG 15 WC Geosciences, Multidisciplinary SC Geology GA CJ2BK UT WOS:000355289000003 ER PT J AU Tilmes, S Lamarque, JF Emmons, LK Kinnison, DE Ma, PL Liu, X Ghan, S Bardeen, C Arnold, S Deeter, M Vitt, F Ryerson, T Elkins, JW Moore, F Spackman, JR Martin, MV AF Tilmes, S. Lamarque, J-F Emmons, L. K. Kinnison, D. E. Ma, P-L Liu, X. Ghan, S. Bardeen, C. Arnold, S. Deeter, M. Vitt, F. Ryerson, T. Elkins, J. W. Moore, F. Spackman, J. R. Martin, M. Val TI Description and evaluation of tropospheric chemistry and aerosols in the Community Earth System Model (CESM1.2) SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID ATMOSPHERIC CHEMISTRY; CLIMATE MODEL; GLOBAL BUDGET; OZONE; REPRESENTATION; TRANSPORT; PREINDUSTRIAL; VARIABILITY; LIFETIME; PACIFIC AB The Community Atmosphere Model (CAM), version 5, is now coupled to extensive tropospheric and stratospheric chemistry, called CAM5-chem, and is available in addition to CAM4-chem in the Community Earth System Model (CESM) version 1.2. The main focus of this paper is to compare the performance of configurations with internally derived "free running" (FR) meteorology and "specified dynamics" (SD) against observations from surface, aircraft, and satellite, as well as understand the origin of the identified differences. We focus on the representation of aerosols and chemistry. All model configurations reproduce tropospheric ozone for most regions based on in situ and satellite observations. However, shortcomings exist in the representation of ozone precursors and aerosols. Tropospheric ozone in all model configurations agrees for the most part with ozonesondes and satellite observations in the tropics and the Northern Hemisphere within the variability of the observations. Southern hemispheric tropospheric ozone is consistently underestimated by up to 25 %. Differences in convection and stratosphere to troposphere exchange processes are mostly responsible for differences in ozone in the different model configurations. Carbon monoxide (CO) and other volatile organic compounds are largely underestimated in Northern Hemisphere mid-latitudes based on satellite and aircraft observations. Nitrogen oxides (NOx) are biased low in the free tropical troposphere, whereas peroxyacetyl nitrate (PAN) is overestimated in particular in high northern latitudes. The present-day methane lifetime estimates are compared among the different model configurations. These range between 7.8 years in the SD configuration of CAM5-chem and 8.8 years in the FR configuration of CAM4-chem and are therefore underestimated compared to observational estimations. We find that differences in tropospheric aerosol surface area between CAM4 and CAM5 play an important role in controlling the burden of the tropical tropospheric hydroxyl radical (OH), which causes differences in tropical methane lifetime of about half a year between CAM4-chem and CAM5-chem. In addition, different distributions of NOx from lightning explain about half of the difference between SD and FR model versions in both CAM4-chem and CAM5-chem. Remaining differences in the tropical OH burden are due to enhanced tropical ozone burden in SD configurations compared to the FR versions, which are not only caused by differences in chemical production or loss but also by transport and mixing. For future studies, we recommend the use of CAM5-chem configurations, due to improved aerosol description and inclusion of aerosol-cloud interactions. However, smaller tropospheric surface area density in the current version of CAM5-chem compared to CAM4-chem results in larger oxidizing capacity in the troposphere and therefore a shorter methane lifetime. C1 [Tilmes, S.; Lamarque, J-F; Emmons, L. K.; Kinnison, D. E.; Bardeen, C.; Deeter, M.; Vitt, F.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Ma, P-L; Ghan, S.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Liu, X.] Univ Wyoming, Laramie, WY 82071 USA. [Arnold, S.] Univ Leeds, Sch Earth & Environm, Leeds, W Yorkshire, England. [Ryerson, T.; Elkins, J. W.; Moore, F.; Spackman, J. R.] NOAA, Earth Syst Res Lab, Boulder, CO USA. [Spackman, J. R.] Sci & Technol Corp, Boulder, CO USA. [Martin, M. Val] Univ Sheffield, Dept Chem & Biol Engn, Sheffield, S Yorkshire, England. RP Tilmes, S (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. EM tilmes@ucar.edu RI Liu, Xiaohong/E-9304-2011; Ma, Po-Lun/G-7129-2015; Ryerson, Tom/C-9611-2009; Lamarque, Jean-Francois/L-2313-2014; Ghan, Steven/H-4301-2011; Deeter, Merritt/O-6078-2016; Emmons, Louisa/R-8922-2016; Manager, CSD Publications/B-2789-2015 OI Liu, Xiaohong/0000-0002-3994-5955; Ma, Po-Lun/0000-0003-3109-5316; Lamarque, Jean-Francois/0000-0002-4225-5074; Ghan, Steven/0000-0001-8355-8699; Deeter, Merritt/0000-0002-3555-0518; Emmons, Louisa/0000-0003-2325-6212; Arnold, Steve/0000-0002-4881-5685; FU National Science Foundation; Office of Science (BER) of the US Department of Energy; US Department of Energy, Office of Science, Basic Energy Research; DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX We thank the HIPPO team for performing reliable aircraft observations used in this study, in particular Steven Wofsy for leading the campaigns, Joshua Schwarz and Anne Perring or providing black carbon observations, and Ru-Shan Gao for providing ozone observations. We also thank Kenneth Aikin for providing airborne observations in a unified and user-friendly format. MERRA data used in this study have been provided by the Global Modeling and Assimilation Office (GMAO) at NASA Goddard Space Flight Center through the NASA GES DISC online archive. The CESM project is supported by the National Science Foundation and the Office of Science (BER) of the US Department of Energy. The National Center for Atmospheric Research is funded by the National Science Foundation. S. Ghan and P.-L. Ma were supported by the US Department of Energy, Office of Science, Basic Energy Research as part of the Scientific Discoveries through Advanced Computing program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 60 TC 24 Z9 24 U1 5 U2 34 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2015 VL 8 IS 5 BP 1395 EP 1426 DI 10.5194/gmd-8-1395-2015 PG 32 WC Geosciences, Multidisciplinary SC Geology GA CJ2BK UT WOS:000355289000009 ER PT J AU Jung, HB Carroll, KC Kabilan, S Heldebrant, DJ Hoyt, D Zhong, L Varga, T Stephens, S Adams, L Bonneville, A Kuprat, A Fernandez, A AF Jung, H. B. Carroll, K. C. Kabilan, S. Heldebrant, D. J. Hoyt, D. Zhong, L. Varga, T. Stephens, S. Adams, L. Bonneville, A. Kuprat, A. Fernandez, A. TI Stimuli-responsive/rheoreversible hydraulic fracturing fluids as a greener alternative to support geothermal and fossil energy production SO GREEN CHEMISTRY LA English DT Article ID NUCLEAR-MAGNETIC-RESONANCE; THERMAL-DEGRADATION; ART CONSERVATION; WORMLIKE MICELLES; CARBON-DIOXIDE; IMAGING DATA; NATURAL-GAS; POLYMER; CO2; GELS AB Cost-effective yet safe creation of high-permeability reservoirs within deep bedrock is the primary challenge for the viability of enhanced geothermal systems (EGS) and unconventional oil/gas recovery. Although fracturing fluids are commonly used for oil/gas, standard fracturing methods are not developed or proven for EGS temperatures and pressures. Furthermore, the environmental impacts of currently used fracturing methods are only recently being determined. Widespread concerns about the environmental contamination have resulted in a number of regulations for fracturing fluids advocating for greener fracturing processes. To enable EGS feasibility and lessen environmental impact of reservoir stimulation, an environmentally benign, CO2-activated, rheoreversible fracturing fluid that enhances permeability through fracturing due to in situ volume expansion and gel formation is investigated herein. The chemical mechanism, stability, phase-change behavior, and rheology for a novel polyallylamine (PAA)-CO2 fracturing fluid was characterized at EGS temperatures and pressures. Hydrogel is formed upon reaction with CO2, and this process is reversible (via CO2 depressurization or solubilizing with a diluted acid) allowing potential removal from the formation and recycling, decreasing environmental impact. Rock obtained from the Coso geothermal field was fractured in laboratory-scale experiments under various EGS temperatures and pressures at significantly (at least an order of magnitude) lower effective stress than standard fracturing fluids, and the fractures were characterized with imaging, permeability measurement, and flow modeling. Although additional work is required to further understand the fluid properties, potential and limitations, this novel fracturing fluid and process represent a potential alternative to conventional fracturing fluids to vastly reduce water usage and the environmental impact of fracturing practices and effectively make EGS production and unconventional oil/gas exploitation cost-effective and cleaner. C1 [Jung, H. B.; Kabilan, S.; Heldebrant, D. J.; Hoyt, D.; Zhong, L.; Varga, T.; Stephens, S.; Adams, L.; Bonneville, A.; Kuprat, A.; Fernandez, A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Carroll, K. C.] New Mexico State Univ, Las Cruces, NM 88003 USA. RP Fernandez, A (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM carlos.fernandez@pnnl.gov RI Carroll, Kenneth/H-5160-2011; OI Carroll, Kenneth/0000-0003-2097-9589; Kuprat, Andrew/0000-0003-4159-918X FU Geothermal Technology Office of the U.S. Department of Energy; U.S. Department of Energy [DE-AC06-76RLO 1830.]; EMSL [47743] FX We are grateful to Professor Joseph Moore at Energy & Geoscience Institute for providing rock cores from the Coso geothermal field, Dr. Eric Walter for assistance with NMR analysis, Mrs. Maura Zimmerschied and Dr Steven Wiley for very useful edits and suggestions. XMT and NMR analyses were performed in EMSL (Environmental Molecular Sciences Laboratory; EMSL proposal #47743), a DOE national scientific user facility at Pacific Northwest National Laboratory (PNNL). Funding for this research was provided by the Geothermal Technology Office of the U.S. Department of Energy. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. NR 53 TC 10 Z9 10 U1 6 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PY 2015 VL 17 IS 5 BP 2799 EP 2812 DI 10.1039/c4gc01917b PG 14 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA CI0EQ UT WOS:000354409500025 ER PT J AU Zhu, MH Zhao, JM Li, YB Mehio, N Qi, YR Liu, HZ Dai, S AF Zhu, Menghao Zhao, Junmei Li, Yingbo Mehio, Nada Qi, Yuruo Liu, Huizhou Dai, Sheng TI An ionic liquid-based synergistic extraction strategy for rare earths SO GREEN CHEMISTRY LA English DT Article ID DI-(2-ETHYLHEXYL) 2-ETHYLHEXYL PHOSPHONATE; SOLVENT-EXTRACTION; NITRATE MEDIUM; SELECTIVE EXTRACTION; SUPERCRITICAL CO2; TRANSITION-METALS; CYANEX 923; TEMPERATURE; SEPARATION; LANTHANIDES AB In this work, a novel IL-based synergistic extraction system utilizing the ionic liquid tricaprylmethyl-ammonium nitrate ([A336][NO3]) and the commercial extractant di(2-ethylhexyl) 2-ethylhexyl phosphonate (DEHEHP) was developed for the extraction of rare earth (RE) nitrates. Pr(III) was used as a model RE and the effects of key factors, i.e. the ratio of [A336][NO3] to DEHEHP, the acidity of feed solutions, and the concentration of a salting-out reagent, were systematically studied. Our results demonstrate that the mixture of [A336][NO3] and DEHEHP had an obviously synergistic extraction effect for the extraction of Pr(III). The maximum synergistic enhancement coefficient of 3.44 was attained at X-A = 0.4 (v%). Alternatively, a mixture of [A336][Cl] and DEHEHP hardly extracted Pr(III) from chloride media. Moreover, we investigated the Pr(III) extraction mechanism and demonstrated that Pr(III) can be extracted as the neutral complexation species Pr(NO3)(3)center dot chi DEHEHP and the ion-type species [A336](y)center dot Pr(NO3)(3+y). These extraction processes can effectively hamper the release of organic cation-ligands into the aqueous phase. The synergistic extraction effect is mainly derived from the enhanced solubility of the extracted species in the ionic liquid phase. The extraction behaviors of Pr(III) could be properly described by Langmuir and pseudo-second-order rate equations. An increase in temperature was unfavorable for the extraction reaction but greatly improved the extraction rate. Interestingly, the mixed IL extraction system has an obviously synergistic extraction effect for light REs (LREs, La-Eu), but an anti-synergistic effect for heavy REs (HREs, Gd-Lu, Y), thus indicating that our synergistic extraction system is helpful for the separation of LREs from HREs. In addition, the high selectivity between REs and non-REs suggested that the recovery of REs from a complicated high-salt leachate could be highly possible. It demonstrates that the IL-based synergistic extraction strategy developed in this work is promising and sustainable, and as a result the development of an IL-based synergistic extraction process for the recovery of REs is straightforwardly envisaged. C1 [Zhu, Menghao; Zhao, Junmei; Li, Yingbo; Qi, Yuruo; Liu, Huizhou] Chinese Acad Sci, Inst Proc Engn, Key Lab Green Proc & Engn, Beijing 100190, Peoples R China. [Zhu, Menghao; Qi, Yuruo] Univ Chinese Acad Sci, Beijing 100049, Peoples R China. [Zhao, Junmei; Mehio, Nada; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Zhao, JM (reprint author), Chinese Acad Sci, Inst Proc Engn, Key Lab Green Proc & Engn, Beijing 100190, Peoples R China. EM jmzhao@ipe.ac.cn RI Dai, Sheng/K-8411-2015 OI Dai, Sheng/0000-0002-8046-3931 FU "973" Project [2012CBA01202]; Key Research Program of the Chinese Academy of Sciences [KGZD-EW-201-1]; State Scholarship Fund from China Scholarship Council; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division FX This work was supported by the "973" Project (2012CBA01202) and the Key Research Program of the Chinese Academy of Sciences (KGZD-EW-201-1). This work was also supported by the State Scholarship Fund from China Scholarship Council. SD was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. NR 45 TC 18 Z9 18 U1 12 U2 105 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PY 2015 VL 17 IS 5 BP 2981 EP 2993 DI 10.1039/c5gc00360a PG 13 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA CI0EQ UT WOS:000354409500044 ER PT J AU Budhi, S Mukarakate, C Iisa, K Pylypenko, S Ciesielski, PN Yung, MM Donohoe, BS Katahira, R Nimlos, MR Trewyn, BG AF Budhi, Sridhar Mukarakate, Calvin Iisa, Kristiina Pylypenko, Svitlana Ciesielski, Peter N. Yung, Matthew M. Donohoe, Bryon S. Katahira, Rui Nimlos, Mark R. Trewyn, Brian G. TI Molybdenum incorporated mesoporous silica catalyst for production of biofuels and value-added chemicals via catalytic fast pyrolysis SO GREEN CHEMISTRY LA English DT Article ID X-RAY PHOTOELECTRON; MOLECULAR CHARACTERIZATION; BIOMASS; CONVERSION; DEHYDRATION; FRUCTOSE; TRANSFORMATION; NANOPARTICLES; DERIVATIVES; OXIDATION AB Production of value-added furans and phenols from biomass through catalytic fast pyrolysis of pine using molybdenum supported on KIT-5 mesoporous silica was explored. Catalysts containing different loadings of molybdenum were synthesized and characterized by X-ray diffraction, physisorption and chemisorption analysis, various electron microscopic techniques and X-ray photoelectron spectroscopy. Characterization studies indicate that molybdenum is homogeneously distributed over the KIT-5 silica support in a +6 oxidation state. Fast pyrolysis of pine using molecular beam mass spectrometry with fresh Mo catalyst preferentially produced furans and phenols over conventionally observed aromatic hydrocarbons. Detailed investigation of model biopolymers indicates that the furans originated from the carbohydrate portion of the biomass and the phenols emerged predominantly from the lignin portion of biomass. Results obtained from MBMS were complemented using pyrolytic-GCMS. C1 [Budhi, Sridhar; Mukarakate, Calvin; Iisa, Kristiina; Ciesielski, Peter N.; Yung, Matthew M.; Donohoe, Bryon S.; Katahira, Rui; Nimlos, Mark R.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Budhi, Sridhar; Pylypenko, Svitlana; Trewyn, Brian G.] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. RP Budhi, S (reprint author), Natl Renewable Energy Lab, 15523 Denver West Pkwy, Golden, CO 80401 USA. EM Calvin.Mukarakate@nrel.gov; btrewyn@mines.edu RI Budhi, Sridhar/B-2157-2017 OI Budhi, Sridhar/0000-0003-2514-5161 FU U.S. Department of Energy's Bioenergy Technologies Office (DOE-BETO) [DE-AC36-08GO28308]; National Renewable Energy Laboratory; Colorado School of Mines FX This work was supported by U.S. Department of Energy's Bioenergy Technologies Office (DOE-BETO) under contract no. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. Also BGT and SB would like to thank the Colorado School of Mines for support of this project. Thanks to Daniel Carpenter for support with MBMS experiments. NR 47 TC 4 Z9 4 U1 2 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PY 2015 VL 17 IS 5 BP 3035 EP 3046 DI 10.1039/c4gc02477j PG 12 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA CI0EQ UT WOS:000354409500050 ER PT J AU El Mehdawi, AF Lindblom, SD Cappa, JJ Fakra, SC Pilon-Smits, EAH AF El Mehdawi, Ali F. Lindblom, Stormy D. Cappa, Jennifer J. Fakra, Sirine C. Pilon-Smits, Elizabeth A. H. TI Do Selenium Hyperaccumulators Affect Selenium Speciation in Neighboring Plants and Soil? An X-Ray Microprobe Analysis SO INTERNATIONAL JOURNAL OF PHYTOREMEDIATION LA English DT Article; Proceedings Paper CT 10th International Phytotechnology Conference CY OCT 01-04, 2013 CL Syracuse, NY DE Artemisia ludoviciana; Chenopodium album; Symphyotrichum ericoides; X-ray absorption near-edge structure spectroscopy; X-ray fluorescence mapping ID PRAIRIE DOG HERBIVORY; STANLEYA-PINNATA; ASTRAGALUS-BISULCATUS; PROTECTS PLANTS; ACCUMULATION; TOLERANCE; TOXICITY; SELENOCYSTEINE; ASSIMILATION; DETERRENCE AB Neighbors of Se hyperaccumulators Stanleya pinnata and Astragalus bisulcatus were found earlier to have elevated Se levels. Here we investigate whether Se hyperaccumulators affect Se localization and speciation in surrounding soil and neighboring plants. X-ray fluorescence mapping and X-ray absorption near-edge structure spectroscopy were used to analyze Se localization and speciation in leaves of Artemisia ludoviciana, Symphyotrichum ericoides and Chenopodium album growing next to Se hyperaccumulators or non-accumulators at a seleniferous site. Regardless of neighbors, A. ludoviciana, S. ericoides and C. album accumulated predominantly (73-92%) reduced selenocompounds with XANES spectra similar to the C-Se-C compounds selenomethionine and methyl-selenocysteine. Preliminary data indicate that the largest Se fraction (65-75%), both in soil next to hyperaccumulator S. pinnata and next to nonaccumulator species was reduced Se with spectra similar to C-Se-C standards. These same C-Se-C forms are found in hyperaccumulators. Thus, hyperaccumulator litter may be a source of organic soil Se, but soil microorganisms may also contribute. These findings are relevant for phytoremediation and biofortification since organic Se is more readily accumulated by plants, and more effective for dietary Se supplementation. C1 [El Mehdawi, Ali F.; Lindblom, Stormy D.; Cappa, Jennifer J.; 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]; Libyan government; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Division of Materials Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX Funding for these studies was provided by National Science Foundation grant # IOS-0817748 to Elizabeth A. H. Pilon-Smits and a graduate fellowship from the Libyan government to Ali F. El Mehdawi. 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 63 TC 5 Z9 5 U1 2 U2 15 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1522-6514 EI 1549-7879 J9 INT J PHYTOREMEDIAT JI Int. J. Phytoremediat. PY 2015 VL 17 IS 8 SI SI BP 753 EP 765 DI 10.1080/15226514.2014.987374 PG 13 WC Environmental Sciences SC Environmental Sciences & Ecology GA CJ4TV UT WOS:000355480700005 PM 26030363 ER PT J AU Yu, JG Valderrama, B Henderson, HB Manuel, MV Allen, T AF Yu, Jianguo Valderrama, Billy Henderson, Hunter B. Manuel, Michele V. Allen, Todd TI Near Surface Stoichiometry in UO2: A Density Functional Theory Study SO JOURNAL OF CHEMISTRY LA English DT Article ID AUGMENTED-WAVE METHOD; URANIUM-DIOXIDE; THERMOPHYSICAL PROPERTIES; MOLECULAR-DYNAMICS; ENERGY; SIMULATION; SPECTRA; METALS; OXIDES; OXYGEN AB The mechanisms of oxygen stoichiometry variation in UO2 at different temperature and oxygen partial pressure are important for understanding the dynamics of microstructure in these crystals. However, very limited experimental studies have been performed to understand the atomic structure of UO2 near surface and defect effects of near surface on stoichiometry in which the system can exchange atoms with the external reservoir. In this study, the near (110) surface relaxation and stoichiometry in UO2 have been studied with density functional theory (DFT) calculations. On the basis of the point-defect model (PDM), a general expression for the near surface stoichiometric variation is derived by using DFT total-energy calculations and atomistic thermodynamics, in an attempt to pin down the mechanisms of oxygen exchange between the gas environment and defected UO2. By using the derived expression, it is observed that, under poor oxygen conditions, the stoichiometry of near surface is switched from hyperstoichiometric at 300 K with a depth around 3 nm to near-stoichiometric at 1000 K and hypostoichiometric at 2000 K. Furthermore, at very poor oxygen concentrations and high temperatures, our results also suggest that the bulk of the UO2 prefers to be hypostoichiometric, although the surface is near-stoichiometric. C1 [Yu, Jianguo; Allen, Todd] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Valderrama, Billy; Henderson, Hunter B.; Manuel, Michele V.] Univ Florida, Gainesville, FL 32611 USA. RP Yu, JG (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM jianguo.yu@inl.gov RI Yu, Jianguo/C-3424-2013 OI Yu, Jianguo/0000-0001-5604-8132 FU Center for Materials Science of Nuclear Fuel, an Energy Frontier Research Center (EFRC) - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [FWP 1356] FX This work was supported by the Center for Materials Science of Nuclear Fuel, an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award no. FWP 1356. The computations were performed using resources of the Idaho National Laboratory (INL) High Performance Computing facilities. NR 37 TC 0 Z9 0 U1 6 U2 30 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 2090-9063 EI 2090-9071 J9 J CHEM-NY JI J. Chem. PY 2015 AR 142510 DI 10.1155/2015/142510 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA CJ4VF UT WOS:000355484900001 ER PT J AU Zeng, XY You, CH Leng, LM Dang, D Qiao, XC Li, XH Li, YW Liao, SJ Adzic, RR AF Zeng, Xiaoyuan You, Chenghang Leng, Limin Dang, Dai Qiao, Xiaochang Li, Xuehui Li, Yingwei Liao, Shijun Adzic, Radoslav R. TI Ruthenium nanoparticles mounted on multielement co-doped graphene: an ultra-high-efficiency cathode catalyst for Li-O-2 batteries SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID LITHIUM-OXYGEN BATTERIES; LI-AIR BATTERY; BIFUNCTIONAL CATALYST; POROUS GRAPHENE; IN-SITU; ELECTROCATALYTIC ACTIVITY; NONAQUEOUS ELECTROLYTES; REDUCTION REACTION; OXIDE CATALYSTS; LONG-LIFE AB Developing a high-performance Li-O-2 battery demands an air electrode with a high-efficiency bifunctional catalyst. Here we designed a new type of bifunctional cathode catalyst by mounting ruthenium nanoparticles on reduced graphene oxide co-doped with nitrogen, iron, and cobalt. The catalyst exhibited significantly higher ORR and OER activities than a commercial Pt/C catalyst in both aqueous and non-aqueous electrolytes. With this novel catalyst as the cathode, the battery exhibited an ultra-high reversible capacity of 23 905 mA h g(-1) at a current density of 200 mA g(-1). Furthermore, the battery also exhibited an excellent cycling stability-after 300 cycles of limited capacity, the discharge plateau potential decreased only slightly, and the energy efficiency was still above 60%. The battery also demonstrated good rate performance; with discharge current densities of up to 1000 and 2000 mA g(-1), the capacities still reached 14 560 and 6420 mA h g(-1), respectively. We suggest that the excellent performance of our catalyst can be ascribed to the excellent ORR performance of the multielement co-doped graphene and the excellent OER performance of the mounted Ru nanoparticles. In addition, the nanosheet structure with high surface area of the multielement co-doped graphene may result in the formation of uniform Li2O2 nanocrystals, which make the formation (discharge) and decomposition (charge) processes much more reversible. C1 [Zeng, Xiaoyuan; You, Chenghang; Leng, Limin; Dang, Dai; Qiao, Xiaochang; Li, Xuehui; Li, Yingwei; Liao, Shijun] S China Univ Technol, Sch Chem & Chem Engn, Key Lab Fuel Cell Technol Guangdong Prov, Guangzhou 510641, Guangdong, Peoples R China. [Zeng, Xiaoyuan; You, Chenghang; Leng, Limin; Dang, Dai; Qiao, Xiaochang; Li, Xuehui; Li, Yingwei; Liao, Shijun] S China Univ Technol, Sch Chem & Chem Engn, Key Lab New Energy Technol Guangdong Univ, Guangzhou 510641, Guangdong, Peoples R China. [Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Liao, SJ (reprint author), S China Univ Technol, Sch Chem & Chem Engn, Key Lab Fuel Cell Technol Guangdong Prov, Guangzhou 510641, Guangdong, Peoples R China. EM chsjliao@scut.edu.cn RI Liao, Shijun/C-1745-2012; Li, Yingwei/M-6479-2014; OI Li, Yingwei/0000-0003-1527-551X; You, Chenghang/0000-0001-8232-2262 FU National Science Foundation of China (NSFC) [21076089, 21276098, 11132004, U1301245]; Ministry of Science and Technology of China [2012AA053402]; Guangdong Natural Science Foundation [S2012020011061]; Ministry of Education of China [20110172110012]; Basic Scientific Foundation of the Central Universities of China [2013ZP0013] FX This work was supported by the National Science Foundation of China (NSFC Project nos 21076089, 21276098, 11132004, and U1301245), the Ministry of Science and Technology of China (Project no. 2012AA053402), the Guangdong Natural Science Foundation (Project no. S2012020011061), the Doctoral Fund of the Ministry of Education of China (20110172110012), and the Basic Scientific Foundation of the Central Universities of China (no. 2013ZP0013). NR 72 TC 15 Z9 16 U1 24 U2 115 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 2015 VL 3 IS 21 BP 11224 EP 11231 DI 10.1039/c5ta01887k PG 8 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CI7OE UT WOS:000354952500008 ER PT J AU Iddir, H Key, B Dogan, F Russell, JT Long, BR Bareno, J Croy, JR Benedek, R AF Iddir, Hakim Key, Baris Dogan, Fulya Russell, John T. Long, Brandon R. Bareno, Javier Croy, Jason R. Benedek, Roy TI Pristine-state structure of lithium-ion-battery cathode material Li1.2Mn0.4Co0.4O2 derived from NMR bond pathway analysis SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID PAIR DISTRIBUTION FUNCTION; X-RAY; ELECTRODE MATERIAL; LONG-RANGE; OXIDE AB Layered lithium ion battery cathode materials have been extensively investigated, of which layered-layered composites xLi(2)MnO(3)center dot(1 - x)LiMO2 (M = Mn, Co, Ni) are of particular interest, owing to their high energy density. Before the structural transformations that occur in these materials with cycling can be understood, the structure of the pristine material must be established. In this work, NMR spectra are measured for the model layered-layered system xLi(2)MnO(3)center dot(1 - x)LiCoO2 and Bond-Pathway-model analysis is applied to elucidate the atomic arrangement and domain structure of this material in its pristine state, before electrochemical cycling. The simplest structural element of an Li2MnO3 domain consists of a stripe of composition LiMn2 parallel to a crystallographic axis in a metal layer of the composite. A simple model of the composite structure may be constructed by a superposition of such stripes in an LiCoO2 background. We show that such a model can account for most of the features of the observed NMR spectra. C1 [Iddir, Hakim; Russell, John T.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Key, Baris; Dogan, Fulya; Long, Brandon R.; Bareno, Javier; Croy, Jason R.; Benedek, Roy] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Iddir, H (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM iddir@anl.gov FU Vehicle Technologies Program, U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy FX Vehicle Technologies Program, U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy. NR 17 TC 7 Z9 7 U1 3 U2 22 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 2015 VL 3 IS 21 BP 11471 EP 11477 DI 10.1039/c5ta01510c PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CI7OE UT WOS:000354952500037 ER PT J AU Perriot, R Uberuaga, BP AF Perriot, Romain Uberuaga, Blas P. TI Structural vs. intrinsic carriers: contrasting effects of cation chemistry and disorder on ionic conductivity in pyrochlores SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID ELECTRICAL-CONDUCTIVITY; RADIATION TOLERANCE; MOLECULAR-DYNAMICS; A(2)B(2)O(7) PYROCHLORES; GADOLINIUM ZIRCONATE; NUCLEAR-WASTE; OXIDES; FLUORITE; PLUTONIUM; SYSTEM AB We use molecular dynamics simulations to investigate the role of cation disorder on oxygen diffusion in Gd2Zr2O7 (GZO) and Gd2Ti2O7 (GTO) pyrochlores, a class of complex oxides which contain a structural vacancy relative to the basic fluorite structure. The introduction of disorder has distinct effects depending on the chemistry of the material, increasing the mobility of structural carriers by up to four orders of magnitude in GZO. In contrast, in GTO, there is no mobility at zero or low disorder on the ns timescale, but higher disorder liberates the otherwise immobile carriers, allowing diffusion with rates comparable to GZO for the fully disordered material. We show that the cation disorder enhances the diffusivity by both increasing the concentration of mobile structural carriers and their individual mobility. The disorder also influences the diffusion in materials containing intrinsic carriers, such as additional vacancies V-O or oxygen interstitials O-I. While in ordered GZO and GTO the contribution of the intrinsic carriers dominates the overall diffusion of oxygen, O-I in GZO contributes along with structural carriers, and the total diffusion rate can be calculated by assuming simple additive contributions from the two sources. Although the disorder in the materials with intrinsic defects usually enhances the diffusivity as in the defect-free case, in low concentrations, cation antisites A(B) or B-A, where A = Gd and B = Zr or Ti, can act as traps for fast intrinsic defects. The trapping results in a lowering of the diffusivity, and causes a non-monotonic behavior of the diffusivity with disorder. By contrast, in the case of slow intrinsic defects, the main effect of the disorder is to liberate the structural carriers, resulting in an increase of the diffusivity regardless of the defect trapping. C1 [Perriot, Romain; Uberuaga, Blas P.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Perriot, R (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM rperriot@lanl.gov FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; National Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396] FX The authors thank Arthur Voter and Enrique Martinez at LANL for enlightening discussion. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. DOE under contract DE-AC52-06NA25396. NR 46 TC 11 Z9 11 U1 4 U2 21 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 2015 VL 3 IS 21 BP 11554 EP 11565 DI 10.1039/c5ta01692d PG 12 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CI7OE UT WOS:000354952500046 ER PT J AU Gunathilake, C Gorka, J Dai, S Jaroniec, M AF Gunathilake, Chamila Gorka, Joanna Dai, Shen Jaroniec, Mietek TI Amidoxime-modified mesoporous silica for uranium adsorption under seawater conditions SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID INDUCED GRAFT-POLYMERIZATION; METAL-IONS; AQUEOUS-SOLUTION; SEA-WATER; EXTRACTION; RESINS; ORGANOSILICA; ADSORBENTS; NANOFIBERS; ELEMENTS AB Amidoxime-modified ordered mesoporous silica (AO-OMS) materials were prepared by a two-step process involving: (1) co-condensation synthesis of cyanopropyl-containing ordered mesoporous silica (CP-OMS), and (2) conversion of cyanopropyl into amidoxime groups. The aforementioned co-condensation synthesis is simple and less time consuming as compared to the post-synthesis grafting and assures high loading of organic groups. The intermediate CP-OMS exhibited ordered mesoporosity, high specific surface area, and narrow pore size distribution. Interestingly, conversion of CP-OMS to AO-OMS further improved its properties by enhancing the specific surface area and porosity and achieving high loading of amidoxime groups. High affinity of these groups towards uranium species makes the AO-OMS material an attractive sorbent for uranium recovery as evidenced by very high uranium uptake reaching 57 mg of uranium per gram of AO-OMS under seawater conditions. C1 [Gunathilake, Chamila; Jaroniec, Mietek] Kent State Univ, Dept Chem & Biochem, Kent, OH 44242 USA. [Gorka, Joanna; Dai, Shen] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. RP Gunathilake, C (reprint author), Kent State Univ, Dept Chem & Biochem, Kent, OH 44242 USA. EM jaroniec@kent.edu RI Jaroniec, Mietek/A-9733-2008; Dai, Sheng/K-8411-2015 OI Jaroniec, Mietek/0000-0002-1178-5611; Dai, Sheng/0000-0002-8046-3931 FU Office of Nuclear Energy, U.S. Department of Energy FX The TEM data were obtained at the (cryo) TEM facility at the Liquid Crystal Institute, Kent State University, supported by the Ohio Research Scholars Program Research Cluster on Surfaces in Advanced Materials. The authors thank Dr Min Gao and Michal Marszewski for technical support with the TEM experiments. JG and SD thank for support by the Office of Nuclear Energy, U.S. Department of Energy. NR 31 TC 17 Z9 17 U1 15 U2 59 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 2015 VL 3 IS 21 BP 11650 EP 11659 DI 10.1039/c5ta02863a PG 10 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CI7OE UT WOS:000354952500056 ER PT J AU Cullen, DA Lopez-Haro, M Bayle-Guillemaud, P Guetaz, L Debe, MK Steinbach, AJ AF Cullen, D. A. Lopez-Haro, M. Bayle-Guillemaud, P. Guetaz, L. Debe, M. K. Steinbach, A. J. TI Linking morphology with activity through the lifetime of pretreated PtNi nanostructured thin film catalysts SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID MEMBRANE FUEL-CELLS; OXYGEN REDUCTION ACTIVITY; ELECTROCATALYSTS; NANOPARTICLES; STABILITY; NANOPOROSITY; ELECTROLYTE; DISSOLUTION; DURABILITY; ACTIVATION AB The nanoscale morphology of highly active Pt3Ni7 nanostructured thin film fuel cell catalysts is linked with catalyst surface area and activity following catalyst pretreatments, conditioning and potential cycling. The significant role of fuel cell conditioning on the structure and composition of these extended surface catalysts is demonstrated by high resolution imaging, elemental mapping and tomography. The dissolution of Ni during fuel cell conditioning leads to highly complex, porous structures which were visualized in 3D by electron tomography. Quantification of the rendered surfaces following catalyst pretreatment, conditioning, and cycling shows the important role pore structure plays in surface area, activity, and durability. C1 [Cullen, D. A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Lopez-Haro, M.; Bayle-Guillemaud, P.; Guetaz, L.] Univ Grenoble Alpes, F-38000 Grenoble, France. [Lopez-Haro, M.; Bayle-Guillemaud, P.; Steinbach, A. J.] CEA Grenoble, LEMMA, INAC SP2M, F-38054 Grenoble, France. [Guetaz, L.] CEA Grenoble, LITEN, F-38054 Grenoble, France. [Debe, M. K.] 3M Co, 3M Energy Components Program, St Paul, MN 55144 USA. RP Cullen, DA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM cullenda@ornl.gov RI Cullen, David/A-2918-2015; Lopez-Haro, Miguel/D-6722-2013 OI Cullen, David/0000-0002-2593-7866; Lopez-Haro, Miguel/0000-0003-2560-8015 FU Fuel Cell Technologies Office, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy [DE-EE0005667]; ORNL's Center for Nano-phase Materials Sciences (CNMS), which is a DOE Office of Science User Facility FX This work was supported by the Fuel Cell Technologies Office, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy under Award Number DE-EE0005667 and through a user project supported by ORNL's Center for Nano-phase Materials Sciences (CNMS), which is a DOE Office of Science User Facility. NR 31 TC 3 Z9 3 U1 8 U2 40 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 2015 VL 3 IS 21 BP 11660 EP 11667 DI 10.1039/c5ta01854d PG 8 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CI7OE UT WOS:000354952500057 ER PT J AU Adams, BW AF Adams, Bernhard W. TI Coherence conversion for optimized resolution in optical measurements - example of femtosecond time resolution using the transverse coherence of 100-picosecond X-rays SO JOURNAL OF MODERN OPTICS LA English DT Article DE phase space; coherence; laser-pump; X-ray probe spectroscopy; Wigner distribution; femtosecond; XFEL ID WIGNER DISTRIBUTION FUNCTION; EXCEEDING CLASSICAL LIMIT; QUANTUM BEATS; DIFFRACTION EXPERIMENTS; TRANSPORT-EQUATIONS; PHASE RETRIEVAL; ELECTRIC-FIELD; PHOTON SOURCE; LIGHT-HOLE; GAAS AB A way is proposed to obtain a femtosecond time resolution over a picosecond range in laser-pump, X-ray probe spectroscopic measurements where the light source and the detector are much slower than that. It is based on a phase-space transformation from the time/bandwidth to the spatial/wavenumber domain to match the coherence properties of synchrotron radiation to the requirements of femtosecond experiments. In a first step, the geometry of the laser incidence maps time, t, of laser-induced femtosecond dynamics to a spatial coordinate, x. Then, a far-field X-ray diffraction pattern, i.e. the optical Fourier transform, is obtained from the laser-induced modifications of the sample properties, including shifts of X-ray absorption edges and changes in crystallographic unit-cell form factors. Whereas the first step is similar to previously used schemes for femtosecond time resolution, the second one is substantially different with specific advantages discussed in the text. Key to this technique is that the modulus of the Fourier transform is invariant with respect to translations xi along x, which are due to the t-x correlation. It can, therefore, be acquired in a simple intensity measurement with a slow detector. The phase, which does vary strongly with xi, is missing in the intensity data, but can be recovered through a heterodyning technique. Data from a demonstration experiment are presented. The same concept can be used to obtain attosecond time resolution with an X-ray free-electron laser. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Adams, BW (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM adams@aps.anl.gov FU US Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy, Office of Basic Energy Sciences [contract number DE-AC02-06CH11357]. NR 66 TC 0 Z9 0 U1 3 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0950-0340 EI 1362-3044 J9 J MOD OPTIC JI J. Mod. Opt. PY 2015 VL 62 IS 12 BP 989 EP 1006 DI 10.1080/09500340.2015.1019378 PG 18 WC Optics SC Optics GA CJ2OY UT WOS:000355325500004 ER PT J AU Wang, F Karan, NS Nguyen, HM Ghosh, Y Sheehan, CJ Hollingsworth, JA Htoon, H AF Wang, Feng Karan, Niladri S. Hue Minh Nguyen Ghosh, Yagnaseni Sheehan, Chris J. Hollingsworth, Jennifer A. Htoon, Han TI Correlated structural-optical study of single nanocrystals in a gap-bar antenna: effects of plasmonics on excitonic recombination pathways SO NANOSCALE LA English DT Article ID CDSE QUANTUM DOTS; EMISSION RATE; EMITTERS; ENHANCEMENT; PHOTOLUMINESCENCE; NANOPARTICLES; EXCITATION; NANOWIRE AB We performed time-correlated single-photon counting experiments on individual silica coated CdSe/CdS core/thick-shell nanocrystal quantum dots (a.k.a., giant NQDs [g-NQDs]), placed on the plasmonic gap-bar antennas. Optical properties were directly correlated with the scanning electron microscopy (SEM) images of g-NQD-plasmonic antenna coupled structures. The structures, in which the g-NQDs are located in the gap of the antenna, afford a coupling with up to 9.6 fold enhancement of radiative recombination rates. These coupled g-NQDs are also characterized by a strong enhancement of bi-exciton emission efficiency that increases with their radiative enhancement factor. By analysing these findings with a simple model, we show that the plasmonic field of the antenna does not alter the Auger recombination processes of the bi-exciton states. As a result, enhancements of the single and bi-exciton radiative recombination rates lead directly to bi-exciton emission enhancement. These findings suggest that a plasmonic field can be utilized effectively in achieving a strong bi-exciton emission that is needed for photon pair generation and plasmon-assisted lasing. C1 [Wang, Feng; Karan, Niladri S.; Hue Minh Nguyen; Ghosh, Yagnaseni; Sheehan, Chris J.; Hollingsworth, Jennifer A.; Htoon, Han] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Htoon, H (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM htoon@lanl.gov OI Htoon, Han/0000-0003-3696-2896 FU Single Investigator Small Group Research Grant [2009LANL1096]; Division of Materials Science and Engineering (MSE), Office of Basic Energy Sciences (OBES), Office of Science (OS), U.S. Department of Energy (DOE) FX This work was supported by a Single Investigator Small Group Research Grant (2009LANL1096), Division of Materials Science and Engineering (MSE), Office of Basic Energy Sciences (OBES), Office of Science (OS), U.S. Department of Energy (DOE) and conducted at the Center for Integrated Nanotechnologies (CINT), a U.S. DOE, OBES Nanoscale Science Research Center and User Facility. We thank Andrei Piryatinski of LANL, Theoretical Division for a discussion. NR 43 TC 7 Z9 7 U1 3 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 21 BP 9387 EP 9393 DI 10.1039/c5nr00772k PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CI7YM UT WOS:000354983100002 PM 25947939 ER PT J AU Lee, JRI Bagge-Hansen, M Tunuguntla, R Kim, K Bangar, M Willey, TM Tran, IC Kilcoyne, DA Noy, A van Buuren, T AF Lee, Jonathan R. I. Bagge-Hansen, Michael Tunuguntla, Ramya Kim, Kyunghoon Bangar, Mangesh Willey, Trevor M. Tran, Ich C. Kilcoyne, David A. Noy, Aleksandr van Buuren, Tony TI Ordering in bio-inorganic hybrid nanomaterials probed by in situ scanning transmission X-ray microscopy SO NANOSCALE LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; DIMENSIONAL LIPID-BILAYERS; SELF-ASSEMBLED MONOLAYERS; FORCE-FIELD; UNDERPOTENTIAL DEPOSITION; PHOSPHOLIPID-BILAYERS; MODEL MEMBRANES; CHOLESTEROL; ELECTRODES; PHOSPHATIDYLCHOLINE AB Phospholipid bilayer coated Si nanowires are one-dimensional (1D) composites that provide versatile bio-nanoelectronic functionality via incorporation of a wide variety of biomolecules into the phospholipid matrix. The physiochemical behaviour of the phospholipid bilayer is strongly dependent on its structure and, as a consequence, substantial modelling and experimental efforts have been directed at the structural characterization of supported bilayers and unsupported phospholipid vesicles; nonetheless, the experimental studies conducted to date have exclusively involved volume-averaged techniques, which do not allow for the assignment of spatially resolved structural variations that could critically impact the performance of the 1D phospholipid-Si NW composites. In this manuscript, we use scanning transmission X-ray microscopy (STXM) to probe bond orientation and bilayer thickness as a function of position with a spatial resolution of similar to 30 nm for Delta 9-cis 1,2-dioleoyl-sn-glycero-3-phosphocholine layers prepared Si NWs. When coupled with small angle X-ray scattering measurements, the STXM data reveal structural motifs of the Si NWs that give rise to multi-bilayer formation and enable assignment of the orientation of specific bonds known to affect the order and rigidity of phospholipid bilayers. C1 [Lee, Jonathan R. I.; Bagge-Hansen, Michael; Tunuguntla, Ramya; Kim, Kyunghoon; Willey, Trevor M.; Tran, Ich C.; Noy, Aleksandr; van Buuren, Tony] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Kim, Kyunghoon] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Bangar, Mangesh] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Kilcoyne, David A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source Div, Berkeley, CA 94720 USA. RP van Buuren, T (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM vanbuuren1@llnl.gov RI Tran, Ich/C-9869-2014; Foundry, Molecular/G-9968-2014; Kilcoyne, David/I-1465-2013; Willey, Trevor/A-8778-2011 OI Willey, Trevor/0000-0002-9667-8830 FU U.S. Department of Energy (DoE), Office of Basic Energy Sciences, Division of Materials Science and Engineering by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Office of Science, OBES of the U.S. DoE [DE-AC02-05CH11231]; DoE Office of Biological and Environmental Research; National Institutes of Health, National Center for Research Resources, Biomedical Technology Program [5 P41 RR001209] FX This work was performed under the auspices of the U.S. Department of Energy (DoE), Office of Basic Energy Sciences, Division of Materials Science and Engineering by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. The Advanced Light Source is supported by the Director, Office of Science, OBES, of the U.S. DoE under contract no. DE-AC02-05CH11231. SAXS experiments were carried out at the Stanford Synchrotron Radiation Lightsource (SSRL), a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the US DoE Office of Science by Stanford University. The SSRL Structural Molecular Biology Program is supported by the DoE Office of Biological and Environmental Research, and by the National Institutes of Health, National Center for Research Resources, Biomedical Technology Program (5 P41 RR001209). The authors thank the ALS and SSRL staff for their assistance during the course of these experiments. NR 50 TC 0 Z9 0 U1 5 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 21 BP 9477 EP 9486 DI 10.1039/c5nr00622h PG 10 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CI7YM UT WOS:000354983100019 PM 25874680 ER PT J AU Zhao, Y Feng, ZX Xu, ZCJ AF Zhao, Yi Feng, Zhenxing Xu, Zhichuan J. TI Yolk-shell Fe2O3 circle dot C composites anchored on MWNTs with enhanced lithium and sodium storage SO NANOSCALE LA English DT Article ID ION BATTERY ANODES; IRON-OXIDE; METAL-OXIDES; ALPHA-FE2O3 NANOSTRUCTURES; COAXIAL NANOCABLES; CARBON NANOTUBES; PERFORMANCE; CAPACITY; LI; NANOMATERIALS AB A unique architecture with yolk-shell Fe2O3 circle dot C composites attached to the surface of MWNTs is designed. Benefiting from the good electrical conductivity of MWNTs and carbon layers, as well as the large void space to accommodate the volume expansion/extraction of Fe2O3 during battery cycling, the obtained MWNT@Fe2O3 circle dot C exhibited outstanding lithium and sodium storage performance. C1 [Zhao, Yi; Xu, Zhichuan J.] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore. [Feng, Zhenxing] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Xu, Zhichuan J.] Nanyang Technol Univ, Energy Res Inst NTU, Singapore 639798, Singapore. RP Xu, ZCJ (reprint author), Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore. EM xuzc@ntu.edu.sg RI Xu, Zhichuan/D-1661-2013 OI Xu, Zhichuan/0000-0001-7746-5920 FU Nanyang Technological University; Singapore MOE Tier 1 grants [RGT8/13, RG13/13]; Singapore National Research Foundation under its Campus for Research Excellence And Technological Enterprise (CREATE) programme FX This work was supported by the Start-Up Grant of Nanyang Technological University, and the Singapore MOE Tier 1 grants (RGT8/13 and RG13/13) and the Singapore National Research Foundation under its Campus for Research Excellence And Technological Enterprise (CREATE) programme. NR 54 TC 18 Z9 18 U1 12 U2 100 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 21 BP 9520 EP 9525 DI 10.1039/c5nr01281c PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CI7YM UT WOS:000354983100024 PM 25948503 ER PT J AU Liu, S Li, CY Figiel, JJ Brueck, SRJ Brener, I Wang, GT AF Liu, Sheng Li, Changyi Figiel, Jeffrey J. Brueck, Steven R. J. Brener, Igal Wang, George T. TI Continuous and dynamic spectral tuning of single nanowire lasers with subnanometer resolution using hydrostatic pressure SO NANOSCALE LA English DT Article ID SOLAR-CELLS; PHASE-TRANSITION; REFRACTIVE-INDEX; SEMICONDUCTOR NANOWIRES; GAAS NANOWIRES; BAND-GAP; WURTZITE; DEPENDENCE; PHOTODETECTORS; TRANSFORMATION AB We report continuous, dynamic, reversible, and widely tunable lasing from 367 to 337 nm from single GaN nanowires (NWs) by applying hydrostatic pressure up to similar to 7 GPa. The GaN NW lasers, with heights of 4-5 mu m and diameters similar to 140 nm, are fabricated using a lithographically defined two-step top-down technique. The wavelength tuning is caused by an increasing Gamma direct bandgap of GaN with increasing pressure and is precisely controllable to subnanometer resolution. The observed pressure coefficients of the NWs are similar to 40% larger compared with GaN microstructures fabricated from the same material or from reported bulk GaN values, revealing a nanoscale-related effect that significantly enhances the tuning range using this approach. This approach can be generally applied to other semiconductor NW lasers to potentially achieve full spectral coverage from the UV to IR. C1 [Liu, Sheng; Figiel, Jeffrey J.; Brener, Igal; Wang, George T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Liu, Sheng; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Li, Changyi; Brueck, Steven R. J.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA. RP Liu, S (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM snliu@sandia.gov; gtwang@sandia.gov FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank helpful discussions with Dr Michael B. Sinclair, Dr Binsong Li and Dr Hongyou Fan. This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. DOE, Office of Science. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 58 TC 5 Z9 5 U1 1 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 21 BP 9581 EP 9588 DI 10.1039/c5nr01855b PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CI7YM UT WOS:000354983100032 PM 25952721 ER PT J AU Gilbert, DA Ye, L Varea, A Agramunt-Puig, S del Valle, N Navau, C Lopez-Barbera, JF Buchanan, KS Hoffmann, A Sanchez, A Sort, J Liu, K Nogues, J AF Gilbert, Dustin A. Ye, Li Varea, Aida Agramunt-Puig, Sebastia del Valle, Nuria Navau, Carles Francisco Lopez-Barbera, Jose Buchanan, Kristen S. Hoffmann, Axel Sanchez, Alvar Sort, Jordi Liu, Kai Nogues, Josep TI A new reversal mode in exchange coupled antiferromagnetic/ferromagnetic disks: distorted viscous vortex SO NANOSCALE LA English DT Article ID MAGNETIC VORTICES; BIAS; MAGNETORESISTANCE; NANOSTRUCTURES; DEPENDENCE; DRIVEN; DOTS AB Magnetic vortices have generated intense interest in recent years due to their unique reversal mechanisms, fascinating topological properties, and exciting potential applications. In addition, the exchange coupling of magnetic vortices to antiferromagnets has also been shown to lead to a range of novel phenomena and functionalities. Here we report a new magnetization reversal mode of magnetic vortices in exchange coupled Ir20Mn80/Fe20Ni80 microdots: distorted viscous vortex reversal. In contrast to the previously known or proposed reversal modes, the vortex is distorted close to the interface and viscously dragged due to the uncompensated spins of a thin antiferromagnet, which leads to unexpected asymmetries in the annihilation and nucleation fields. These results provide a deeper understanding of the physics of exchange coupled vortices and may also have important implications for applications involving exchange coupled nanostructures. C1 [Gilbert, Dustin A.; Ye, Li; Liu, Kai] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Varea, Aida] Univ Barcelona, Dept Elect, MinD in2UB, E-08028 Barcelona, Spain. [Agramunt-Puig, Sebastia; del Valle, Nuria; Navau, Carles; Francisco Lopez-Barbera, Jose; Sanchez, Alvar; Sort, Jordi; Nogues, Josep] Univ Autonoma Barcelona, Dept Fis, Bellaterra 08193, Barcelona, Spain. [Francisco Lopez-Barbera, Jose; Nogues, Josep] ICN2, Bellaterra 08193, Barcelona, Spain. [Buchanan, Kristen S.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. [Hoffmann, Axel] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Sort, Jordi; Nogues, Josep] ICREA, Barcelona, Spain. RP Liu, K (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. EM kailiu@ucdavis.edu; Josep.Nogues@uab.cat RI Liu, Kai/B-1163-2008; Varea, Aida/L-5723-2014; Nogues, Josep/D-7791-2012; Gilbert, Dustin/G-1683-2011; Sort, Jordi/F-6582-2014; Navau, Carles/O-9936-2015; Hoffmann, Axel/A-8152-2009; Sanchez, Alvaro/C-7041-2008 OI Buchanan, Kristen/0000-0003-0879-0038; Liu, Kai/0000-0001-9413-6782; Varea, Aida/0000-0002-5264-6458; Nogues, Josep/0000-0003-4616-1371; Gilbert, Dustin/0000-0003-3747-3883; Sanchez, Alvaro/0000-0002-2988-0289; Sort, Jordi/0000-0003-1213-3639; Navau, Carles/0000-0003-4763-5305; Hoffmann, Axel/0000-0002-1808-2767; FU US NSF [DMR-1008791, ECCS-1232275]; Generalitat de Catalunya; Spanish Ministerio de Economia y Competitividad (MinECO) [MAT2010-20616-C02, CSD2007-00041, MAT2012-35370]; U. S. Department of Energy, Office of Science, Materials Science and Engineering Division; DOE, Office of Science, Basic Energy Science [DE-AC02-06CH11357]; NSFC [11328402]; ICREA Academia - Generalitat de Catalunya; Severo Ochoa Program (MinECO) [SEV-2013-0295] FX This work was supported by the US NSF (DMR-1008791 and ECCS-1232275), the 2014-SGR-1015 project of the Generalitat de Catalunya, and MAT2010-20616-C02, CSD2007-00041 and MAT2012-35370 projects of the Spanish Ministerio de Economia y Competitividad (MinECO). Work at Argonne was supported by the U. S. Department of Energy, Office of Science, Materials Science and Engineering Division. Fabrication was performed at the Center for Nanoscale Materials, which is supported by DOE, Office of Science, Basic Energy Science under Contract No. DE-AC02-06CH11357. KL acknowledges support from the NSFC (11328402). AS acknowledges a grant from the ICREA Academia, funded by the Generalitat de Catalunya. ICN2 acknowledges support from the Severo Ochoa Program (MinECO, Grant SEV-2013-0295). NR 67 TC 5 Z9 5 U1 6 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 21 BP 9878 EP 9885 DI 10.1039/c5nr01856k PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CI7YM UT WOS:000354983100065 PM 25965577 ER PT J AU Thornton, AW Winkler, DA Liu, MS Haranczyk, M Kennedy, DF AF Thornton, A. W. Winkler, D. A. Liu, M. S. Haranczyk, M. Kennedy, D. F. TI Towards computational design of zeolite catalysts for CO2 reduction SO RSC ADVANCES LA English DT Article ID METAL-ORGANIC FRAMEWORKS; MOLECULAR SIMULATION; NANOPOROUS MATERIALS; POROUS MATERIALS; GAS-ADSORPTION; SEPARATION; CARBON; CAPTURE; PREDICTION; STORAGE AB Carbon dioxide, an energy waste by-product with significant environmental consequences can be utilized and converted into useful chemical products such as formic acid, formaldehyde, methanol or methane, but more energy and cost efficient catalytic processes are required. Here we develop the methodology for the intelligent selection of porous zeolites for dual-adsorption of hydrogen and carbon dioxide as templates for preparing the optimal catalytic environment for carbon dioxide reduction. Useful zeolite catalysts were computationally screened from over 300 thousand zeolite structures using a combination of molecular simulation and machine-learning techniques. Several of the top candidates were very promising energy-efficient templates for catalysis with the potential to perform at 50% above conventional reactors. It is also found that an optimal cavity size of around 6 angstrom is required to maximize the change in entropy-enthalpy upon adsorption with a maximum void space >30% to boost product formation per volume of material. C1 [Thornton, A. W.; Winkler, D. A.; Kennedy, D. F.] CSIRO Mfg Flagship, Clayton, Vic 3169, Australia. [Winkler, D. A.] Monash Inst Pharmaceut Sci, Parkville, Vic 3052, Australia. [Liu, M. S.] CSIRO Digital Prod & Serv Flagship, Clayton, Vic 3169, Australia. [Haranczyk, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Winkler, D. A.] La Trobe Univ, Latrobe Inst Mol Sci, Bundoora, Vic 3086, Australia. RP Thornton, AW (reprint author), CSIRO Mfg Flagship, Private Bag 10, Clayton, Vic 3169, Australia. EM Aaron.Thornton@csiro.au RI Haranczyk, Maciej/A-6380-2014; OI Haranczyk, Maciej/0000-0001-7146-9568; Winkler, David Alan/0000-0003-2423-674X FU CSIRO Advanced Materials, Computational & Simulation Sciences, and Intelligent Processing Transformational Capability Platforms; Science and Industry Endowment Fund through the 'Solving the Energy-Waste Roadblock' project; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-FG02-12ER16362] FX AWT, DAW, MSL and DFK acknowledge the support of the CSIRO Advanced Materials, Computational & Simulation Sciences, and Intelligent Processing Transformational Capability Platforms. AWT and DFK acknowledge the Science and Industry Endowment Fund for support through the 'Solving the Energy-Waste Roadblock' project. MH was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award DE-FG02-12ER16362. NR 58 TC 4 Z9 4 U1 8 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2015 VL 5 IS 55 BP 44361 EP 44370 DI 10.1039/c5ra06214d PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA CI7SM UT WOS:000354964900056 ER PT S AU Tomida, T Wakita, M Vogel, S Sandim, HRZ AF Tomida, T. Wakita, M. Vogel, S. Sandim, H. R. Z. BE Skrotzki, W Oertel, CG TI Quantitative prediction of transformation texture in steel by Double Kurdjumov-Sachs relation SO 17TH INTERNATIONAL CONFERENCE ON TEXTURES OF MATERIALS (ICOTOM 17) SE IOP Conference Series-Materials Science and Engineering LA English DT Proceedings Paper CT 17th International Conference on Textures of Materials (ICOTOM) CY AUG 24-29, 2014 CL Dresden, GERMANY SP Dresden Univ Technol, Inst Struct Phys AB The transformation texture prediction by so-called double K-S relation is described. Various types of transformation textures such as the one in hot-rolled steel sheets and those of texture memory in hot-rolled steel and cold-rolled pure iron have been reported to be able to be quantitatively predicted by this variant selection rule. Recently such an experimental investigation has been extended to the texture memory in ECAP-processed pure iron. Although the type of texture as well as the symmetry of samples in ECAP iron is very different from the previous materials, the investigation has clearly indicated that the double K-S relation should indeed be the mechanism governing variant selection on the phase transformation in iron and steel. C1 [Tomida, T.] Nippon Steel & Sumitomo Met Corp, Tech R&D Bur, Amagasaki, Hyogo, Japan. [Wakita, M.] Nippon Steel & Sumikin Technol, Amagasaki Unit, Amagasaki, Hyogo, Japan. [Vogel, S.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM USA. [Sandim, H. R. Z.] Univ Sao Paulo, Escola Engn Lorena, Lorena, Brazil. RP Tomida, T (reprint author), Nippon Steel & Sumitomo Met Corp, Tech R&D Bur, Amagasaki, Hyogo, Japan. EM tomida-toshiro@nsst.jp RI Sandim, Hugo/F-2778-2013; OI Sandim, Hugo/0000-0003-4522-6639; Vogel, Sven C./0000-0003-2049-0361 NR 6 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1757-8981 J9 IOP CONF SER-MAT SCI PY 2015 VL 82 AR 012060 DI 10.1088/1757-899X/82/1/012060 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA BC7HG UT WOS:000354878500061 ER PT S AU Cromaz, M AF Cromaz, M. GP IOP TI The GRETINA Spectrometer SO 2ND WORKSHOP ON GERMANIUM DETECTORS AND TECHNOLOGIES SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 2nd Workshop on Germanium Detectors and Technologies CY SEP 14-17, 2014 CL Univ S Dakota, South Dakota, SD SP Natl Sci Fdn, S Dakota Governers Off Econ Dev, S Dakota Board Regents, S Dakota Small Business Innovat Res, Vermillion Area Chamber Commerce & Dev Co, Skysprings Nano Mat Inc HO Univ S Dakota ID NUCLEAR ARRAY GRETINA AB The GRETINA spectrometer is a first generation, gamma-ray tracking spectrometer capable of determining the Compton scattering path of gamma-rays incident on the detector volume. This ability allows the Ge detectors to be close packed allowing the detector to be scaled to high efficiencies while maintaining good peak-to-total. GRETINA currently consists of 7 4-detector modules giving approximately 1 pi solid angle coverage with a calorimetric efficiency of 6.3% and tracked efficiency of 4.7% at 1.3 MeV. The array's sensitivity to the position of the gamma ray's first interaction point enables precision event-by-event Doppler correction which allows one to achieve 1% energy resolution even for sources moving at a large fraction of the speed of light such as those encountered at fragmentation facilities such as NSCL and the future FRIB. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Cromaz, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mcromaz@lbl.gov NR 8 TC 1 Z9 1 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 606 AR 012016 DI 10.1088/1742-6596/606/1/012016 PG 7 WC Physics, Multidisciplinary SC Physics GA BC7AI UT WOS:000354705800016 ER PT S AU Guinn, I Abgrall, N Avignone, FT Barabash, AS Bertrand, FE Brudanin, V Busch, M Buuck, M Byram, D Caldwell, AS Chan, YD Christofferson, CD Cuesta, C Detwiler, JA Efremenko, Y Ejiri, H Elliott, SR Galindo-Uribarri, A Giovanetti, GK Goett, J Green, MP Gruszko, J Guiseppe, VE Henning, R Hoppe, EW Howard, S Howe, MA Jasinski, BR Keeter, KJ Kidd, MF Konovalov, SI Kouzes, RT LaFerriere, BD Leon, J MacMullin, J Martin, RD Meijer, SJ Mertens, S Orrell, JL O'Shaughnessy, C Overman, NR Poon, AWP Radford, DC Rager, J Rielage, K Robertson, RGH Romero-Romero, E Ronquest, MC Shanks, B Shirchenko, M Snyder, N Surianol, AM Tedeschi, D Trimble, JE Varner, RL Vasilyev, S Vetter, K Vorren, K White, BR Wilkerson, JF Wiseman, C Xu, W Yakushev, E Yu, CH Yumatov, V AF Guinn, I. Abgrall, N. Avignone, F. T., III Barabash, A. S. Bertrand, F. E. Brudanin, V. Busch, M. Buuck, M. Byram, D. Caldwell, A. S. Chan, Y-D. Christofferson, C. D. Cuesta, C. Detwiler, J. A. Efremenko, Yu. Ejiri, H. Elliott, S. R. Galindo-Uribarri, A. Giovanetti, G. K. Goett, J. Green, M. P. Gruszko, J. Guiseppe, V. E. Henning, R. Hoppe, E. W. Howard, S. Howe, M. A. Jasinski, B. R. Keeter, K. J. Kidd, M. F. Konovalov, S. I. Kouzes, R. T. LaFerriere, B. D. Leon, J. MacMullin, J. Martin, R. D. Meijer, S. J. Mertens, S. Orrell, J. L. O'Shaughnessy, C. Overman, N. R. Poon, A. W. P. Radford, D. C. Rager, J. Rielage, K. Robertson, R. G. H. Romero-Romero, E. Ronquest, M. C. Shanks, B. Shirchenko, M. Snyder, N. Surianol, A. M. Tedeschi, D. Trimble, J. E. Varner, R. L. Vasilyev, S. Vetter, K. Vorren, K. White, B. R. Wilkerson, J. F. Wiseman, C. Xu, W. Yakushev, E. Yu, C-H. Yumatov, V. CA MAJORANA Collaboration GP IOP TI Low Background Signal Readout Electronics for the MAJORANA DEMONSTRATOR SO 2ND WORKSHOP ON GERMANIUM DETECTORS AND TECHNOLOGIES SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 2nd Workshop on Germanium Detectors and Technologies CY SEP 14-17, 2014 CL Univ S Dakota, South Dakota, SD SP Natl Sci Fdn, S Dakota Governers Off Econ Dev, S Dakota Board Regents, S Dakota Small Business Innovat Res, Vermillion Area Chamber Commerce & Dev Co, Skysprings Nano Mat Inc HO Univ S Dakota AB The MAJORANA DEMONSTRATOR is a planned 40 kg array of Germanium detectors intended to demonstrate the feasibility of constructing a tonne-scale experiment that will seek neutrinoless double beta decay (0 nu beta beta) in Ge-76. Such an experiment would require backgrounds of less than 1 count/tonne-year in the 4 keV region of interest around the 2039 keV Q-value of the beta beta decay. Designing low-noise electronics, which must be placed in close proximity to the detectors, presents a challenge to reaching this background target. This paper will discuss the MAJORANA collaboration's solutions to some of these challenges. C1 [Guinn, I.; Buuck, M.; Cuesta, C.; Detwiler, J. A.; Gruszko, J.; Leon, J.; Robertson, R. G. H.] Univ Washington, Ctr Expt Nucl Phys & Astrophys, Seattle, WA 98195 USA. [Guinn, I.; Buuck, M.; Cuesta, C.; Detwiler, J. A.; Gruszko, J.; Leon, J.; Robertson, R. G. H.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Abgrall, N.; Chan, Y-D.; Mertens, S.; Poon, A. W. P.; Vetter, K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Avignone, F. T., III; Guiseppe, V. E.; Tedeschi, D.; Wiseman, C.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Avignone, F. T., III; Bertrand, F. E.; Galindo-Uribarri, A.; Green, M. P.; Radford, D. C.; Romero-Romero, E.; Varner, R. L.; White, B. R.; Wilkerson, J. F.; Yu, C-H.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Barabash, A. S.; Konovalov, S. I.; Yumatov, V.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Brudanin, V.; Shirchenko, M.; Vasilyev, S.; Yakushev, E.] Joint Inst Nucl Res, Dubna, Russia. [Busch, M.; Kidd, M. F.] Duke Univ, Dept Phys, Durham, NC 27706 USA. [Busch, M.; Giovanetti, G. K.; Howe, M. A.; MacMullin, J.; Meijer, S. J.; O'Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J. E.; Vorren, K.; Wilkerson, J. F.] Triangle Univ Nucl Lab, Durham, NC 27706 USA. [Byram, D.; Jasinski, B. R.; Martin, R. D.; Snyder, N.] Univ S Dakota, Dept Phys, Vermillion, SD 57069 USA. [Caldwell, A. S.; Christofferson, C. D.; Howard, S.; Surianol, A. M.] South Dakota Sch Mines & Technol, Rapid City, SD USA. [Efremenko, Yu.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Ejiri, H.] Osaka Univ, Res Ctr Nucl Phys, Ibaraki, Osaka, Japan. [Ejiri, H.] Osaka Univ, Dept Phys, Ibaraki, Osaka, Japan. [Elliott, S. R.; Goett, J.; Rielage, K.; Ronquest, M. C.; Xu, W.] Los Alamos Natl Lab, Los Alamos, NM USA. [Howe, M. A.; MacMullin, J.; O'Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J. E.; Vorren, K.; Wilkerson, J. F.] Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC USA. [Hoppe, E. W.; Kouzes, R. T.; LaFerriere, B. D.; Orrell, J. L.; Overman, N. R.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Keeter, K. J.] Black Hills State Univ, Dept Phys, Spearfish, SD 57799 USA. [Kidd, M. F.] Tennessee Technol Univ, Cookeville, TN USA. [Vetter, K.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Guinn, I (reprint author), Univ Washington, Ctr Expt Nucl Phys & Astrophys, Seattle, WA 98195 USA. EM iguinn@uw.edu RI Barabash, Alexander/S-8851-2016; OI Rielage, Keith/0000-0002-7392-7152; Cuesta, Clara/0000-0003-1190-7233 NR 6 TC 0 Z9 0 U1 2 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 606 AR 012009 DI 10.1088/1742-6596/606/1/012009 PG 5 WC Physics, Multidisciplinary SC Physics GA BC7AI UT WOS:000354705800009 ER PT S AU Mertens, S Abgrall, N Avignone, FT Barabash, AS Bertrand, FE Brudanin, V Busch, M Buuck, M Byram, D Caldwell, AS Chan, YD Christofferson, CD Cuesta, C Detwiler, JA Efremenko, Y Ejiri, H Elliott, SR Galindo-Uribarri, A Giovanetti, GK Goett, J Green, MP Gruszko, J Guinn, I Guiseppe, VE Henning, R Hoppe, EW Howard, S Howe, MA Jasinski, BR Keeter, KJ Kidd, MF Konovalov, SI Kouzes, RT LaFerriere, BD Leon, J MacMullin, J Martin, RD Meijer, SJ Orrell, JL O'Shaughnessy, C Overman, NR Poon, AWP Radford, DC Rager, J Rielage, K Robertson, RGH Romero-Romero, E Ronquest, MC Shanks, B Shirchenko, M Snyder, N Suriano, AM Tedeschi, D Trimble, JE Varner, RL Vasilyev, S Vetter, K Vorren, K White, BR Wilkerson, JF Wiseman, C Xu, W Yakushev, E Yu, CH Yumatov, V AF Mertens, S. Abgrall, N. Avignone, F. T., III Barabash, A. S. Bertrand, F. E. Brudanin, V. Busch, M. Buuck, M. Byram, D. Caldwell, A. S. Chan, Y-D. Christofferson, C. D. Cuesta, C. Detwiler, J. A. Efremenko, Yu. Ejiri, H. Elliott, S. R. Galindo-Uribarri, A. Giovanetti, G. K. Goett, J. Green, M. P. Gruszko, J. Guinn, I. Guiseppe, V. E. Henning, R. Hoppe, E. W. Howard, S. Howe, M. A. Jasinski, B. R. Keeter, K. J. Kidd, M. F. Konovalov, S. I. Kouzes, R. T. LaFerriere, B. D. Leon, J. MacMullin, J. Martin, R. D. Meijer, S. J. Orrell, J. L. O'Shaughnessy, C. Overman, N. R. Poon, A. W. P. Radford, D. C. Rager, J. Rielage, K. Robertson, R. G. H. Romero-Romero, E. Ronquest, M. C. Shanks, B. Shirchenko, M. Snyder, N. Suriano, A. M. Tedeschi, D. Trimble, J. E. Varner, R. L. Vasilyev, S. Vetter, K. Vorren, K. White, B. R. Wilkerson, J. F. Wiseman, C. Xu, W. Yakushev, E. Yu, C-H. Yumatov, V. CA MAJORANA Collaboration GP IOP TI MAJORANA Collaboration's Experience with Germanium Detectors SO 2ND WORKSHOP ON GERMANIUM DETECTORS AND TECHNOLOGIES SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 2nd Workshop on Germanium Detectors and Technologies CY SEP 14-17, 2014 CL Univ S Dakota, South Dakota, SD SP Natl Sci Fdn, S Dakota Governers Off Econ Dev, S Dakota Board Regents, S Dakota Small Business Innovat Res, Vermillion Area Chamber Commerce & Dev Co, Skysprings Nano Mat Inc HO Univ S Dakota ID DECAY AB The goal of the Majorana Demonstrator project is to search for 0v beta beta decay in Ge-76. Of all candidate isotopes for 0v beta beta, Ge-76 has some of the most favorable characteristics. Germanium detectors are a well established technology, and in searches for 0v beta beta, the high purity germanium crystal acts simultaneously as source and detector. Furthermore, p-type germanium detectors provide excellent energy resolution and a specially designed point contact geometry allows for sensitive pulse shape discrimination. This paper will summarize the experiences the MAJORANA collaboration made with enriched germanium detectors manufactured by ORTEC (R)(R). The process from production, to characterization and integration in MAJORANA mounting structure will be described. A summary of the performance of all enriched germanium detectors will be given. C1 [Mertens, S.; Abgrall, N.; Chan, Y-D.; Poon, A. W. P.; Vetter, K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Avignone, F. T., III; Guiseppe, V. E.; Tedeschi, D.; Wiseman, C.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Avignone, F. T., III; Bertrand, F. E.; Galindo-Uribarri, A.; Green, M. P.; Radford, D. C.; Varner, R. L.; White, B. R.; Wilkerson, J. F.; Yu, C-H.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Barabash, A. S.; Giovanetti, G. K.; Konovalov, S. I.; Yumatov, V.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Brudanin, V.; Shirchenko, M.; Vasilyev, S.; Yakushev, E.] Joint Inst Nucl Res, Dubna, Russia. [Busch, M.] Duke Univ, Dept Phys, Durham, NC 27706 USA. [Busch, M.; Giovanetti, G. K.; Henning, R.; Howe, M. A.; MacMullin, J.; Meijer, S. J.; O'Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J. E.; Vorren, K.; Wilkerson, J. F.] Triangle Univ Nucl Lab, Durham, NC 27706 USA. [Buuck, M.; Cuesta, C.; Detwiler, J. A.; Gruszko, J.; Guinn, I.; Leon, J.; Robertson, R. G. H.] Univ Washington, Ctr Expt Nucl Phys & Astrophys, Seattle, WA 98195 USA. [Buuck, M.; Cuesta, C.; Detwiler, J. A.; Gruszko, J.; Guinn, I.; Leon, J.; Robertson, R. G. H.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Byram, D.; Jasinski, B. R.; Martin, R. D.; Snyder, N.] Univ S Dakota, Dept Phys, Vermillion, SD 57069 USA. [Christofferson, C. D.; Howard, S.; Suriano, A. M.] South Dakota Sch Mines & Technol, Rapid City, SD USA. [Efremenko, Yu.; Romero-Romero, E.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Ejiri, H.] Osaka Univ, Nucl Phys Res Ctr, Ibaraki, Osaka, Japan. [Ejiri, H.] Osaka Univ, Dept Phys, Ibaraki, Osaka, Japan. [Elliott, S. R.; Goett, J.; Rielage, K.; Ronquest, M. C.; Xu, W.] Los Alamos Natl Lab, Los Alamos, NM USA. [Henning, R.; Howe, M. A.; MacMullin, J.; Meijer, S. J.; O'Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J. E.; Vorren, K.; Wilkerson, J. F.] Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC USA. [Hoppe, E. W.; Kouzes, R. T.; LaFerriere, B. D.; Orrell, J. L.; Overman, N. R.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Keeter, K. J.] Black Hills State Univ, Dept Phys, Spearfish, SD 57799 USA. [Kidd, M. F.] Tennessee Technol Univ, Cookeville, TN USA. [Vetter, K.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Mertens, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM smertens@lbl.gov RI Barabash, Alexander/S-8851-2016; OI Rielage, Keith/0000-0002-7392-7152; Cuesta, Clara/0000-0003-1190-7233 NR 11 TC 1 Z9 1 U1 3 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 606 AR 012005 DI 10.1088/1742-6596/606/1/012005 PG 11 WC Physics, Multidisciplinary SC Physics GA BC7AI UT WOS:000354705800005 ER PT S AU Stave, S AF Stave, S. GP IOP TI Germanium Detectors in Homeland Security at PNNL SO 2ND WORKSHOP ON GERMANIUM DETECTORS AND TECHNOLOGIES SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 2nd Workshop on Germanium Detectors and Technologies CY SEP 14-17, 2014 CL Univ S Dakota, South Dakota, SD SP Natl Sci Fdn, S Dakota Governers Off Econ Dev, S Dakota Board Regents, S Dakota Small Business Innovat Res, Vermillion Area Chamber Commerce & Dev Co, Skysprings Nano Mat Inc HO Univ S Dakota AB Neutron and gamma-ray detection is used for non-proliferation and national security applications. While lower energy resolution detectors such as NaI(Tl) have their place, high purity germanium (HPGe) also has a role to play. A detection with HPGe is often a characterization due to the very high energy resolution. However, HPGe crystals remain small and expensive leaving arrays of smaller crystals as an excellent solution. PNNL has developed two similar HPGe arrays for two very different applications. One array, the Multisensor Aerial Radiation Survey (MARS) detector is a fieldable array that has been tested on trucks, boats, and helicopters. The CASCADES HPGe array is an array designed to assay samples in a low background environment. The history of HPGe arrays at PNNL and the development of MARS and CASCADES will be detailed in this paper along with some of the other applications of HPGe at PNNL. C1 [Stave, S.] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Stave, S (reprint author), 902 Battelle Blvd,POB 999,MSIN J4-65, Richland, WA 99352 USA. EM Sean.Stave@pnnl.gov NR 7 TC 0 Z9 0 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 606 AR 012018 DI 10.1088/1742-6596/606/1/012018 PG 7 WC Physics, Multidisciplinary SC Physics GA BC7AI UT WOS:000354705800018 ER PT S AU Xu, W Abgra, N Avignone, FT Barabash, AS Bertrand, FE Brudanin, V Busch, M Buuck, M Byrami, D Caldwe, AS Chan, YD Christofferson, CD Cuesta, C Detwiler, JA Efremenko, Y Ejiri, H Elliott, SR Galindo-Uribarri, A Giovanetti, GK Goett, J Green, MP Gruszko, J Guinn, I Guiseppe, VE Henning, R Hoppe, EW Howard, S Howe, MA Jasinski, BR Keeter, KJ Kidd, MF Konovalov, SI Kouzes, RT LaFerriere, BD Leon, J MacMullin, J Martin, RD Meijer, SJ Mertens, S Orrell, JL O'Shaughnessy, C Overman, NR Poon, AWP Radford, DC Rager, J Rielage, K Robertson, RGH Romero-Romero, E Ronquest, MC Shanks, B Shirchenko, M Snyderm, N Suriano, AM Tedeschi, D Trimble, JE Varner, RL Vasilyev, S Vetter, K Vorren, K White, BR Wilkerson, JF Wiseman, C Yakushev, E Yu, CH Yumatov, V AF Xu, W. Abgra, N. Avignone, F. T., III Barabash, A. S. Bertrand, F. E. Brudanin, V. Busch, M. Buuck, M. Byrami, D. Caldwe, A. S. Chan, Y-D. Christofferson, C. D. Cuesta, C. Detwiler, J. A. Efremenko, Yu. Ejiri, H. Elliott, S. R. Galindo-Uribarri, A. Giovanetti, G. K. Goett, J. Green, M. P. Gruszko, J. Guinn, I. Guiseppe, V. E. Henning, R. Hoppe, E. W. Howard, S. Howe, M. A. Jasinski, B. R. Keeter, K. J. Kidd, M. F. Konovalov, S. I. Kouzes, R. T. LaFerriere, B. D. Leon, J. MacMullin, J. Martin, R. D. Meijer, S. J. Mertens, S. Orrell, J. L. O'Shaughnessy, C. Overman, N. R. Poon, A. W. P. Radford, D. C. Rager, J. Rielage, K. Robertson, R. G. H. Romero-Romero, E. Ronquest, M. C. Shanks, B. Shirchenko, M. Snyderm, N. Suriano, A. M. Tedeschi, D. Trimble, J. E. Varner, R. L. Vasilyev, S. Vetter, K. Vorren, K. White, B. R. Wilkerson, J. F. Wiseman, C. Yakushev, E. Yu, C-H. Yumatov, V. CA MAJORANA Collaboration GP IOP TI The MAJORANA DEMONSTRATOR: A Search for Neutrino less Double-beta Decay of Ge-76 SO 2ND WORKSHOP ON GERMANIUM DETECTORS AND TECHNOLOGIES SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 2nd Workshop on Germanium Detectors and Technologies CY SEP 14-17, 2014 CL Univ S Dakota, South Dakota, SD SP Natl Sci Fdn, S Dakota Governers Off Econ Dev, S Dakota Board Regents, S Dakota Small Business Innovat Res, Vermillion Area Chamber Commerce & Dev Co, Skysprings Nano Mat Inc HO Univ S Dakota ID DETECTOR AB Neutrino less double-beta (Ov beta beta) decay is a hypothesized process where in some even-even nuclei it might be possible for two neutrons to simultaneously decay into two protons and two electrons without emitting neutrinos. This is possible only if neutrinos are Majorana particles, i.e. fermions that are their own antiparticles. Neutrinos being Majorana particles would explicitly violate lepton number conservation, and might play a role in the matter-antimatter asymmetry in the universe. The observation of neutrinoless double-beta decay would also provide complementary information related to neutrino masses. The MAJORANA Collaboration is constructing the MAJORANA DEMONSTRATOR, with a total of 40-kg Germanium detectors, to search for the Ov beta beta decay of Ge-76 and to demonstrate a background rate at or below 3 counts/ (ROI.t.y) in the 4 keV region of interest (ROT) around the 2039 keV Q-value for Ge-76 Ov beta beta decay. In this paper, we discuss the physics of neutrinoless double beta decay and then focus on the MAJORANA DEMONSTRATOR, including its design and approach to achieve ultra-low backgrounds and the status of the experiment. C1 [Xu, W.; Elliott, S. R.; Goett, J.; Rielage, K.; Ronquest, M. C.] Los Alamos Natl Lab, Los Alamos, NM USA. [Abgra, N.; Chan, Y-D.; Mertens, S.; Vetter, K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Avignone, F. T., III; Guiseppe, V. E.; Tedeschi, D.; Wiseman, C.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Avignone, F. T., III; Bertrand, F. E.; Galindo-Uribarri, A.; Green, M. P.; Radford, D. C.; Romero-Romero, E.; Varner, R. L.; White, B. R.; Wilkerson, J. F.; Yu, C-H.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Barabash, A. S.; Konovalov, S. I.; Yumatov, V.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Brudanin, V.; Shirchenko, M.; Vasilyev, S.; Yakushev, E.] Joint Inst Nucl Res, Dubna, Russia. [Busch, M.] Duke Univ, Dept Phys, Durham, NC 27706 USA. [Busch, M.; Giovanetti, G. K.; Henning, R.; Howe, M. A.; MacMullin, J.; Meijer, S. J.; O'Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J. E.; Vorren, K.; Wilkerson, J. F.] Triangle Univ Nucl Lab, Durham, NC 27706 USA. [Buuck, M.; Cuesta, C.; Detwiler, J. A.; Gruszko, J.; Guinn, I.; Leon, J.; Robertson, R. G. H.] Univ Washington, Ctr Expt Nucl Phys & Astrophys, Seattle, WA 98195 USA. [Buuck, M.; Cuesta, C.; Detwiler, J. A.; Gruszko, J.; Guinn, I.; Leon, J.; Robertson, R. G. H.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Byrami, D.; Jasinski, B. R.; Martin, R. D.; Snyderm, N.] Univ S Dakota, Dept Phys, Vermillion, SD 57069 USA. [Caldwe, A. S.; Christofferson, C. D.; Howard, S.; Suriano, A. M.] South Dakota Sch Mines & Technol, Rapid City, SD USA. [Efremenko, Yu.; Romero-Romero, E.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Ejiri, H.] Osaka Univ, Res Ctr Nucl Phys, Ibaraki, Osaka, Japan. [Ejiri, H.] Osaka Univ, Dept Phys, Ibaraki, Osaka, Japan. [Henning, R.; MacMullin, J.; Meijer, S. J.; O'Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J. E.; Vorren, K.; Wilkerson, J. F.] Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC USA. [Hoppe, E. W.; Kouzes, R. T.; LaFerriere, B. D.; Orrell, J. L.; Overman, N. R.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Keeter, K. J.] Black Hills State Univ, Dept Phys, Spearfish, SD 57799 USA. [Kidd, M. F.] Tennessee Technol Univ, Cookeville, TN USA. [Giovanetti, G. K.; Henning, R.; Howe, M. A.; MacMullin, J.; Meijer, S. J.; O'Shaughnessy, C.; Rager, J.; Vetter, K.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Xu, W (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM wxu@lanl.gov RI Cuesta, Clara/L-5466-2014 OI Cuesta, Clara/0000-0003-1190-7233 NR 20 TC 3 Z9 3 U1 2 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 606 AR UNSP 012004 DI 10.1088/1742-6596/606/1/012004 PG 9 WC Physics, Multidisciplinary SC Physics GA BC7AI UT WOS:000354705800004 ER PT S AU Mitra, I Mahadevapuram, N Strzalka, J Stein, GE AF Mitra, Indranil Mahadevapuram, Nikhila Strzalka, Joseph Stein, Gila E. BE Resnick, DJ Bencher, C TI Tilting of Lamellar Domains on Neutral Random Copolymer Brushes SO ALTERNATIVE LITHOGRAPHIC TECHNOLOGIES VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Alternative Lithographic Technologies VII CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE block copolymer; domain orientation; self-assembly; poly(styrene-b-methyl methacrylate); grazing incidence small-angle X-ray scattering; preferential substrate; defects; lithography ID BLOCK-COPOLYMERS; THIN-FILMS; LITHOGRAPHY; PATTERNS; SURFACE AB Thin films of lamellar poly(styrene-b-methyl methacrylate) (PS-PMMA) block copolymers were prepared on brushed silicon substrates with a range of thicknesses. The brushes are expected to eliminate preferential interactions at the substrate, thereby enabling perpendicular domain orientations relative to the interfaces. Using a combination of surface microscopy and grazing incidence small-angle X-ray scattering, we demonstrate that i) the brushed substrates are weakly preferential to PMMA; and ii) the average lamellar domain orientation is perpendicular to the substrate, but some domains are mis-oriented by up to 40 degrees. We propose that PMMA domains deform to increase their contact area at the slightly preferential substrate, and this behavior drives the formation of out-of-plane defects such as bent or tilted domains. These outcomes suggest that depth-resolved measurements are needed to fully optimize materials and processes for block copolymer lithography. C1 [Mitra, Indranil; Mahadevapuram, Nikhila; Stein, Gila E.] Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. [Strzalka, Joseph] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Mitra, I (reprint author), Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. EM gestein@central.uh.edu RI Stein, Gila/P-1927-2016 OI Stein, Gila/0000-0002-3973-4496 NR 14 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-525-4 J9 PROC SPIE PY 2015 VL 9423 AR 942320 DI 10.1117/12.2085676 PG 6 WC Optics; Physics, Applied; Imaging Science & Photographic Technology SC Optics; Physics; Imaging Science & Photographic Technology GA BC6NR UT WOS:000354204900052 ER PT J AU Kirchner, TB Strickhouser, RB Hatab, NA Charlton, JJ Kravchenko, II Lavrik, NV Sepaniak, MJ AF Kirchner, Teresa B. Strickhouser, Rachel B. Hatab, Nahla A. Charlton, Jennifer J. Kravchenko, Ivan I. Lavrik, Nickolay V. Sepaniak, Michael J. TI Nanoscale pillar arrays for separations SO ANALYST LA English DT Article ID THIN-LAYER-CHROMATOGRAPHY; STATIONARY PHASES; SURFACES AB The work presented herein evaluates silicon nano-pillar arrays for use in planar chromatography. Electron beam lithography and metal thermal dewetting protocols were used to create nano-thin layer chromatography platforms. With these fabrication methods we are able to reduce the size of the characteristic features in a separation medium below that used in ultra-thin layer chromatography; i.e. pillar heights are 1-2 mu m and pillar diameters are typically in the 200-400 nm range. In addition to the intrinsic nanoscale aspects of the systems, it is shown they can be further functionalized with nanoporous layers and traditional stationary phases for chromatography; hence exhibit broad-ranging lab-ona- chip and point-of-care potential. Because of an inherent high permeability and very small effective mass transfer distance between pillars, chromatographic efficiency can be very high but is enhanced herein by stacking during development and focusing while drying, yielding plate heights in the nm range separated band volumes. Practical separations of fluorescent dyes, fluorescently derivatized amines, and anti-tumor drugs are illustrated. C1 [Kirchner, Teresa B.; Strickhouser, Rachel B.; Hatab, Nahla A.; Charlton, Jennifer J.; Sepaniak, Michael J.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Charlton, Jennifer J.] Analyt Chem Org, Y Natl Secur Complex 12, Oak Ridge, TN 37830 USA. [Kravchenko, Ivan I.; Lavrik, Nickolay V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. RP Sepaniak, MJ (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM sepaniak@ion.chem.utk.edu RI Kravchenko, Ivan/K-3022-2015; Lavrik, Nickolay/B-5268-2011 OI Kravchenko, Ivan/0000-0003-4999-5822; Lavrik, Nickolay/0000-0002-9543-5634 FU National Science Foundation [1144947]; University of Tennessee, Knoxville; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This material is based upon work supported by the National Science Foundation under grant no. 1144947 with the University of Tennessee, Knoxville. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 28 TC 4 Z9 4 U1 0 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 EI 1364-5528 J9 ANALYST JI Analyst PY 2015 VL 140 IS 10 BP 3347 EP 3351 DI 10.1039/c4an02187h PG 5 WC Chemistry, Analytical SC Chemistry GA CH7CF UT WOS:000354192500006 PM 25857214 ER PT J AU Motkuri, RK Thallapally, PK Annapureddy, HVR Dang, LX Krishna, R Nune, SK Fernandez, CA Liu, J McGrail, BP AF Motkuri, Radha Kishan Thallapally, Praveen K. Annapureddy, Harsha V. R. Dang, Liem X. Krishna, Rajamani Nune, Satish K. Fernandez, Carlos A. Liu, Jian McGrail, B. Peter TI Separation of polar compounds using a flexible metal-organic framework SO CHEMICAL COMMUNICATIONS LA English DT Article ID GAS-CHROMATOGRAPHIC SEPARATION; PORE-SIZE; ADSORPTION; ALCOHOLS; WATER; ISOMERS; MOFS; MIL-101; STORAGE; LIGAND AB A flexible metal-organic framework constructed from a flexible linker is shown to possess the capability of separating mixtures of polar compounds (propanol isomers) by exploiting the differences in the saturation capacities of the constituents. Transient breakthrough simulations show that these sorption-based separations are in favor of the component with higher saturation capacity. C1 [Motkuri, Radha Kishan; Nune, Satish K.; Fernandez, Carlos A.; Liu, Jian; McGrail, B. Peter] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Thallapally, Praveen K.; Annapureddy, Harsha V. R.; Dang, Liem X.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Krishna, Rajamani] Univ Amsterdam, von t Hoff Inst Mol Sci, NL-1012 WX Amsterdam, Netherlands. RP Motkuri, RK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM radhakishan.motkuri@pnnl.gov; praveen.thallapally@pnnl.gov; r.krishna@contact.uva.nl RI Krishna, Rajamani/A-1098-2012; Motkuri, Radha/F-1041-2014; Liu, Jian/C-4707-2011; Liu, Jian/D-3393-2009 OI Thallapally, Praveen Kumar/0000-0001-7814-4467; Krishna, Rajamani/0000-0002-4784-8530; Motkuri, Radha/0000-0002-2079-4798; Liu, Jian/0000-0001-5329-7408; Liu, Jian/0000-0001-5329-7408 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; U.S. Department of Energy [DE-AC05-76RL01830] FX This work was performed at the Pacific Northwest National Laboratory (PNNL) and was supported by the U.S. Department of Energy (DOE). L.X.D. acknowledges funding from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. NR 39 TC 11 Z9 11 U1 7 U2 48 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 40 BP 8421 EP 8424 DI 10.1039/c5cc00113g PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CH4ZL UT WOS:000354043200005 PM 25728866 ER PT J AU Wu, LC Nielsen, MB Bremholm, M Madsen, SR Overgaard, J Newville, M Chen, YS Iversen, BB AF Wu, Lai-Chin Nielsen, Morten Bormann Bremholm, Martin Madsen, Solveig Rogild Overgaard, Jacob Newville, Matt Chen, Yu-Sheng Iversen, Bo Brummerstedt TI High pressure induced charge transfer in 3d-4f bimetallic photomagnetic materials SO CHEMICAL COMMUNICATIONS LA English DT Article ID X-RAY-ABSORPTION; PRUSSIAN BLUE ANALOGS; DIAMOND-ANVIL CELL; PHOTOINDUCED FERRIMAGNETIC SYSTEMS; FINE-STRUCTURE SPECTROSCOPY; FE K-EDGE; SINGLE-CRYSTAL; NONHYDROSTATIC PRESSURE; LINKAGE ISOMERISM; ALKALI CATION AB Pressure-induced crystal color change of photo-magnetic materials [Ln(DMF)(4)(H2O)(3)(mu-CN)M(CN)(5)]center dot H2O, Ln = Y, M = Fe (1), Ln = Y, M = Co (2), Ln = Nd, M = Fe (3) (DMF = N,N-dimethyl formamide) are investigated using variable pressure X-ray Absorption Near-Edge Structure (XANES) spectroscopy and X-ray diffraction. For 1 the effect is caused by ligand-to-metal charge transfer (LMCT) on the iron site. C1 [Wu, Lai-Chin; Nielsen, Morten Bormann; Bremholm, Martin; Madsen, Solveig Rogild; Overgaard, Jacob; Iversen, Bo Brummerstedt] Univ Aarhus, Ctr Mat Crystallog, Dept Chem, DK-8000 Aarhus C, Denmark. [Wu, Lai-Chin; Nielsen, Morten Bormann; Bremholm, Martin; Madsen, Solveig Rogild; Overgaard, Jacob; Iversen, Bo Brummerstedt] Univ Aarhus, iNANO, DK-8000 Aarhus C, Denmark. [Newville, Matt] Univ Chicago, GSECARS Beam Line, Adv Photon Source, Argonne, IL 60439 USA. [Chen, Yu-Sheng] Univ Chicago, ChemMatCARS Beam Line, Adv Photon Source, Argonne, IL 60439 USA. RP Iversen, BB (reprint author), Univ Aarhus, Ctr Mat Crystallog, Dept Chem, DK-8000 Aarhus C, Denmark. EM bo@chem.au.dk OI Overgaard, Jacob/0000-0001-6492-7962 FU Danish National Research Foundation [DNRF93]; National Science Foundation [EAR-1128799]; Department of Energy (DOE) [DE-FG02-94ER14466]; DOE [DE-AC02-06CH11357] FX The work was supported by the Danish National Research Foundation (DNRF93). Portions of this work were performed at GSECARS (Sector 13), APS, ANL, which is supported by the National Science Foundation (EAR-1128799) and Department of Energy (DOE) (DE-FG02-94ER14466). Use of the APS was supported by the DOE under Contract No. DE-AC02-06CH11357. NR 45 TC 1 Z9 1 U1 8 U2 50 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 42 BP 8868 EP 8871 DI 10.1039/c5cc00603a PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CI1CG UT WOS:000354477600034 PM 25925160 ER PT J AU Zhang, PF Qiao, ZA Dai, S AF Zhang, Pengfei Qiao, Zhen-An Dai, Sheng TI Recent advances in carbon nanospheres: synthetic routes and applications SO CHEMICAL COMMUNICATIONS LA English DT Article ID NITROGEN-DOPED CARBON; CHEMICAL-VAPOR-DEPOSITION; OXYGEN REDUCTION REACTION; RESORCINOL-FORMALDEHYDE RESIN; CAPACITIVE ENERGY-STORAGE; MESOPOROUS CARBON; HYDROTHERMAL CARBONIZATION; POROUS CARBON; STOBER METHOD; HOLLOW SPHERES AB Carbon-based materials are the most popular material types in both fundamental research and industrial applications, partly because of their well-controlled nano-morphologies. In the past two decades, we have witnessed a number of breakthroughs in carbon research: fullerenes, carbon nanotubes, and more recently graphene. Nowadays, carbon nanospheres are attracting more and more attention worldwide due to their excellent performance in various fields: drug delivery, heterogeneous catalysis, encapsulation of support and electrode materials. Actually, spherical carbon is an old material, whereas controlling carbon spheres in the nanometer range is a recent story. In the past 5 years, it has become possible to precisely control the particle size, surface area, pore size, chemical composition, and dispersity of carbon nanospheres. Toward this end, a number of synthetic strategies are emerging, such as hydrothermal carbonization of biomass-based resources, extended Stober synthesis, and organic-organic self-assembly via different binding methods. In this feature article, we summarize recent routes for carbon nanospheres and briefly touch on their applications to shed light on the potential of this field. Throughout this article, a special emphasis is placed on the possible modulation of spherical structures at the nanoscale, and we wish to inspire many more designs and applications of carbon nanostructures in the near future. C1 [Zhang, Pengfei; Qiao, Zhen-An; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA. EM dais@ornl.gov RI Dai, Sheng/K-8411-2015; Zhang, Pengfei/I-5484-2013; OI Dai, Sheng/0000-0002-8046-3931; Qiao, Zhen-An/0000-0001-6064-9360 FU Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences FX P. F. Zhang and S. Dai. were supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 135 TC 30 Z9 30 U1 41 U2 256 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 45 BP 9246 EP 9256 DI 10.1039/c5cc01759a PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA CI8CZ UT WOS:000354997400001 PM 25871563 ER PT J AU Thomas, AW Catania, C Garner, LE Bazan, GC AF Thomas, A. W. Catania, C. Garner, L. E. Bazan, G. C. TI Pendant ionic groups of conjugated oligoelectrolytes govern their ability to intercalate into microbial membranes SO CHEMICAL COMMUNICATIONS LA English DT Article ID ELECTRON-TRANSFER; FUEL-CELLS; SHEWANELLA-ONEIDENSIS; BILAYER-MEMBRANES; ESCHERICHIA-COLI; GENERATION; OLIGOTHIOPHENES; ASSIGNMENT; MOLECULES; OLIGOMERS AB Conjugated oligoelectrolytes (COEs) bearing pyridinium and carboxylate groups are synthesized, characterized, and compared to the trimethylammonium analogue from which they are derived. All COEs are able to spontaneously intercalate into liposomes, whereas only positively charged COEs intercalate into E. coli membranes. Membrane intercalation is determined necessary for performance enhancement in microbial fuel cells. C1 [Thomas, A. W.; Bazan, G. C.] Univ Calif Santa Barbara, Ctr Polymers & Organ Solids, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. [Catania, C.; Bazan, G. C.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Garner, L. E.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Bazan, GC (reprint author), Univ Calif Santa Barbara, Ctr Polymers & Organ Solids, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. EM bazan@chem.ucsb.edu RI Bazan, Guillermo/B-7625-2014 FU Institute for Collaborative Biotechnologies through grant from the U.S. Army Research Office [W911NF-09-0001] FX This work was supported by the Institute for Collaborative Biotechnologies through grant W911NF-09-0001 from the U.S. Army Research Office. NR 38 TC 6 Z9 6 U1 4 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2015 VL 51 IS 45 BP 9294 EP 9297 DI 10.1039/c5cc01724f PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CI8CZ UT WOS:000354997400012 PM 25960368 ER PT J AU Lee, M Shin, SM Jeong, N Thallapally, PK AF Lee, Misun Shin, Sung Min Jeong, Nakcheol Thallapally, Praveen K. TI Chiral environment of catalytic sites in the chiral metal-organic frameworks SO DALTON TRANSACTIONS LA English DT Article ID HETEROGENEOUS ASYMMETRIC CATALYSIS; LEWIS ACID; CYCLIZATION; MOFS AB Chiral metal-organic frameworks are considered a useful platform in heterogeneous catalysis for enantioselective chemical transformations. However, it has been observed that the enantioselectivity is sensitive to the site at which the reaction takes place, even in a single crystal, since the chiral environment of the catalytic site varies according to its location, e. g., that of the surface is anisotropic, whereas that of the interior is isotropic. C1 [Lee, Misun; Shin, Sung Min; Jeong, Nakcheol] Korea Univ, Dept Chem, Seoul 136701, South Korea. [Thallapally, Praveen K.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Jeong, N (reprint author), Korea Univ, Dept Chem, Seoul 136701, South Korea. EM njeong@korea.ac.kr; Praveen.thallapally@pnnl.gov OI Thallapally, Praveen Kumar/0000-0001-7814-4467 FU National Research Foundation of Korea (NRF) grant - Korea government (MSIP) [2011-0016303, 2009-0053318]; MEST; POSTECH FX This work was supported by a National Research Foundation of Korea (NRF) grant (2011-0016303 and 2009-0053318) funded by the Korea government (MSIP). Experiments at PAL (beamline 2D) were supported in part by MEST and POSTECH. NR 18 TC 5 Z9 5 U1 3 U2 23 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 2015 VL 44 IS 20 BP 9349 EP 9352 DI 10.1039/c5dt01322d PG 4 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CI8DS UT WOS:000354999800001 PM 25912165 ER PT J AU Naguib, M Unocic, RR Armstrong, BL Nanda, J AF Naguib, Michael Unocic, Raymond R. Armstrong, Beth L. Nanda, Jagjit TI Large-scale delamination of multi-layers transition metal carbides and carbonitrides "MXenes" SO DALTON TRANSACTIONS LA English DT Article ID 2-DIMENSIONAL TITANIUM CARBIDE; HIGH VOLUMETRIC CAPACITANCE; LITHIUM-ION BATTERIES; TI3C2X2 X; EXFOLIATION; NANOSHEETS; LI; INTERCALATION; GRAPHENE; FILMS AB Herein we report on a general approach to delaminate multilayered MXenes using an organic base to induce swelling that in turn weakens the bonds between the MX layers. Simple agitation or mild sonication of the swollen MXene in water resulted in the large-scale delamination of the MXene layers. The delamination method is demonstrated for vanadium carbide and titanium carbonitride MXenes. C1 [Naguib, Michael; Armstrong, Beth L.; Nanda, Jagjit] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Unocic, Raymond R.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Naguib, M (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM naguibma@ornl.gov RI Armstrong, Beth/E-6752-2017; OI Armstrong, Beth/0000-0001-7149-3576; Unocic, Raymond/0000-0002-1777-8228; Naguib, Michael/0000-0002-4952-9023 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory FX This work 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. Microscopy conducted as part of a user proposal at ORNL's Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility. NR 37 TC 22 Z9 22 U1 35 U2 191 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 2015 VL 44 IS 20 BP 9353 EP 9358 DI 10.1039/c5dt01247c PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CI8DS UT WOS:000354999800005 PM 25912071 ER PT S AU Bhattarai, S Neureuther, AR Naulleau, PP AF Bhattarai, Suchit Neureuther, Andrew R. Naulleau, Patrick P. BE Wood, OR Panning, EM TI Simulation Study of the Influence of PEB Reaction Rates on Resist LER SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE Chemically amplified resist; LER; Stochastic Models; Reaction/Diffusion Systems AB A stochastic resist simulator has first been calibrated to experimental results performed on a commercially available EUV resist, and subsequently has been used to study the influence of acid/base quenching rate and the polymer deprotection rate on resist LER for 22 nm half-pitch lines/spaces. Results indicate that larger quenching rates and smaller deprotection rates result in improved LER performance by causing an increase in the dose to size. With nominal quenching rate determined from literature, halving the deprotection rate relative to nominal value reduces the LER by 33%, while the dose to size increases by 2x. With nominal deprotection rate determined from literature, results indicate a low sensitivity of LER to quenching rate. Expected noise at the line edge calculated by using a shot noise model accounting for absorbed photons, acid, and base count, provides a good explanation for the LER trends calculated for several reaction rate scenarios. C1 [Bhattarai, Suchit; Neureuther, Andrew R.] Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA. [Bhattarai, Suchit; Neureuther, Andrew R.; Naulleau, Patrick P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Bhattarai, S (reprint author), Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 AR 94222I DI 10.1117/12.2087566 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900080 ER PT S AU Bhattarai, S Chao, WL Aloni, S Neureuther, AR Naulleau, PP AF Bhattarai, Suchit Chao, Weilun Aloni, Shaul Neureuther, Andrew R. Naulleau, Patrick P. BE Wood, OR Panning, EM TI Analysis of Shot Noise Limitations due to Absorption Count in EUV Resists SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE 100 keV e-beam; EUV; chemically amplified resist; shot noise; LER; Electron energy loss spectroscopy (EELS); exposure latitude ID ELECTRON-BEAM LITHOGRAPHY AB Both fundamental measurements of resist exposure events and measurements of line-edge roughness for similar exposure latitude images for e-beam and EUV patterning tools have been used to assess the relative role of exposure shot-noise in lithographic performance. Electron energy loss spectroscopy (EELS) has been performed to quantify the probability of absorption of 100 keV electrons in two commercially available EUV resists. About 1/3 of the incident electrons lose at least 2 eV in the materials and this absorption probability is larger than that for EUV photons in the two modern EUV resists. Exposure event count densities between EUV and e-beam differ by 11-13%, which results in an expected difference in the variation in exposure shot noise of only 6%. With matched image exposure latitudes and accounting for EUV mask LER contribution the measured LER distributions indicate a high (76% and 94%) confidence that EUV resist performance is currently not dominated by exposure event counts for two leading chemically amplified EUV resists. C1 [Bhattarai, Suchit; Neureuther, Andrew R.] Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA. [Bhattarai, Suchit; Chao, Weilun; Neureuther, Andrew R.; Naulleau, Patrick P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Aloni, Shaul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Bhattarai, S (reprint author), Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA. NR 8 TC 1 Z9 1 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 AR 942209 DI 10.1117/12.2087303 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900006 ER PT S AU Claus, RA Wang, YG Wojdyla, A Benk, MP Goldberg, KA Neureuther, AR Naulleau, PP Waller, L AF Claus, Rene A. Wang, Yow-Gwo Wojdyla, Antoine Benk, Markus P. Goldberg, Kenneth A. Neureuther, Andrew R. Naulleau, Patrick P. Waller, Laura BE Wood, OR Panning, EM TI Phase measurements of EUV mask defects SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE Extreme Ultraviolet Lithography; Multi layer Defect; Phase Defect; Quantitative Phase Imaging; Weak Object Transfer Function AB Extreme Ultraviolet (EUV) Lithography mask defects were examined on the actinic mask imaging system, SHARP, at Lawrence Berkeley National Laboratory. A quantitative phase retrieval algorithm based on the Weak Object Transfer Function was applied to the measured through-focus aerial images to examine the amplitude and phase of the defects. The accuracy of the algorithm was demonstrated by comparing the results of measurements using a phase contrast zone plate and a standard zone plate. Using partially coherent illumination to measure frequencies that would otherwise fall outside the numerical aperture (NA), it was shown that some defects are smaller than the conventional resolution of the microscope. Programmed defects of various sizes were measured and shown to have both an amplitude and a phase component that the algorithm is able to recover. C1 [Claus, Rene A.] Univ Calif Berkeley, Appl Sci & Technol, Berkeley, CA 94720 USA. [Wang, Yow-Gwo; Neureuther, Andrew R.; Waller, Laura] Univ Calif Berkeley, EECS, Berkeley, CA 94720 USA. [Wojdyla, Antoine; Benk, Markus P.; Goldberg, Kenneth A.; Naulleau, Patrick P.] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA USA. RP Claus, RA (reprint author), Univ Calif Berkeley, Appl Sci & Technol, Berkeley, CA 94720 USA. EM reneclaus@gmail.com NR 9 TC 0 Z9 0 U1 2 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 DI 10.1117/12.2087195 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900040 ER PT S AU Claus, RA Wojdyla, A Benk, MP Goldberg, KA Neureuther, AR Naulleau, PP Waller, L AF Claus, Rene A. Wojdyla, Antoine Benk, Markus P. Goldberg, Kenneth A. Neureuther, Andrew R. Naulleau, Patrick P. Waller, Laura BE Wood, OR Panning, EM TI Aberration estimation using EUV mask roughness SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE Extreme Ultraviolet Lithography; Mask Roughness; Aberration Recovery; Quantitative Phase Imaging AB We present a method to extract aberrations from through-focus aerial images of mask roughness on an Extreme Ultraviolet (EUV) lithography mask. The algorithm uses a phase recovery algorithm based on the Weak Object Transfer Function to recover the phase and amplitude of the roughness, while considering aberrations and partially coherent illumination. Using the self-consistency of the recovered object, aberrations, and measured images as a metric, we optimize over the space of aberrations to estimate aberrations. Partially coherent illumination is needed to allow the effects of the object field and aberrations to be separated. We apply the algorithm to the EUV aerial image microscope, SHARP, using a parameterized ray tracing model to calculate the aberrations from a lower dimensional parameter space. C1 [Claus, Rene A.] Univ Calif Berkeley, Appl Sci & Technol, Berkeley, CA 94720 USA. [Wojdyla, Antoine; Benk, Markus P.; Goldberg, Kenneth A.; Naulleau, Patrick P.] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA USA. [Neureuther, Andrew R.; Waller, Laura] Univ Calif Berkeley, EECS, Berkeley, CA 94720 USA. RP Claus, RA (reprint author), Univ Calif Berkeley, Appl Sci & Technol, Berkeley, CA 94720 USA. EM reneclaus@gmail.com NR 7 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 DI 10.1117/12.2087513 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900037 ER PT S AU Goldberg, KA Benk, MP Wojdyla, A Johnson, DG Donoghue, AP AF Goldberg, Kenneth A. Benk, Markus P. Wojdyla, Antoine Johnson, David G. Donoghue, Alexander P. BE Wood, OR Panning, EM TI New Ways of Looking at Masks with the SHARP EUV Microscope SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE EUV; mask; microscope; actinic; illumination; phase; resolution; zone plate ID DIFFERENTIAL PHASE-CONTRAST; HIGH-RESOLUTION; LED ARRAY; ILLUMINATION; ASYMMETRY AB Extreme ultraviolet (EUV) microscopy is invaluable for the development of EUV photomasks, providing detailed information for the creation of new mask processes, and reliable feedback for comparison with printing studies. The SHARP microscope at Lawrence Berkeley National Laboratory is dedicated to photomask research. It was developed with forward-looking specifications that make it well suited to the emulation of current EUV lithography tools and a variety of possible future directions. Some recent examples include (1) the demonstration of imaging with 4x numerical aperture values up to 0.625, measuring patterns with feature sizes down to 30-nm half-pitch, created with a tin-based photoresist serving as the absorber. (2) The emulation of complex, free-form illuminators used in source-mask optimization, including grayscale pupil fills. (3) Point by point phase measurement from aerial image measurements using several techniques. (4) Direct observation of non-telecentric, through-focus imaging effects that arise from the angular-dependence of the mask's multilayer coating properties. In addition, we are preparing to extend SHARP imaging to include anamorphic optics, an emerging area of EUV lithography research. C1 [Goldberg, Kenneth A.; Benk, Markus P.; Wojdyla, Antoine; Johnson, David G.; Donoghue, Alexander P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Goldberg, KA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM KAGoldberg@lbl.gov NR 39 TC 2 Z9 2 U1 1 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 AR 94221A DI 10.1117/12.2175553 PG 11 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900043 ER PT S AU Levinson, Z Raghunathan, S Verduijn, E Wood, O Mangat, P Goldberg, K Benk, M Wojdyla, A Philipsen, V Hendrickx, E Smith, BW AF Levinson, Zac Raghunathan, Sudhar Verduijn, Erik Wood, Obert Mangat, Pawitter Goldberg, Kenneth Benk, Markus Wojdyla, Antoine Philipsen, Vicky Hendrickx, Eric Smith, Bruce W. BE Wood, OR Panning, EM TI A Method of Image-Based Aberration Metrology for EUVL Tools SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE EUV lithography; EUV aberrations; EUV transmission function; aberration metrology; image-based aberration metrology; pupil characterization AB We present an approach to image-based EUV aberration metrology using binary mask targets and iterative model-based solutions to extract both the amplitude and phase components of the aberrated pupil function. The approach is enabled through previously developed modeling, fitting, and extraction algorithms. We examine the flexibility and criticality of the method using two experimental case studies. The first extracts the pupil phase behavior from an ASML NXE:3100 exposure system and shows primary aberration sensitivity below 0.2 m lambda. The second experiment extracts both components of the pupil function from the SHARP EUV microscope. C1 [Levinson, Zac; Smith, Bruce W.] Rochester Inst Technol, Rochester, NY 14623 USA. [Raghunathan, Sudhar; Verduijn, Erik; Wood, Obert; Mangat, Pawitter] GLOBALFOUNDRIES, Malta, NY 12020 USA. [Goldberg, Kenneth; Benk, Markus; Wojdyla, Antoine] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Philipsen, Vicky; Hendrickx, Eric] IMEC, B-3001 Heverlee, Belgium. RP Levinson, Z (reprint author), Rochester Inst Technol, 168 Lomb Mem Dr, Rochester, NY 14623 USA. NR 28 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 DI 10.1117/12.2087177 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900038 ER PT S AU Miyakawa, R Naulleau, P AF Miyakawa, Ryan Naulleau, Patrick BE Wood, OR Panning, EM TI Extending shearing interferometry to high- NA for EUV optical testing SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE optical testing; wavefront; aberration; in-situ; focus sensor AB Characterizing and removing optical aberrations remains a key part of achieving ultimate resolution in EUV exposure tools. Common-path approaches such as lateral shearing interferometry (LSI) have had success at moderate numerical apertures (NA approximate to 0.3); however, these techniques run into several obstacles when applied at higher NA (NA > 0.4). Chief among these obstacles are systematic aberrations due to high incident angles on the diffraction grating and non-planar Talbot surfaces that create regions of low fringe contrast across the pupil. In this paper, we present strategies for addressing these obstacles to extend LSI to high numerical apertures. These strategies will be employed in the installation and alignment of the 0.5-NA SEMATECH Berkeley Microfield Exposure Tool (MET5). C1 [Miyakawa, Ryan; Naulleau, Patrick] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Miyakawa, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM rhmiyakawa@lbl.gov NR 3 TC 2 Z9 2 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 AR 94221J DI 10.1117/12.2087568 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900052 ER PT S AU Narasimhan, A Grzeskowiak, S Srivats, B Herbol, H Wisehart, L Kelly, C Earley, W Ocola, LE Neisser, M Denbeaux, G Brainard, RL AF Narasimhan, Amrit Grzeskowiak, Steven Srivats, Bharath Herbol, Henry Wisehart, Liam Kelly, Chris Earley, William Ocola, Leonidas E. Neisser, Mark Denbeaux, Greg Brainard, Robert L. BE Wood, OR Panning, EM TI Studying Secondary Electron Behavior in EUV Resists using Experimentation and Modeling SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC AB EUV photons expose photoresists by complex interactions starting with photoionization that create primary electrons (similar to 80 eV), followed by ionization steps that create secondary electrons (10-60 eV). Ultimately, these lower energy electrons interact with specific molecules in the resist that cause the chemical reactions which are responsible for changes in solubility. The mechanisms by which these electrons interact with resist components are key to optimizing the performance of EUV resists. An electron exposure chamber was built to probe the behavior of electrons within photoresists. Upon exposure and development of a photoresist to an electron gun, ellipsometry was used to identify the dependence of electron penetration depth and number of reactions on dose and energy. Additionally, our group has updated a robust software that uses first-principles based Monte Carlo model called "LESiS", to track secondary electron production, penetration depth, and reaction mechanisms within materials-defined environments. LESiS was used to model the thickness loss experiments to validate its performance with respect to simulated electron penetration depths to inform future modeling work. C1 [Narasimhan, Amrit; Grzeskowiak, Steven; Srivats, Bharath; Herbol, Henry; Wisehart, Liam; Kelly, Chris; Earley, William; Denbeaux, Greg; Brainard, Robert L.] Coll Nanoscale Sci & Engn, Albany, NY 12203 USA. [Ocola, Leonidas E.] Argonne Natl Lab, Lemont, IL 60439 USA. [Neisser, Mark] SEMATECH, Albany, NY 12203 USA. RP Narasimhan, A (reprint author), Coll Nanoscale Sci & Engn, Albany, NY 12203 USA. OI Ocola, Leonidas/0000-0003-4990-1064 NR 16 TC 4 Z9 4 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 AR 942208 DI 10.1117/12.2086596 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900005 ER PT S AU Neisser, M Cummings, K Valente, S Montgomery, C Fan, YJ Matthews, K Chun, J Ashby, PD AF Neisser, Mark Cummings, Kevin Valente, Sean Montgomery, Cecilia Fan, Yu-Jen Matthews, Ken Chun, JunSung Ashby, Paul D. BE Wood, OR Panning, EM TI Novel Resist Approaches to Enable EUV Lithography in High Volume Manufacturing and Extensions to Future Nodes SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE Extreme Ultraviolet Lithography (EUVL); Photoresist; Metal Containing Resists; Resist Development; Resist Characterization; Pixelated Resist AB EUV lithography is needed by the semiconductor industry for both its resolution and for the process simplification it provides compared to multiple patterning. However it needs innovations to make it a success. One area where innovation is needed is resist performance. Resists that are commercially available for EUV use are typically based on conventional chemically amplified resist chemistry. So far, this has not provided the required performance at fast enough photo speed. Many innovative resist systems have been introduced in the last few years that have novel mechanisms and/or incorporate novel chemical elements with high EUV absorbance. These new systems are promising enough for EUV use that work on many of them now needs to shift to characterizing their functional parameters and optimizing their performance. For the future, new systems beyond these will have to focus on reducing the inherent noise in resist imaging. The concept of pixelated resists is introduced and it is suggested pixelated resists are one possible avenue for imaging sub 10nm features with sufficient feature size and profile control. C1 [Neisser, Mark; Cummings, Kevin; Valente, Sean; Montgomery, Cecilia; Fan, Yu-Jen; Matthews, Ken] SEMATECH, Albany, NY 12203 USA. [Chun, JunSung] CNSE SUNY, Albany Nanotech, Albany, NY 12203 USA. [Ashby, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Neisser, M (reprint author), SEMATECH, 257 Fuller Rd,Suite 2200, Albany, NY 12203 USA. EM mark.neisser@sematech.org NR 17 TC 3 Z9 3 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 AR 94220L DI 10.1117/12.2086307 PG 10 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900018 ER PT S AU Upadhyaya, M Jindal, V Basavalingappa, A Herbol, H Harris-Jones, J Jang, IY Goldberg, KA Mochi, I Marokkey, S Demmerle, W Pistor, TV Denbeaux, G AF Upadhyaya, Mihir Jindal, Vibhu Basavalingappa, Adarsh Herbol, Henry Harris-Jones, Jenah Jang, Il-Yong Goldberg, Kenneth A. Mochi, Iacopo Marokkey, Sajan Demmerle, Wolfgang Pistor, Thomas V. Denbeaux, Gregory BE Wood, OR Panning, EM TI Evaluating Printability of Buried Native EUV Mask Phase Defects through a Modeling and Simulation Approach SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC ID LOCALIZED DEFECTS AB The availability of defect-free masks is considered to be a critical issue for enabling extreme ultraviolet lithography (EUVL) as the next generation technology. Since completely defect-free masks will be hard to achieve, it is essential to have a good understanding of the printability of the native EUV mask defects. In this work, we performed a systematic study of native mask defects to understand the defect printability caused by them. The multilayer growth over native substrate mask blank defects was correlated to the multilayer growth over regular-shaped defects having similar profiles in terms of their width and height. To model the multilayer growth over the defects, a novel level-set multilayer growth model was used that took into account the tool deposition conditions of the Veeco Nexus ion beam deposition tool. The same tool was used for performing the actual deposition of the multilayer stack over the characterized native defects, thus ensuring a fair comparison between the actual multilayer growth over native defects, and modeled multilayer growth over regular-shaped defects. Further, the printability of the characterized native defects was studied with the SEMATECH-Berkeley Actinic Inspection Tool (AIT), an EUV mask-imaging microscope at Lawrence Berkeley National Laboratory (LBNL). Printability of the modeled regular-shaped defects, which were propagated up the multilayer stack using level-set growth model was studied using defect printability simulations implementing the waveguide algorithm. Good comparison was observed between AIT and the simulation results, thus demonstrating that multilayer growth over a defect is primarily a function of a defect's width and height, irrespective of its shape. This would allow us to predict printability of the arbitrarily-shaped native EUV mask defects in a systematic and robust manner. C1 [Upadhyaya, Mihir; Basavalingappa, Adarsh; Herbol, Henry; Denbeaux, Gregory] SUNY Albany, Coll Nanoscale Sci & Engn, Albany, NY 12203 USA. [Jindal, Vibhu] SEMATECH, Albany, NY 12203 USA. [Harris-Jones, Jenah] Global Foundries, Malta, NY 12020 USA. [Jang, Il-Yong] Samsung Elect Co, Suwon 443742, Gyeonggi Do, South Korea. [Goldberg, Kenneth A.; Mochi, Iacopo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Marokkey, Sajan; Demmerle, Wolfgang] Synopsys, Mountain View, CA 94043 USA. [Pistor, Thomas V.] Panoram Technol Inc, Burlingame, CA 94010 USA. RP Upadhyaya, M (reprint author), SUNY Albany, Coll Nanoscale Sci & Engn, 225 Fuller Rd, Albany, NY 12203 USA. NR 32 TC 2 Z9 2 U1 1 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 AR 94220Q DI 10.1117/12.2175842 PG 14 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900023 ER PT S AU Wang, YG Miyakawa, R Chao, WL Benk, M Wojdyla, A Donoghue, A Johnson, D Goldberg, K Neureuther, A Liang, T Naulleau, P AF Wang, Yow-Gwo Miyakawa, Ryan Chao, Weilun Benk, Markus Wojdyla, Antoine Donoghue, Alex Johnson, David Goldberg, Kenneth Neureuther, Andy Liang, Ted Naulleau, Patrick BE Wood, OR Panning, EM TI Enhancing defect detection with Zernike phase contrast in EUV multilayer blank inspection SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE EUV Mask; Zernike Phase Contrast Microscope; Phase Defect; Mask Inspection; Zoneplate AB In this paper, we present an experimental verification of Zernike phase contrast enhanced EUV multilayer (ML) blank defect detection using the SHARP EUV microscope. A programmed defect as small as 0.35 nm in height is detected at focus with signal to noise ratio (SNR) up to 8. Also, a direct comparison of the through-focus image behavior between bright field and Zernike phase contrast for ML defects ranging from 40 nm to 75 nm in width on the substrate is presented. Results show the advantages of using the Zernike phase contrast method even for defects with both phase and absorption components including a native defect. The impact of pupil apodization combined with Zernike phase contrast is also demonstrated, showing improved SNR is due to the stronger reduction of roughness dependent noise than defect signal, confirming our previous simulation results. Finally we directly compare Zernike phase contrast, dark field and bright field microscopes. C1 [Wang, Yow-Gwo; Miyakawa, Ryan; Chao, Weilun; Benk, Markus; Wojdyla, Antoine; Donoghue, Alex; Johnson, David; Goldberg, Kenneth; Neureuther, Andy; Liang, Ted; Naulleau, Patrick] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Wang, Yow-Gwo; Neureuther, Andy] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Liang, Ted] Intel Corp, Santa Clara, CA 95054 USA. RP Wang, YG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. NR 6 TC 4 Z9 4 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 AR 94221C DI 10.1117/12.2087532 PG 10 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900045 ER PT S AU Yan, PY Zhang, GJ Gullikson, EM Goldberg, KA Benk, MP AF Yan, Pei-yang Zhang, Guojing Gullikson, Eric M. Goldberg, Kenneth A. Benk, Markus P. BE Wood, OR Panning, EM TI Understanding EUV mask blank surface roughness induced LWR and associated roughness requirement SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VI CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, DNS Elect LLC DE Extreme ultraviolet lithography; mask; surface roughness; ML; EUVL; line width roughness; LWR ID LINE-EDGE ROUGHNESS AB Extreme ultraviolet lithography (EUVL) mask multi-layer (ML) blank surface roughness specification historically comes from blank defect inspection tool requirement. Later, new concerns on ML surface roughness induced wafer pattern line width roughness (LWR) arise. In this paper, we have studied wafer level pattern LWR as a function of EUVL mask surface roughness via High-NA Actinic Reticle Review Tool. We found that the blank surface roughness induced LWR at current blank roughness level is in the order of 0.5nm 3 sigma for NA=0.42 at the best focus. At defocus of +/- 40nm, the corresponding LWR will be 0.2nm higher. Further reducing EUVL mask blank surface roughness will increase the blank cost with limited benefit in improving the pattern LWR, provided that the intrinsic resist LWR is in the order of 1nm and above. C1 [Yan, Pei-yang; Zhang, Guojing] Intel Corp, Santa Clara, CA 95054 USA. [Gullikson, Eric M.; Goldberg, Kenneth A.; Benk, Markus P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Yan, PY (reprint author), Intel Corp, 2200 Mission Coll Blvd, Santa Clara, CA 95054 USA. NR 10 TC 3 Z9 3 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-524-7 J9 PROC SPIE PY 2015 VL 9422 AR 94220J DI 10.1117/12.2087041 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA BC6YJ UT WOS:000354599900016 ER PT S AU Prall, M Lang, PM LaTessa, C Mariam, F Merrill, F Shestov, L Simoniello, P Varentsov, D Durante, M AF Prall, M. Lang, P. M. LaTessa, C. Mariam, F. Merrill, F. Shestov, L. Simoniello, P. Varentsov, D. Durante, M. GP IOP TI Towards Proton Therapy and Radiography at FAIR SO FAIRNESS 2014: FAIR NEXT GENERATION SCIENTISTS 2014 SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 3rd Workshop on FAIRNESS - FAIR Next Generation ScientistS CY SEP 22-27, 2014 CL Vietri sul Mare, ITALY AB Protons having energies in the GeV range have been proposed as an alternative to Bragg-peak hadron therapy. This strategy reduces lateral scattering and overcomes uncertainties of particle range and relative biological effectiveness. GeV protons could additionally be used for targeting in image guided stereotactic radiosurgery. We experimentally demonstrated the potential of GeV protons for imaging of biological samples using E=0.8 GeV protons and the pRad setup at Los Alamos National Laboratory (LANL). In this setup, a system of magnetic lenses creates a point-to-point mapping from object to detector. This mapping compensates image blur due to lateral scattering inside the imaged (biological) object. We produced 2-dim proton radiographs of biological samples, an anthropomorphic phantom and performed simple dosimetry. High resolution tomographic reconstructions were derived from the 2-dim proton radiographs. Our experiment was performed within the framework of the PANTERA (Proton Therapy and Radiography) project. In the future, the proton microscope PRIOR (Proton Microscope for FAIR) located in the FAIR facility (Darmstadt), will focus on optimizing the technique for imaging of lesions implanted in animals and couple the irradiation with standard radiotherapy. C1 [Prall, M.; Lang, P. M.; LaTessa, C.; Shestov, L.; Simoniello, P.; Varentsov, D.; Durante, M.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany. [Lang, P. M.] Tech Univ Darmstadt, D-64289 Darmstadt, Germany. [Mariam, F.; Merrill, F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Prall, M (reprint author), GSI Helmholtzzentrum Schwerionenforsch GmbH, Planckstr 1, D-64291 Darmstadt, Germany. EM m.prall@gsi.de OI Simoniello, Palma/0000-0003-2888-2642; Durante, Marco/0000-0002-4615-553X NR 17 TC 2 Z9 2 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 599 AR 012041 DI 10.1088/1742-6596/599/1/012041 PG 5 WC Physics, Multidisciplinary SC Physics GA BC6WS UT WOS:000354542400041 ER PT S AU Steinheimer, J Koch, V Randrup, J Bleicher, M AF Steinheimer, J. Koch, V. Randrup, J. Bleicher, M. GP IOP TI Spinodal density enhancements in nuclear collisions at the CBM experiment SO FAIRNESS 2014: FAIR NEXT GENERATION SCIENTISTS 2014 SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 3rd Workshop on FAIRNESS - FAIR Next Generation ScientistS CY SEP 22-27, 2014 CL Vietri sul Mare, ITALY ID HEAVY-ION COLLISIONS; MODEL AB We discuss a novel approach to describe the evolution of a fireball, created in a high-energy nuclear collision, experiencing spinodal instabilities due to the first-order deconfinement phase transition of quantum chromo dynamics (QCD). We show that initial density fluctuations in these collisions are enhanced in the mechanically unstable region of the QCD phase diagram. In our study we find that the most favorable energy range for observing these density enhancements is at the lower end of the SIS100 accelerator at FAIR, currently under construction. Furthermore we discuss how one can distinguish and constrain different types of QCD phase transitions, one of hadron-quark type and one of liquid-gas type, leading to strong differences in the dynamical evolution of the QCD medium. C1 [Steinheimer, J.; Bleicher, M.] Frankfurt Inst Adv Studies, Frankfurt, Germany. [Koch, V.; Randrup, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Bleicher, M.] Goethe Univ Frankfurt, Inst Theoret Phys, D-60054 Frankfurt, Germany. RP Steinheimer, J (reprint author), Frankfurt Inst Adv Studies, Ruth Moufang Str 1, Frankfurt, Germany. EM steinheimer@fias.uni-frankfurt.de NR 26 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2015 VL 599 AR 012014 DI 10.1088/1742-6596/599/1/012014 PG 5 WC Physics, Multidisciplinary SC Physics GA BC6WS UT WOS:000354542400014 ER PT J AU Miller, JM Jones, PT Li, JM Onar, OC AF Miller, John M. Jones, P. T. Li, Jan-Mou Onar, Omer C. TI ORNL Experience and Challenges Facing Dynamic Wireless Power Charging of EV's SO IEEE CIRCUITS AND SYSTEMS MAGAZINE LA English DT Article AB As visionary as dynamic, or in-motion, wireless charging of electric vehicles appears the concept is well over a century old as this paper will show. This is because the concept of magnetic induction dates back to the pioneering work of physicist Michael Faraday in the early 19th century. Today wireless power transfer (WPT) is being standardized for stationary and quasi-stationary charging of electric vehicles (EV). The Society of Automotive Engineers (SAE) has undertaken the standardization of stationary charging and will make this public during 2016. In addition to this the IEEE-SA (Standards Activities) initiated standards development for EV's in their EVWPT working group in 2012. This paper introduces the many challenges facing EVWPT in not only high power transfer to a moving vehicle and energy management at a utility scale, but communications in a vehicle to infrastructure (V2I) environment and management of high data rates, ultra-low latency, and dealing with communications loss in dense urban areas. Future concepts such as guideway powering of EV's are presented to illustrate one technical trajectory EVWPT may take. C1 [Jones, P. T.; Li, Jan-Mou] Natl Transportat Res Ctr, Ctr Transportat Anal, Energy & Transportat Sci Div, Knoxville, TN 37932 USA. [Onar, Omer C.] Natl Transportat Res Ctr, Power Elect & Elect Machinery Grp, Elect & Elect Syst Div, Oak Ridge Natl Lab, Knoxville, TN 37932 USA. RP Miller, JM (reprint author), JNJ Miller Design Serv PLLC, Longview, TX 75601 USA. OI Li, Jan-Mou/0000-0002-7099-4042 FU U.S. Department of Energy [DE-AC05-00OR22725] FX The authors thank Oak Ridge National Laboratory Center for Transportation Analysis, and the Power Electronics and Electric Machinery Group, of the Energy and Transportation Science Division for support of the in-motion wireless power transfer technology development and demonstration. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. NR 30 TC 11 Z9 11 U1 1 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1531-636X EI 1558-0830 J9 IEEE CIRC SYST MAG JI IEEE Circuits Syst. Mag. PY 2015 VL 15 IS 2 BP 40 EP 53 DI 10.1109/MCAS.2015.2419012 PG 14 WC Engineering, Electrical & Electronic SC Engineering GA CI6GY UT WOS:000354858000005 ER PT S AU Anderson, AS Mukundan, H McInroy, RE Clegg, SM AF Anderson, Aaron S. Mukundan, Harshini McInroy, Rhonda E. Clegg, Samuel M. BE Farkas, DL Nicolau, DV Nicolau, RC TI Combined LIBS-Raman for Remote Detection and Characterization of Biological Samples SO IMAGING, MANIPULATION, AND ANALYSIS OF BIOMOLECULES, CELLS, AND TISSUES XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Imaging, Manipulation, and Analysis of Biomolecules, Cells, and Tissues XIII CY FEB 09-11, 2015 CL San Francisco, CA SP SPIE DE LIBS; Raman; biological; remote sensing; amino acids; proteins ID INDUCED BREAKDOWN SPECTROSCOPY; CHEMCAM INSTRUMENT SUITE; UNIT AB Laser-Induced Breakdown Spectroscopy (LIBS) and Raman Spectroscopy have rich histories in the analysis of a wide variety of samples in both in situ and remote configurations. Our team is working on building a deployable, integrated Raman and LIBS spectrometer (RLS) for the parallel elucidation of elemental and molecular signatures under Earth and Martian surface conditions. Herein, results from remote LIBS and Raman analysis of biological samples such as amino acids, small peptides, mono-and disaccharides, and nucleic acids acquired under terrestrial and Mars conditions are reported, giving rise to some interesting differences. A library of spectra and peaks of interest were compiled, and will be used to inform the analysis of more complex systems, such as large peptides, dried bacterial spores, and biofilms. These results will be presented and future applications will be discussed, including the assembly of a combined RLS spectroscopic system and stand-off detection in a variety of environments. C1 [Anderson, Aaron S.; Mukundan, Harshini; McInroy, Rhonda E.; Clegg, Samuel M.] Los Alamos Natl Lab, Phys Chem & Appl Spect, Los Alamos, NM 87545 USA. RP Anderson, AS (reprint author), Los Alamos Natl Lab, Phys Chem & Appl Spect, Los Alamos, NM 87545 USA. OI Clegg, Sam/0000-0002-0338-0948 NR 18 TC 0 Z9 0 U1 1 U2 18 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-418-9 J9 PROC SPIE PY 2015 VL 9328 AR 932811 DI 10.1117/12.2076832 PG 6 WC Cell & Tissue Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Cell Biology; Optics; Radiology, Nuclear Medicine & Medical Imaging GA BC6MB UT WOS:000354105000024 ER PT J AU Liu, YN Jimenez, E Hussaini, MY Okten, G Goodrick, S AF Liu, Yaning Jimenez, Edwin Hussaini, M. Yousuff Oekten, Giray Goodrick, Scott TI Parametric uncertainty quantification in the Rothermel model with randomised quasi-Monte Carlo methods SO INTERNATIONAL JOURNAL OF WILDLAND FIRE LA English DT Article DE chaparral fuel model; fire propagation; global sensitivity analysis; variance reduction ID GLOBAL SENSITIVITY INDEXES; DERIVATIVES AB Rothermel's wildland surface fire model is a popular model used in wildland fire management. The original model has a large number of parameters, making uncertainty quantification challenging. In this paper, we use variance-based global sensitivity analysis to reduce the number of model parameters, and apply randomised quasi-Monte Carlo methods to quantify parametric uncertainties for the reduced model. The Monte Carlo estimator used in these calculations is based on a control variate approach applied to the sensitivity derivative enhanced sampling. The chaparral fuel model, selected from Rothermel's 11 original fuel models, is studied as an example. We obtain numerical results that improve the crude Monte Carlo sampling by factors as high as three orders of magnitude. C1 [Liu, Yaning; Hussaini, M. Yousuff; Oekten, Giray] Florida State Univ, Dept Math, Tallahassee, FL 32306 USA. [Jimenez, Edwin] CALTECH, Dept Comp & Math Sci, Pasadena, CA 91125 USA. [Goodrick, Scott] US Forest Serv, USDA, Ctr Forest Disturbance Sci, Athens, GA 30602 USA. RP Liu, YN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM yaningliu@lbl.gov RI Liu, Yaning/K-8547-2014 NR 35 TC 5 Z9 5 U1 1 U2 1 PU CSIRO PUBLISHING PI CLAYTON PA UNIPARK, BLDG 1, LEVEL 1, 195 WELLINGTON RD, LOCKED BAG 10, CLAYTON, VIC 3168, AUSTRALIA SN 1049-8001 EI 1448-5516 J9 INT J WILDLAND FIRE JI Int. J. Wildland Fire PY 2015 VL 24 IS 3 BP 307 EP 316 DI 10.1071/WF13097 PG 10 WC Forestry SC Forestry GA CI5OY UT WOS:000354808600003 ER PT J AU Aytug, T Lupini, AR Jellison, GE Joshi, PC Ivanov, IH Liu, T Wang, P Menon, R Trejo, RM Lara-Curzio, E Hunter, SR Simpson, JT Paranthaman, MP Christen, DK AF Aytug, Tolga Lupini, Andrew R. Jellison, Gerald E. Joshi, Pooran C. Ivanov, Ilia H. Liu, Tao Wang, Peng Menon, Rajesh Trejo, Rosa M. Lara-Curzio, Edgar Hunter, Scott R. Simpson, John T. Paranthaman, M. Parans Christen, David K. TI Monolithic graded-refractive-index glass-based antireflective coatings: broadband/omnidirectional light harvesting and self-cleaning characteristics SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID SPECTROSCOPIC ELLIPSOMETRY; SOLAR-CELLS; BROAD-BAND; SURFACES; REFLECTION; DESIGN; LAYERS; MICRO; LASER; POWER AB A revolutionary impact on the performance of many optical systems and components can come from the integrative design of multifunctional coatings. Such coatings should be mechanically robust, and combine user-defined optical and wetting functions with scalable fabrication formulations. By taking cues from the properties of some natural biological structures, we report here the formation of low-refractive index antireflective glass films that embody omni-directional optical properties over a wide range of wavelengths, while also possessing specific wetting capabilities. The coatings comprise an interconnected network of nanoscale pores surrounded by a nanostructured silica framework. These structures result from a novel fabrication method that utilizes metastable spinodal phase separation in glass-based materials. The approach not only enables design of surface microstructures with graded-index antireflection characteristics, where the surface reflection is suppressed through optical impedance matching between interfaces, but also facilitates self-cleaning ability through modification of the surface chemistry. Based on near complete elimination of Fresnel reflections (yielding 495% transmission through a single-side coated glass) and corresponding increase in broadband transmission, the fabricated nanostructured surfaces are found to promote a general and an invaluable similar to 3-7% relative increase in current output of multiple direct/indirect bandgap photovoltaic cells. Moreover, these antireflective surfaces also demonstrate superior resistance against mechanical wear and abrasion. Unlike conventional counterparts, the present antireflective coatings are essentially monolithic, enabling simultaneous realization of graded index anti-reflectivity, self-cleaning capability, and mechanical stability within the same surface. The concept represents a fundamental basis for development of advanced coated optical quality products, especially where environmental exposure is required. C1 [Aytug, Tolga; Lupini, Andrew R.; Jellison, Gerald E.; Joshi, Pooran C.; Ivanov, Ilia H.; Liu, Tao; Trejo, Rosa M.; Lara-Curzio, Edgar; Hunter, Scott R.; Simpson, John T.; Paranthaman, M. Parans; Christen, David K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Wang, Peng; Menon, Rajesh] Univ Utah, Dept Elect & Comp Engn, Salt Lake City, UT 84112 USA. RP Aytug, T (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM aytugt@ornl.gov RI Paranthaman, Mariappan/N-3866-2015; OI Paranthaman, Mariappan/0000-0003-3009-8531; ivanov, ilia/0000-0002-6726-2502 FU Laboratory Directed Tip Innovation Program of Oak Ridge National Laboratory; U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division; Oak Ridge National Laboratory by the U.S. DOE Office of Energy Efficiency and Renewable Energy; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of BES, U.S. DOE; DOE [EE0005959] FX This work was supported by the Laboratory Directed Tip Innovation Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC for the U.S. Department of Energy. STEM research was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division. Mechanical Property research conducted at High Temperature Material Laboratory, which is sponsored at Oak Ridge National Laboratory by the U.S. DOE Office of Energy Efficiency and Renewable Energy. A portion of this research was conducted at the Center for Nanophase Materials Sciences (CNMS) which is a DOE Office of Science User Facility. Other portions of this research were conducted at the Shared Research Equipment (SHaRE) user facility, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of BES, U.S. DOE. Photovoltaic device measurements conducted at the University of Utah were supported by a DOE Bridge award no. EE0005959. NR 47 TC 14 Z9 14 U1 4 U2 35 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 2015 VL 3 IS 21 BP 5440 EP 5449 DI 10.1039/c5tc00499c PG 10 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CI7SV UT WOS:000354965900011 ER PT J AU Huo, NJ Wei, ZM Meng, XQ Kang, J Wu, FM Li, SS Wei, SH Li, JB AF Huo, Nengjie Wei, Zhongming Meng, Xiuqing Kang, Joongoo Wu, Fengmin Li, Shu-Shen Wei, Su-Huai Li, Jingbo TI Interlayer coupling and optoelectronic properties of ultrathin two-dimensional heterostructures based on graphene, MoS2 and WS2 SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID TRANSITION-METAL DICHALCOGENIDES; SINGLE-LAYER; TRANSISTORS; ELECTRONICS; SHEETS; FILMS AB Unique optoelectronic properties and interlayer coupling are observed in the artificial two-dimensional (2D) heterostructures based on graphene, MoS2 and WS2 monolayers. In the graphene-WS2] heterostructures, substantial photoluminescence (PL) quenching and significant stiffening phonon modes emerge due to strong interlayer coupling. Such hybrid systems also exhibit gate-tunable current rectification behavior with a maximum rectification ratio of 103. In addition, the ambipolar properties originating from their constituents and enhanced photo-switching properties with a maximum on/off ratio of 10(3) were also observed. The MoS2-WS2 heterostructures exhibit light emission quenching of WS2 while unchanged emission of MoS2. Such a phenomenon is due to the weak interlayer coupling and inefficient charge transfer process. The enhanced optoelectronic performances suggest that the ultrathin 2D heterostructures have great potential in the future architectural design of novel optoelectronic devices. C1 [Huo, Nengjie; Wei, Zhongming; Li, Shu-Shen; Li, Jingbo] Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China. [Meng, Xiuqing; Wu, Fengmin] Zhejiang Normal Univ, Res Ctr Light Emitting Diodes LED, Jinhua 321004, Peoples R China. [Kang, Joongoo; Wei, Su-Huai] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Li, JB (reprint author), Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China. EM suhuai.wei@nrel.gov; jbli@semi.ac.cn FU National Natural Science Foundation of China [91233120]; National Basic Research Program of China [2011CB921901]; U.S. Department of Energy [DE-AC36-08GO28308] FX This work was supported by the National Natural Science Foundation of China under Grant No. 91233120 and the National Basic Research Program of China (2011CB921901). The work of S.-H. W is supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308. NR 38 TC 14 Z9 14 U1 16 U2 94 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 2015 VL 3 IS 21 BP 5467 EP 5473 DI 10.1039/c5tc00698h PG 7 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CI7SV UT WOS:000354965900014 ER PT S AU Alamudun, FT Yoon, HJ Hudson, K Morin-Ducotte, G Tourassi, G AF Alamudun, Folami T. Yoon, Hong-Jun Hudson, Kathy Morin-Ducotte, Garnetta Tourassi, Georgia BE MelloThoms, CR Kupinski, MA TI Fractal Analysis of Radiologists' Visual Scanning Pattern in Screening Mammography SO MEDICAL IMAGING 2015: IMAGE PERCEPTION, OBSERVER PERFORMANCE, AND TECHNOLOGY ASSESSMENT SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Image Perception, Observer Performance, and Technology Assessment CY FEB 25-26, 2015 CL Orlando, FL SP SPIE, Alpin Med Syst, Modus Med Devices Inc, Bruker, ALIO Ind DE visual perception; fractal analysis; mammography; gaze complexity; user modeling ID REPORTED CANCERS; BREAST CANCERS; PERCEPTION; DECISION; ERRORS AB Several researchers have investigated radiologists' visual scanning patterns with respect to features such as total time examining a case, time to initially hit true lesions, number of hits, etc. The purpose of this study was to examine the complexity of the radiologists' visual scanning pattern when viewing 4-view mammographic cases, as they typically do in clinical practice. Gaze data were collected from 10 readers (3 breast imaging experts and 7 radiology residents) while reviewing 100 screening mammograms (24 normal, 26 benign, 50 malignant). The radiologists' scanpaths across the 4 mammographic views were mapped to a single 2-D image plane. Then, fractal analysis was applied on the composite 4-view scanpaths. For each case, the complexity of each radiologist's scanpath was measured using fractal dimension estimated with the box counting method. The association between the fractal dimension of the radiologists' visual scanpath, case pathology, case density, and radiologist experience was evaluated using fixed effects ANOVA. ANOVA showed that the complexity of the radiologists' visual search pattern in screening mammography is dependent on case specific attributes (breast parenchyma density and case pathology) as well as on reader attributes, namely experience level. Visual scanning patterns are significantly different for benign and malignant cases than for normal cases. There is also substantial inter-observer variability which cannot be explained only by experience level. C1 [Alamudun, Folami T.] Texas A&M Univ, Dept Comp Sci & Engn, College Stn, TX 77843 USA. [Hudson, Kathy; Morin-Ducotte, Garnetta] Univ Tennessee, Med Ctr, Dept Radiol, Knoxville, TN 37920 USA. [Yoon, Hong-Jun; Tourassi, Georgia] Oak Ridge Natl Lab, Biomed Sci & Engn Ctr, Hlth Data Sci Inst, Oak Ridge, TN 37831 USA. RP Alamudun, FT (reprint author), Texas A&M Univ, Dept Comp Sci & Engn, College Stn, TX 77843 USA. OI Tourassi, Georgia/0000-0002-9418-9638; Alamudun, Folami/0000-0002-0803-4542 NR 25 TC 0 Z9 0 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-506-3 J9 PROC SPIE PY 2015 VL 9416 AR 94160T DI 10.1117/12.2082972 PG 8 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BC6OS UT WOS:000354266600025 ER PT S AU Yoon, HJ Carmichael, TR Tourassi, G AF Yoon, Hong-Jun Carmichael, Tandy R. Tourassi, Georgia BE MelloThoms, CR Kupinski, MA TI Temporal Stability of Visual Search-Driven Biometrics SO MEDICAL IMAGING 2015: IMAGE PERCEPTION, OBSERVER PERFORMANCE, AND TECHNOLOGY ASSESSMENT SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Image Perception, Observer Performance, and Technology Assessment CY FEB 25-26, 2015 CL Orlando, FL SP SPIE, Alpin Med Syst, Modus Med Devices Inc, Bruker, ALIO Ind DE eye tracking; perceptual organization; user modeling ID EYE-MOVEMENTS AB Previously, we have shown the potential of using an individual's visual search pattern as a possible biometric. That study focused on viewing images displaying dot-patterns with different spatial relationships to determine which pattern can be more effective in establishing the identity of an individual. In this follow-up study we investigated the temporal stability of this biometric. We performed an experiment with 16 individuals asked to search for a predetermined feature of a random-dot pattern as we tracked their eye movements. Each participant completed four testing sessions consisting of two dot patterns repeated twice. One dot pattern displayed concentric circles shifted to the left or right side of the screen overlaid with visual noise, and participants were asked which side the circles were centered on. The second dot-pattern displayed a number of circles (between 0 and 4) scattered on the screen overlaid with visual noise, and participants were asked how many circles they could identify. Each session contained 5 untracked tutorial questions and 50 tracked test questions (200 total tracked questions per participant). To create each participant's "fingerprint", we constructed a Hidden Markov Model (HMM) from the gaze data representing the underlying visual search and cognitive process. The accuracy of the derived HMM models was evaluated using cross-validation for various time-dependent train-test conditions. Subject identification accuracy ranged from 17.6% to 41.8% for all conditions, which is significantly higher than random guessing (1/16 = 6.25%). The results suggest that visual search pattern is a promising, temporally stable personalized fingerprint of perceptual organization. C1 [Yoon, Hong-Jun; Tourassi, Georgia] Oak Ridge Natl Lab, Biomed Sci & Engn Ctr, Hlth Data Sci Inst, Oak Ridge, TN 37831 USA. [Carmichael, Tandy R.] Tennessee Technol Univ, Dept Elect & Comp Engn, Cookeville, TN 38505 USA. RP Yoon, HJ (reprint author), Oak Ridge Natl Lab, Biomed Sci & Engn Ctr, Hlth Data Sci Inst, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. OI Tourassi, Georgia/0000-0002-9418-9638 NR 16 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-506-3 J9 PROC SPIE PY 2015 VL 9416 AR 94160U DI 10.1117/12.2082801 PG 7 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BC6OS UT WOS:000354266600026 ER PT S AU Doxastakis, M Suh, HS Chen, XX Delgadillo, PAR Wan, LS Williamson, L Jiang, Z Strzalka, J Wang, J Chen, W Ferrier, N Ramirez-Hernandez, A de Pablo, JJ Gronheid, R Nealey, P AF Doxastakis, Manolis Suh, Hyo Seon Chen, Xuanxuan Delgadillo, Paulina A. Rincon Wan, Lingshu Williamson, Lance Jiang, Zhang Strzalka, Joseph Wang, Jin Chen, Wei Ferrier, Nicola Ramirez-Hernandez, Abelardo de Pablo, Juan J. Gronheid, Roel Nealey, Paul BE Cain, JP Sanchez, MI TI Grazing-incidence small angle x-ray scattering studies of nanoscale polymer gratings SO METROLOGY, INSPECTION, AND PROCESS CONTROL FOR MICROLITHOGRAPHY XXIX SE Proceedings of SPIE LA English DT Proceedings Paper CT 29th Conference on Metrology, Inspection, and Process Control for Microlithography CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, NOVA Ltd DE GISAXS; Grazing-incidence x-ray scattering; Scattering simulation; Directed-Self Assembly; LiNe flow; Grating AB Grazing-Incidence Small Angle X-ray Scattering (GISAXS) offers the ability to probe large sample areas, providing three-dimensional structural information at high detail in a thin film geometry. In this study we exploit the application of GISAXS to structures formed at one step of the LiNe (Liu-Nealey) flow using chemical patterns for directed self-assembly of block copolyilier lilnis. Experiments coltducted at the Argoinie National Laboratory provided scattering patterns probing film characteristics at both parallel and normal directions to the surface. We demonstrate the application of new computational methods to construct models based on scattering measured. SUCh analysis allows for extraction of structural characteristics at unprecedented dett-til. C1 [Doxastakis, Manolis; Suh, Hyo Seon; Chen, Wei; Ramirez-Hernandez, Abelardo; de Pablo, Juan J.; Nealey, Paul] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Suh, Hyo Seon; Chen, Xuanxuan; Delgadillo, Paulina A. Rincon; Wan, Lingshu; Williamson, Lance; de Pablo, Juan J.; Nealey, Paul] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Ferrier, Nicola] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Delgadillo, Paulina A. Rincon; Gronheid, Roel] IMEC, B-3001 Leuven, Belgium. [Delgadillo, Paulina A. Rincon] Katholieke Univ Leuven, Dept Elect Engn, B-3001 Leuven, Belgium. [Jiang, Zhang; Strzalka, Joseph; Wang, Jin] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Doxastakis, M (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM edoxastakis@anl.gov; nealey@uchicago.edu RI Jiang, Zhang/A-3297-2012; Ramirez-Hernandez, Abelardo/A-1717-2011; Chen, Wei/G-6055-2011; OI Jiang, Zhang/0000-0003-3503-8909; Ramirez-Hernandez, Abelardo/0000-0002-3569-5223; Chen, Wei/0000-0001-8906-4278; Doxastakis, Manolis/0000-0002-9175-9906 NR 13 TC 3 Z9 3 U1 1 U2 9 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-526-1 J9 PROC SPIE PY 2015 VL 9424 AR 94241N DI 10.1117/12.2085824 PG 7 WC Optics; Physics, Applied; Imaging Science & Photographic Technology SC Optics; Physics; Imaging Science & Photographic Technology GA BC6OK UT WOS:000354250200056 ER PT S AU Hoogeboom-Pot, K Hernandez-Charpak, J Frazer, T Gu, XK Turgut, E Anderson, E Chao, WL Shaw, J Yang, RG Murnane, M Kapteyn, H Nardi, D AF Hoogeboom-Pot, Kathleen Hernandez-Charpak, Jorge Frazer, Travis Gu, Xiaokun Turgut, Emrah Anderson, Erik Chao, Weilun Shaw, Justin Yang, Ronggui Murnane, Margaret Kapteyn, Henry Nardi, Damiano BE Cain, JP Sanchez, MI TI Mechanical and thermal properties of nanomaterials at sub-50nm dimensions characterized using coherent EUV beams SO METROLOGY, INSPECTION, AND PROCESS CONTROL FOR MICROLITHOGRAPHY XXIX SE Proceedings of SPIE LA English DT Proceedings Paper CT 29th Conference on Metrology, Inspection, and Process Control for Microlithography CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, NOVA Ltd DE Ultrafast X-Rays; nanometrology; nano-mechanical properties; ultrathin films; nondiffusive thermal transport; mean free path spectroscopy; photoacoustic; photothermal ID FILMS; SCATTERING AB Coherent extreme ultraviolet beams from tabletop high harmonic generation offer several revolutionary capabilities for observing nanoscale systems on their intrinsic length and time scales. By launching and monitoring hypersonic acoustic waves in such systems, we characterize the mechanical properties of sub-10nm layers and find that the material densities remain close to their bulk values while their elastic properties are significantly modified. Moreover, within the same measurement, by following the heat dissipation dynamics from 30-750nm-wide nanowires, we uncover a new thermal transport regime in which closely-spaced nanoscale heat sources can surprisingly cool more efficiently than widely-spaced heat sources of the same size. C1 [Hoogeboom-Pot, Kathleen; Hernandez-Charpak, Jorge; Frazer, Travis; Turgut, Emrah; Murnane, Margaret; Kapteyn, Henry; Nardi, Damiano] Univ Colorado, JILA, Boulder, CO 80309 USA. [Hoogeboom-Pot, Kathleen; Hernandez-Charpak, Jorge; Frazer, Travis; Turgut, Emrah; Murnane, Margaret; Kapteyn, Henry; Nardi, Damiano] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Hoogeboom-Pot, Kathleen; Hernandez-Charpak, Jorge; Frazer, Travis; Turgut, Emrah; Murnane, Margaret; Kapteyn, Henry; Nardi, Damiano] NIST, Boulder, CO 80309 USA. [Gu, Xiaokun; Yang, Ronggui] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Anderson, Erik; Chao, Weilun] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Shaw, Justin] NIST, Electromagnet Div, Boulder, CO 80305 USA. RP Hoogeboom-Pot, K (reprint author), Univ Colorado, JILA, Boulder, CO 80309 USA. EM hoogeboo@jila.colorado.edu RI Yang, Ronggui/H-1278-2011; Gu, Xiaokun/H-4069-2011; Shaw, Justin/C-1845-2008 OI Gu, Xiaokun/0000-0003-3803-3951; Shaw, Justin/0000-0003-2027-1521 NR 28 TC 2 Z9 2 U1 1 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-526-1 J9 PROC SPIE PY 2015 VL 9424 AR 942417 DI 10.1117/12.2085615 PG 8 WC Optics; Physics, Applied; Imaging Science & Photographic Technology SC Optics; Physics; Imaging Science & Photographic Technology GA BC6OK UT WOS:000354250200040 ER PT S AU Segal-Peretz, T Winterstein, J Ren, JX Biswas, M Liddle, JA Elam, JW Ocola, LE Divan, RNS Zaluzec, N Nealey, PF AF Segal-Peretz, Tamar Winterstein, Jonathan Ren, Jiaxing Biswas, Mahua Liddle, J. Alexander Elam, Jeffrey W. Ocola, Leonidas E. Divan, Ralu N. S. Zaluzec, Nestor Nealey, Paul F. BE Cain, JP Sanchez, MI TI Metrology of DSA process using TEM tomography SO METROLOGY, INSPECTION, AND PROCESS CONTROL FOR MICROLITHOGRAPHY XXIX SE Proceedings of SPIE LA English DT Proceedings Paper CT 29th Conference on Metrology, Inspection, and Process Control for Microlithography CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, NOVA Ltd DE Block copolymers; self-assembly; DSA; TEM; STEM; tomography; 3D characterization; SIS ID BLOCK-COPOLYMERS AB Directed self-assembly (DSA) of block copolymers (BCPs) is a rising technique for sub-20 nm patterning. To fully harness DSA capabilities for patterning, a detailed understanding of the three dimensional (3D) structure of BCPs is needed. By combining sequential infiltration synthesis (SIS) and scanning transmission electron microscopy (STEM) tomography, we have characterized the 3D structure of self-assembled and DSA BCPs films with high precision and resolution. SIS is an emerging technique for enhancing pattern transfer in BCPs through the selective growth of inorganic material in polar BCP domains. Here, Al2O3 SIS was used to enhance the imaging contrast and enable tomographic characterization of BCPs with high fidelity. Moreover, by utilizing SIS for both 3D characterization and hard mask fabrication, we were able to characterize the BCP morphology as well as the alumina nanostructures that would be used for pattern transfer. C1 [Segal-Peretz, Tamar; Ren, Jiaxing; Nealey, Paul F.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Segal-Peretz, Tamar; Nealey, Paul F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Winterstein, Jonathan; Liddle, J. Alexander] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA. [Biswas, Mahua; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Ocola, Leonidas E.; Divan, Ralu N. S.; Zaluzec, Nestor] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Nealey, PF (reprint author), Univ Chicago, Inst Mol Engn, 5747 South Ellis Ave, Chicago, IL 60637 USA. EM nealey@uchicago.edu RI Liddle, James/A-4867-2013 OI Liddle, James/0000-0002-2508-7910 NR 9 TC 4 Z9 4 U1 2 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-526-1 J9 PROC SPIE PY 2015 VL 9424 AR 94240U DI 10.1117/12.2085577 PG 6 WC Optics; Physics, Applied; Imaging Science & Photographic Technology SC Optics; Physics; Imaging Science & Photographic Technology GA BC6OK UT WOS:000354250200029 ER PT B AU Gao, J Burchiel, SW AF Gao, Jun Burchiel, Scott W. BE Corsini, E VanLoveren, H TI Genotoxic Mechanisms of PAH-Induced Immunotoxicity SO MOLECULAR IMMUNOTOXICOLOGY LA English DT Article; Book Chapter ID POLYCYCLIC AROMATIC-HYDROCARBONS; MICROSOMAL EPOXIDE HYDROLASE; ENVIRONMENTAL CONTAMINANT BENZO(A)PYRENE; B CELL APOPTOSIS; HUMAN T-CELLS; DNA-DAMAGE; METABOLIC-ACTIVATION; HUMAN MACROPHAGES; INDUCIBLE CYTOCHROME-P450; ALPHA-NAPHTHOFLAVONE C1 [Gao, Jun] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Burchiel, Scott W.] Univ New Mexico, Dept Pharmaceut Sci, Coll Pharm, Albuquerque, NM 87131 USA. RP Gao, J (reprint author), Los Alamos Natl Lab, Biosci Div, TA43,Bldg01, Los Alamos, NM 87545 USA. NR 74 TC 0 Z9 0 U1 0 U2 2 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY BN 978-3-527-67696-5; 978-3-527-33519-0 PY 2015 BP 245 EP 261 PG 17 WC Toxicology SC Toxicology GA BC7MJ UT WOS:000354998200013 ER PT S AU Bross, A AF Bross, Alan CA nuSTORM Collaboration BE DaMotta, H Morfin, JG Sakuda, M TI nuSTORM: Neutrinos from STORed Muons SO NUINT12: 8TH INTERNATIONAL WORKSHOP ON NEUTRINO-NUCLEUS INTERACTIONS IN THE FEW-GEV REGION SE AIP Conference Proceedings LA English DT Proceedings Paper CT 8th International Workshop on Neutrino-Nucleus Interactions in the Few-GeV Region (NUINT12) CY OCT 22-27, 2012 CL Brazilian Ctr Phys Res, Rio de Janeiro, BRAZIL HO Brazilian Ctr Phys Res DE sterile neutrinos; neutrino interactions; muon decay ring ID TOOLKIT; SEESAW; GALLEX AB The results of LSND and MiniBooNE, along with the recent papers on a possible reactor neutrino flux anomaly, give tantalizing hints of new physics. Models beyond the nu SM have been developed to explain these results and involve one or more additional neutrinos that are non-interacting or "sterile." Neutrino beams produced from the decay of muons in a racetrack-like decay ring provide a powerful way to study this potential new physics. In this paper, I will describe the facility, nuSTORM, and an appropriate far detector for neutrino oscillation searches at short baseline. I will present sensitivity plots that indicated that this experimental approach can provide well over 5 sigma confirmation or rejection of the LSND/MinBooNE results. C1 [Bross, Alan; nuSTORM Collaboration] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Bross, A (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 29 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1308-5 J9 AIP CONF PROC PY 2015 VL 1663 AR 100003 DI 10.1063/1.4919501 PG 6 WC Physics, Applied; Physics, Particles & Fields SC Physics GA BC7KE UT WOS:000354963900040 ER PT S AU Mayer, N AF Mayer, Nathan BE DaMotta, H Morfin, JG Sakuda, M TI Comparisons of Neutrino Event Generators from an Oscillation-Experiment Perspective SO NUINT12: 8TH INTERNATIONAL WORKSHOP ON NEUTRINO-NUCLEUS INTERACTIONS IN THE FEW-GEV REGION SE AIP Conference Proceedings LA English DT Proceedings Paper CT 8th International Workshop on Neutrino-Nucleus Interactions in the Few-GeV Region (NUINT12) CY OCT 22-27, 2012 CL Brazilian Ctr Phys Res, Rio de Janeiro, BRAZIL HO Brazilian Ctr Phys Res DE neutrino-nucleus scattering; monte carlo generators; final state interactions ID MONTE-CARLO CALCULATIONS; INTRANUCLEAR CASCADES; ENERGY AB Monte Carlo generators are crucial to the analysis of high energy physics data, ideally giving a baseline comparison between the state-of-art theoretical models and experimental data. Presented here is a comparison between three of final state distributions from the GENIE, Neut, NUANCE, and NuWro neutrino Monte Carlo event generators. The final state distributions chosen for comparison are: the electromagnetic energy fraction in neutral current interactions, the energy of the leading pi(0) vs. the scattering angle for neutral current interactions, and the muon energy nu(mu) scattering angle of charged current interactions. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Mayer, N (reprint author), Fermilab Natl Accelerator Lab, POB 500 MS 220, Batavia, IL 60510 USA. EM nathan.mayer@tufts.edu NR 9 TC 0 Z9 0 U1 1 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1308-5 J9 AIP CONF PROC PY 2015 VL 1663 AR 030005 DI 10.1063/1.4919469 PG 5 WC Physics, Applied; Physics, Particles & Fields SC Physics GA BC7KE UT WOS:000354963900009 ER PT S AU Nakamura, SX Kamano, H Lee, TSH Sato, T AF Nakamura, S. X. Kamano, H. Lee, T. -S. H. Sato, T. BE DaMotta, H Morfin, JG Sakuda, M TI Neutrino-induced meson productions off nucleon at forward limit in nucleon resonance region SO NUINT12: 8TH INTERNATIONAL WORKSHOP ON NEUTRINO-NUCLEUS INTERACTIONS IN THE FEW-GEV REGION SE AIP Conference Proceedings LA English DT Proceedings Paper CT 8th International Workshop on Neutrino-Nucleus Interactions in the Few-GeV Region (NUINT12) CY OCT 22-27, 2012 CL Brazilian Ctr Phys Res, Rio de Janeiro, BRAZIL HO Brazilian Ctr Phys Res DE neutrino-nucleon reaction; meson production ID SINGLE PION-PRODUCTION; FORMULA AB We study forward neutrino-induced meson production off the nucleon in the resonance region. Our calculation is based on a dynamical coupled-channels (DCC) model that reasonably describes pi(gamma)N -> pi N, eta N, K Lambda, K Sigma data in the resonance region. We apply the PCAC hypothesis to the DCC model to relate the pN reaction amplitude to the forward neutrino reaction amplitude. In this way, we give a prediction for nu N -> pi N, pi pi N, eta N, K Lambda, K Sigma reaction cross sections. The predicted nu N -> pi pi N, eta N, K Lambda, K Sigma cross sections are, for the first time, based on a model extensively tested by data. We compare our results with those from the Rein-Sehgal model that has been very often used in the existing Monte Carlo simulators for neutrino experiments. We find a significant difference between them. C1 [Nakamura, S. X.] Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto 6068542, Japan. [Kamano, H.] Osaka Univ, Nucl Phys Res Ctr, Ibaraki, Osaka 5670047, Japan. [Lee, T. -S. H.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Sato, T.] Osaka Univ, Dept Phys, Toyonaka, Osaka 5600043, Japan. [Sato, T.] KEK, High Energy Accelerator Res Org, KEK Theory Ctr, Inst Particle & Nucl Studies,J PARC Branch, Tokai, Ibaraki 3191106, Japan. RP Nakamura, SX (reprint author), Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto 6068542, Japan. NR 21 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1308-5 J9 AIP CONF PROC PY 2015 VL 1663 AR 070005 DI 10.1063/1.4919486 PG 5 WC Physics, Applied; Physics, Particles & Fields SC Physics GA BC7KE UT WOS:000354963900025 ER PT S AU Schiavilla, R AF Schiavilla, R. BE DaMotta, H Morfin, JG Sakuda, M TI A realistic approach to inclusive e-scattering from nuclei SO NUINT12: 8TH INTERNATIONAL WORKSHOP ON NEUTRINO-NUCLEUS INTERACTIONS IN THE FEW-GEV REGION SE AIP Conference Proceedings LA English DT Proceedings Paper CT 8th International Workshop on Neutrino-Nucleus Interactions in the Few-GeV Region (NUINT12) CY OCT 22-27, 2012 CL Brazilian Ctr Phys Res, Rio de Janeiro, BRAZIL HO Brazilian Ctr Phys Res DE inclusive electron scattering from nuclei ID LIGHT-NUCLEI; FREEDOM AB We review the current status of calculations, based on realistic nuclear interactions and currents, of the inclusive electromagnetic response of nuclei in the quasi-elastic region. C1 [Schiavilla, R.] Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. [Schiavilla, R.] Jefferson Lab, Ctr Theory, Newport News, VA 23606 USA. RP Schiavilla, R (reprint author), Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. NR 30 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1308-5 J9 AIP CONF PROC PY 2015 VL 1663 AR 090001 DI 10.1063/1.4919496 PG 5 WC Physics, Applied; Physics, Particles & Fields SC Physics GA BC7KE UT WOS:000354963900035 ER PT S AU Li, JW Minami, H Steward, E Ma, T Mohar, D Robertson, C Shung, KK Zhou, QF Patel, PM Chen, ZP AF Li, Jiawen Minami, Hataka Steward, Earl Ma, Teng Mohar, Dilbahar Robertson, Claire Shung, K. Kirk Zhou, Qifa Patel, Pranav M. Chen, Zhongping BE Choi, B Kollias, N Zeng, H Kang, HW Wong, BJF Ilgner, JF Nuttal, A Richter, CP Skala, MC Dewhirst, MW Tearney, GJ Gregory, KW Marcu, L Mandelis, A TI Ideal flushing agents for integrated optical acoustic imaging systems SO PHOTONIC THERAPEUTICS AND DIAGNOSTICS XI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Photonic Therapeutics and Diagnostics XI CY FEB 07-08, 2015 CL San Francisco, CA SP SPIE, Assoc Res Otolaryngol DE Optical coherence tomography; ultrasound; attenuation; multimodality imaging ID COHERENCE TOMOGRAPHY AB An increased number of integrated optical acoustic intravascular imaging systems have been researched and hold great hope for accurate diagnosing of vulnerable plaques and for guiding atherosclerosis treatment. However, in any intravascular environment, vascular lumen is filled with blood, which is a high-scattering source for optical and high frequency ultrasound signals. Blood must be flushed away to make images clear. To our knowledge, no research has been performed to find the ideal flushing agent that works for both optical and acoustic imaging techniques. We selected three solutions, mannitol, dextran and iohexol, as flushing agents because of their image-enhancing effects and low toxicities. Quantitative testing of these flushing agents was performed in a closed loop circulation model and in vivo on rabbits. C1 [Li, Jiawen; Chen, Zhongping] Univ Calif Irvine, Beckman Laser Inst, Irvine, CA 92617 USA. [Li, Jiawen; Minami, Hataka; Chen, Zhongping] Univ Calif Irvine, Dept Biomed Engn, Irvine, CA 92697 USA. [Steward, Earl; Mohar, Dilbahar; Patel, Pranav M.] Univ Calif Irvine, Sch Med, Irvine, CA 92868 USA. [Ma, Teng; Shung, K. Kirk; Zhou, Qifa] Univ So Calif, NIH, Ultrason Transducer Resource Ctr, Los Angeles, CA 90089 USA. [Robertson, Claire] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Li, JW (reprint author), Univ Calif Irvine, Beckman Laser Inst, 1002 Hlth Sci Rd, Irvine, CA 92617 USA. NR 16 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-393-9 J9 PROC SPIE PY 2015 VL 9303 AR 93032Z DI 10.1117/12.2074696 PG 6 WC Engineering, Biomedical; Optics SC Engineering; Optics GA BC6PW UT WOS:000354366400047 ER PT J AU Matanovic, I Babanova, S Perry, A Serov, A Artyushkova, K Atanassov, P AF Matanovic, Ivana Babanova, Sofia Perry, Albert, III Serov, Alexey Artyushkova, Kateryna Atanassov, Plamen TI Bio-inspired design of electrocatalysts for oxalate oxidation: a combined experimental and computational study of Mn-N-C catalysts SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID BRILLOUIN-ZONE INTEGRATIONS; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; WET-AIR OXIDATION; OXYGEN REDUCTION; ALKALINE MEDIA; PLATINUM CATALYSTS; OXALIC-ACID; FUEL-CELL AB We report a novel non-platinum group metal (non-PGM) catalyst derived from Mn and amino-antipyrine (MnAAPyr) that shows electrochemical activity towards the oxidation of oxalic acid comparable to Pt with an onset potential for oxalate oxidation measured to be 0.714 +/- 0.002 V vs. SHE at pH = 4. The material has been synthesized using a templating Sacrificial Support Method with manganese nitrate and 4-aminoantipyrine as precursors. This catalyst is a nano-structured material in which Mn is atomically dispersed on a nitrogendoped graphene matrix. XPS studies reveal high abundance of pyridinic, Mn-Nx, and pyrrolic nitrogen pointing towards the conclusion that pyridinic nitrogen atoms coordinated to manganese constitute the active centers. Thus, the main features of the MnAAPyr catalyst are it exhibits similarity to the active sites of naturally occurring enzymes that are capable of efficient and selective oxidation of oxalic acid. Density functional theory in plane wave formalism with Perdew, Burke and Ernzerhof functional was further used to study the stability and activity of different one-metal active centers that could exist in the catalyst. The results show that the stability of the Mn-N-x sites changes in the following order: MnN4 > MnN3C > MnN2C2 > MnN3. Based on the overpotentials of 0.64 V and 0.71 V vs. SHE, calculated using the free energy diagrams for the oxalate oxidation mechanism, we could conclude that the MnN3C and MnN2C2 sites are most probable Mn-N-x sites responsible for the reported catalytic activity of the new catalyst. C1 [Matanovic, Ivana; Babanova, Sofia; Perry, Albert, III; Serov, Alexey; Artyushkova, Kateryna; Atanassov, Plamen] Univ New Mexico, CMEM, Dept Chem & Biol Engn, Albuquerque, NM 87131 USA. [Matanovic, Ivana] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Atanassov, P (reprint author), Univ New Mexico, CMEM, Dept Chem & Biol Engn, Albuquerque, NM 87131 USA. EM plamen@unm.edu RI Artyushkova, Kateryna/B-4709-2008 OI Artyushkova, Kateryna/0000-0002-2611-0422 FU US DOD, ARO-Multi-University Research Initiative [W911NF-14-1-0263]; Office of Science of the U.S. Department of Energy [DE-AC52-06NA25396, DE-AC02-05CH11231]; CNMS FX This work was supported by US DOD, ARO-Multi-University Research Initiative grant W911NF-14-1-0263 to University of Utah. VASP license was provided by Theoretical division, LANL, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. Computational work was performed using the computational resources of 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, NERSC, supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and CNMS, sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. This paper has been designated LA-UR-14-29700. NR 54 TC 7 Z9 7 U1 6 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2015 VL 17 IS 20 BP 13235 EP 13244 DI 10.1039/c5cp00676g PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CI0HC UT WOS:000354416700007 PM 25785903 ER PT J AU Cheng, YW Stolley, RM Han, KS Shao, YY Arey, BW Washton, NM Mueller, KT Helm, ML Sprenkle, VL Liu, J Li, GS AF Cheng, Yingwen Stolley, Ryan M. Han, Kee Sung Shao, Yuyan Arey, Bruce W. Washton, Nancy M. Mueller, Karl T. Helm, Monte L. Sprenkle, Vincent L. Liu, Jun Li, Guosheng TI Highly active electrolytes for rechargeable Mg batteries based on a [Mg-2(mu-Cl)(2)](2+) cation complex in dimethoxyethane SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID WIDE ELECTROCHEMICAL WINDOWS; MAGNESIUM BATTERIES; ION BATTERIES; CURRENT COLLECTORS; GRIGNARD-REAGENT; NMR; SALTS; CATHODE; PERFORMANCE; CHALLENGES AB A novel [Mg-2(mu-Cl)(2)](2+) cation complex, which is highly active for reversible Mg electrodeposition, was identified for the first time in this work. This complex was found to be present in electrolytes formulated in dimethoxyethane (DME) through dehalodimerization of non-nucleophilic MgCl2 by reacting with either Mg salts (such as Mg(TFSI)(2), TFSI = bis(trifluoromethane) sulfonylimide) or Lewis acid salts (such as AlEtCl2 or AlCl3). The molecular structure of the cation complex was characterized by single crystal X-ray diffraction, Raman spectroscopy and NMR. The electrolyte synthesis process was studied and rational approaches for formulating highly active electrolytes were proposed. Through control of the anions, electrolytes with an efficiency close to 100%, a wide electrochemical window (up to 3.5 V) and a high ionic conductivity (46 mS cm(-1)) were obtained. The understanding of electrolyte synthesis in DME developed in this work could bring significant opportunities for the rational formulation of electrolytes of the general formula [Mg-2(mu-Cl)(2)][anion] x for practical Mg batteries. C1 [Cheng, Yingwen; Shao, Yuyan; Sprenkle, Vincent L.; Liu, Jun; Li, Guosheng] Energy & Environm Directorate, Energy Proc & Mat Div, Richland, WA 99352 USA. [Stolley, Ryan M.; Helm, Monte L.] Fundamental & Computat Sci Directorate, Catalysis Sci Div, Richland, WA 99352 USA. [Han, Kee Sung; Arey, Bruce W.; Washton, Nancy M.; Mueller, Karl T.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Mueller, Karl T.] Penn State Univ, Dept Chem, University Pk, PA 16082 USA. RP Li, GS (reprint author), Energy & Environm Directorate, Energy Proc & Mat Div, Richland, WA 99352 USA. EM guosheng.li@pnnl.gov RI Shao, Yuyan/A-9911-2008; Cheng, Yingwen/B-2202-2012 OI Shao, Yuyan/0000-0001-5735-2670; Cheng, Yingwen/0000-0002-0778-5504 FU U.S. Department of Energy (DOE) Office of Electricity Delivery and Energy Reliability [57558]; Laboratory-Directed Research and Development Program of Pacific Northwest National Laboratory (PNNL); DOE [DE-AC05-76RL01830]; DOE's Office of Biological and Environmental Research FX We would like to gratefully acknowledge the support from the U.S. Department of Energy (DOE) Office of Electricity Delivery and Energy Reliability under Contract No. 57558 and the Laboratory-Directed Research and Development Program of Pacific Northwest National Laboratory (PNNL). NMR, Raman, and SEM characterization methods were performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research, located at PNNL. PNNL is a multiprogram laboratory operated by Battelle Memorial Institute for the DOE under Contract DE-AC05-76RL01830. NR 40 TC 28 Z9 28 U1 12 U2 71 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2015 VL 17 IS 20 BP 13307 EP 13314 DI 10.1039/c5cp00859j PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CI0HC UT WOS:000354416700015 PM 25920549 ER PT J AU Yu, HG AF Yu, Hua-Gen TI Neural network iterative diagonalization method to solve eigenvalue problems in quantum mechanics SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID POTENTIAL-ENERGY SURFACES; RESIDUAL FILTER DIAGONALIZATION; TRANSITION-STATE RESONANCES; LANCZOS RECURSION METHOD; COMPUTING EIGENVECTORS; DYNAMICS CALCULATIONS; VIBRATIONAL ENERGIES; REACTIVE SCATTERING; GEOMETRIC PHASE; WAVE-PACKETS AB We propose a multi-layer feed-forward neural network iterative diagonalization method (NNiDM) to compute some eigenvalues and eigenvectors of large sparse complex symmetric or Hermitian matrices. The NNiDM algorithm is developed by using the complex (or real) guided spectral transform Lanczos (cGSTL) method, thick restart technique, and multi-layered basis contraction scheme. Artificial neurons (or nodes) are defined by a set of formally orthogonal Lanczos polynomials, where the biases and weights are dynamically determined through a series of cGSTL iterations and small matrix diagonalizations. The algorithm starts with one random vector. The last output layer produces wanted eigenvalues and eigenvectors near a given reference value via a linear transform diagonalization approach. Since the algorithm uses the spectral transform technique, it is capable of computing interior eigenstates in dense spectrum regions. The general NNiDM algorithm is applied for calculating energies, widths, and wavefunctions of two typical molecules HO2 and CH4 as examples. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Yu, HG (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM hgy@bnl.gov RI Yu, Hua-Gen/N-7339-2015 FU U.S. Department of Energy, Office of Science and its Division of Chemical Sciences, Geosciences, and Biosciences within the Office of Basic Energy Sciences [DE-AC02-98CH10886]; National Energy Research Scientific Computing Center (NERSC) [DE-AC02-05CH11231] FX This work was performed at Brookhaven National Laboratory under Contracts No. DE-AC02-98CH10886 with the U.S. Department of Energy, Office of Science, and supported by its Division of Chemical Sciences, Geosciences, and Biosciences within the Office of Basic Energy Sciences. It also used the resource at the National Energy Research Scientific Computing Center (NERSC) under Contract No. DE-AC02-05CH11231. The author thanks Dr Xiao-Gang Wang for providing the Fortran code of the WC potential energy surface of methane. NR 105 TC 1 Z9 1 U1 2 U2 10 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 2015 VL 17 IS 21 BP 14071 EP 14082 DI 10.1039/c5cp01438g PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CI7LY UT WOS:000354946200033 PM 25959361 ER PT S AU Crabtree, G AF Crabtree, George BE Knapp, RH Levi, BG Kammen, DM TI The Joint Center for Energy Storage Research: A New Paradigm for Battery Research and Development SO PHYSICS OF SUSTAINABLE ENERGY III (PSE III): USING ENERGY EFFICIENTLY AND PRODUCING IT RENEWABLY SE AIP Conference Proceedings LA English DT Proceedings Paper CT 3rd Physics of Sustainable Energy (PSE) Conference CY MAR 08-09, 2014 CL Berkeley, CA SP Amer Phys Soc, Forum Phys & Soc, Amer Assoc Phys Teachers, Topical Grp Energy Res & Applicat, Renewable & Appropriate Energy Lab DE energy storage; batteries; materials science; electrochemistry; solvation ID TRANSMISSION ELECTRON-MICROSCOPY; REDOX FLOW BATTERIES; LITHIUM-SULFUR BATTERIES; LI-ION BATTERIES; LI-O-2 BATTERIES; RECHARGEABLE BATTERIES; CATHODE MATERIALS; AIR BATTERIES; CHALLENGES; DEPOSITION AB The Joint Center for Energy Storage Research (JCESR) seeks transformational change in transportation and the electricity grid driven by next generation high performance, low cost electricity storage. To pursue this transformative vision JCESR introduces a new paradigm for battery research: integrating discovery science, battery design, research prototyping and manufacturing collaboration in a single highly interactive organization. This new paradigm will accelerate the pace of discovery and innovation and reduce the time from conceptualization to commercialization. JCESR applies its new paradigm exclusively to beyond-lithium-ion batteries, a vast, rich and largely unexplored frontier. This review presents JCESR's motivation, vision, mission, intended outcomes or legacies and first year accomplishments. C1 [Crabtree, George] Argonne Natl Lab, Joint Ctr Energy Storage Res, Argonne, IL 60439 USA. [Crabtree, George] Univ Illinois, Chicago, IL 60607 USA. RP Crabtree, G (reprint author), Argonne Natl Lab, Joint Ctr Energy Storage Res, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 91 TC 4 Z9 4 U1 1 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1294-1 J9 AIP CONF PROC PY 2015 VL 1652 BP 112 EP 128 DI 10.1063/1.4916174 PG 17 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BC7HL UT WOS:000354881700011 ER PT S AU Budnitz, RJ AF Budnitz, Robert J. BE Knapp, RH Levi, BG Kammen, DM TI Topics in Nuclear Power SO PHYSICS OF SUSTAINABLE ENERGY III (PSE III): USING ENERGY EFFICIENTLY AND PRODUCING IT RENEWABLY SE AIP Conference Proceedings LA English DT Proceedings Paper CT 3rd Physics of Sustainable Energy (PSE) Conference CY MAR 08-09, 2014 CL Berkeley, CA SP Amer Phys Soc, Forum Phys & Soc, Amer Assoc Phys Teachers, Topical Grp Energy Res & Applicat, Renewable & Appropriate Energy Lab AB The 101 nuclear plants operating in the US today are far safer than they were 20-30 years ago. For example, there's been about a 100-fold reduction in the occurrence of "significant events" since the late 1970s. Although the youngest of currently operating US plants was designed in the 1970s, all have been significantly modified over the years. Key contributors to the safety gains are a vigilant culture, much improved equipment reliability, greatly improved training of operators and maintenance workers, worldwide sharing of experience, and the effective use of probabilistic risk assessment. Several manufacturers have submitted high quality new designs for large reactors to the U.S. Nuclear Regulatory Commission (NRC) for design approval, and several companies are vigorously working on designs for smaller, modular reactors. Although the Fukushima reactor accident in March 2011 in Japan has been an almost unmitigated disaster for the local population due to their being displaced from their homes and workplaces and also due to the land contamination, its "lessons learned" have been important for the broader nuclear industry, and will surely result in safer nuclear plants worldwide - indeed, have already done so, with more safety improvements to come. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Budnitz, RJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1294-1 J9 AIP CONF PROC PY 2015 VL 1652 BP 145 EP 152 DI 10.1063/1.4916177 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BC7HL UT WOS:000354881700014 ER PT S AU Ebata, T Kusaka, R Xantheas, SS AF Ebata, Takayuki Kusaka, Ryoji Xantheas, Sotiris S. BE Simos, TE Maroulis, G TI Laser Spectroscopic and Theoretical Studies of the Structures and Encapsulation Motifs of Functional Molecules SO PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010) SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference of Computational Methods in Sciences and Engineering (ICCMSE) CY OCT 03-08, 2010 CL Kos, GREECE SP European Soc Computat Methods Sci, Engn & Technol DE Functional molecules; Molecular recognition; guest-host interactions; laser spectroscopy; electronic structure calculations ID BASIS-SETS; DIBENZO-18-CROWN-6-ETHER; CHEMISTRY; SYSTEMS AB Extensive laser spectroscopic and theoretical studies have been recently carried out with the aim to reveal the structure and dynamics of encapsulation complexes in the gas phase. The characteristics of the encapsulation complexes are governed by the fact that (i) most of the host molecules are flexible and (0 the complexes form high dimensional structures by using weak non-covalent interactions. These characteristics result in the possibility of the coexistence of many confonners in close energetic proximity. The combination of supersonic jet/laser spectroscopy and high level quantum chemical calculations is essential in tackling these challenging problems. In this report we describe our recent studies on the structures and dynamics of the encapsulation complexes formed by calix[4]arene dibenzo-18-crown-6-ether (DB1.8C6), and benzo-18-crown-6-ether (B18C6) "hosts" interacting with N-2, acetylene, water, and ammonia "guest" molecules. The gaseous host-guest complexes are generated under jet-cooled conditions. We apply various laser spectroscopic methods to obtain the conformer- and isomer-specified electronic and IR spectra. The experimental results are complemented with quantum chemical calculations ranging front density functional theory to high level first principles calculations at the MP2 and CCSD(T) levels of theory. We discuss the possible conformations of the bare host molecules, the structural changes they undergo upon complexation, and the key interactions that are responsible in stabilizing the specific complexes. C1 [Ebata, Takayuki; Kusaka, Ryoji] Hiroshima Univ, Grad Sch Sci, Dept Chem, Higashihiroshima 7398526, Japan. [Xantheas, Sotiris S.] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA. RP Ebata, T (reprint author), Hiroshima Univ, Grad Sch Sci, Dept Chem, Kagamiyama 1-3-1, Higashihiroshima 7398526, Japan. RI Xantheas, Sotiris/L-1239-2015 NR 25 TC 0 Z9 0 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1282-8 J9 AIP CONF PROC PY 2015 VL 1642 BP 51 EP 59 DI 10.1063/14906630 PG 9 WC Physics, Applied SC Physics GA BC7GK UT WOS:000354845400006 ER PT J AU Dasha, A Knapp, FFR AF Dasha, Ashutosh Knapp, F. F. (Russ), Jr. TI An overview of radioisotope separation technologies for development of W-188/Re-188 radionuclide generators providing Re-188 to meet future research and clinical demands SO RSC ADVANCES LA English DT Review ID ELECTRO-AMALGAMATION APPROACH; NUCLEAR MEDICAL APPLICATIONS; ANION-EXCHANGE RESINS; TUNGSTEN-188/RHENIUM-188 GENERATOR; POTENTIAL STEP; GEL GENERATOR; RE-188-LABELED RADIOPHARMACEUTICALS; THERAPEUTIC APPLICATIONS; BIOMEDICAL APPLICATIONS; GE-68/GA-68 GENERATOR AB The role of the tungsten-188/rhenium-188 (W-188/Re-188) generator system to provide the no-carrier added (NCA) Re-188 therapeutic radionuclide for applications in nuclear medicine and oncology is well established. The evolution and successful use of the W-188/Re-188 generator in nuclear medicine has resulted from new discoveries and innovations from separation science along with technological advances which have broadened the scope and utility of W-188/Re-188 generators. Nonetheless, there are still additional opportunities for improvements and innovations in separation science which will undoubtedly continue to provide improvements in W-188/Re-188 generator technology. In this review, we discuss the reported separation technologies such as the adsorption-type systems which have been traditionally used as well as emerging separation technologies which have the potential for further development of W-188/Re-188 generator systems. This article also outlines the comparative advantages and disadvantages of various key separation technologies. Further, the regulatory challenges, the impact on W-188/Re-188 technology with the emergence of professionally run central radiopharmacies, and the role of automation are discussed. C1 [Dasha, Ashutosh] Bhabha Atom Res Ctr, Isotope Prod & Applicat Div, Bombay 400085, Maharashtra, India. [Knapp, F. F. (Russ), Jr.] Oak Ridge Natl Lab, Isotope Dev Grp, Med Isotopes Program, Oak Ridge, TN 37831 USA. RP Knapp, FFR (reprint author), Oak Ridge Natl Lab, Isotope Dev Grp, Med Isotopes Program, Room 203,MS 6229,Bldg 4501,POB 2008, Oak Ridge, TN 37831 USA. EM knapp.r@ornl.gov OI Dash, Ashutosh/0000-0001-7541-7298 NR 124 TC 1 Z9 1 U1 5 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2015 VL 5 IS 49 BP 39012 EP 39036 DI 10.1039/c5ra03890a PG 25 WC Chemistry, Multidisciplinary SC Chemistry GA CH7FQ UT WOS:000354201500026 ER PT S AU Kim, J Li, TC Wang, Y Zhang, X AF Kim, Jeongmin Li, Tongcang Wang, Yuan Zhang, Xiang BE Brown, TG Cogswell, CJ Wilson, T TI Resolving power in direct oblique plane imaging SO THREE-DIMENSIONAL AND MULTIDIMENSIONAL MICROSCOPY: IMAGE ACQUISITION AND PROCESSING XXII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Three-Dimensional and Multidimensional Microscopy - Image Acquisition and Processing XXII CY FEB 09-12, 2015 CL San Francisco, CA SP SPIE DE Oblique plane imaging; oblique plane microscopy; vectorial diffraction theory; asymmetric pupil function; point spread function; optical transfer function; optical resolution; remote focusing ID OPTICAL TRANSFER-FUNCTION; MICROSCOPY AB Direct oblique plane imaging is a high-speed microscopy technique that observes a sample's plane that is inclined to the focal plane of the microscope objective lens. This wide-field microscopy is suitable for a study of fast dynamics of living samples where the principle plane of interest is tilted to the focal plane. A way to implement this imaging technique is to use remote focusing together with a tilted mirror, which involves asymmetrical pupil function of the imaging system. We rigorously study the anisotropic resolving power of the oblique plane imaging using a vectorial diffraction theory. From the derived effective pupil function, we calculate vectorial point spread function (PSF) and optical transfer function (OTF). We show that the two-dimensional (2D) PSF of the direct oblique plane imaging is not merely an oblique cross-section of the 3D PSF of circular aperture system. Similarly, 2D OTF of the oblique plane imaging is different from 2D oblique projection of conventional 3D OTF in circular aperture system. C1 [Kim, Jeongmin; Wang, Yuan; Zhang, Xiang] NSF Nanoscale Sci & Engn Ctr, Berkeley, CA 94720 USA. [Li, Tongcang] Purdue Univ, Dept Phys & Astron, W Lafayette, IN 47907 USA. [Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Kim, J (reprint author), NSF Nanoscale Sci & Engn Ctr, 3112 Etcheverry Hall, Berkeley, CA 94720 USA. EM jmk@berkeley.edu NR 10 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-420-2 J9 PROC SPIE PY 2015 VL 9330 AR 93300E DI 10.1117/12.2078008 PG 5 WC Microscopy; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Microscopy; Optics; Radiology, Nuclear Medicine & Medical Imaging GA BC6NG UT WOS:000354168000008 ER PT S AU Mark, AE Davis, MA Starosta, MS Dunn, AK AF Mark, Andrew E. Davis, Mitchell A. Starosta, Matthew S. Dunn, Andrew K. BE Brown, TG Cogswell, CJ Wilson, T TI Computational modeling of STED microscopy through multiple biological cells under one- and two-photon excitation SO THREE-DIMENSIONAL AND MULTIDIMENSIONAL MICROSCOPY: IMAGE ACQUISITION AND PROCESSING XXII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Three-Dimensional and Multidimensional Microscopy - Image Acquisition and Processing XXII CY FEB 09-12, 2015 CL San Francisco, CA SP SPIE DE STED microscopy; superresolution; computational modeling; FDTD method; light scattering ID STIMULATED-EMISSION; ELECTROMAGNETIC DIFFRACTION; FLUORESCENCE MICROSCOPY; OPTICAL SYSTEMS; BRAIN-SLICES; IMAGE FIELD; RESOLUTION; NANOSCOPY; DEEP AB While superresolution optical microscopy techniques afford enhanced resolution for biological applications, they have largely been used to study structures in isolated cells. We use the FDTD method to simulate the propagation of focused beams for STED microscopy through multiple biological cells. We model depletion beams that provide 2D and 3D confinement of the fluorescence spot and assess the effective PSF of the system as a function of focal depth. We compare the relative size of the STED effective PSF under one- and two-photon excitation. PSF calculations suggest that imaging is possible up to the maximum simulation depth if the fluorescence emission remains detectable. C1 [Mark, Andrew E.; Davis, Mitchell A.] Univ Texas Austin, Dept Elect & Comp Engn, Austin, TX 78712 USA. [Starosta, Matthew S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Dunn, Andrew K.] Univ Texas Austin, Dept Biomed Engn, Austin, TX 78712 USA. RP Mark, AE (reprint author), Univ Texas Austin, Dept Elect & Comp Engn, Austin, TX 78712 USA. NR 20 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-420-2 J9 PROC SPIE PY 2015 VL 9330 AR 93300V DI 10.1117/12.2078345 PG 9 WC Microscopy; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Microscopy; Optics; Radiology, Nuclear Medicine & Medical Imaging GA BC6NG UT WOS:000354168000015 ER PT J AU Duckworth, K Spencer, M Bates, C Miller, ME Almquist, C Grimaila, M Magnuson, M Willison, S Phillips, R Racz, L AF Duckworth, Kelsey Spencer, Michael Bates, Christopher Miller, Michael E. Almquist, Catherine Grimaila, Michael Magnuson, Matthew Willison, Stuart Phillips, Rebecca Racz, LeeAnn TI Advanced oxidation degradation kinetics as a function of ultraviolet LED duty cycle SO WATER SCIENCE AND TECHNOLOGY LA English DT Article DE hydrogen peroxide; light emitting diode; methylene blue; ultraviolet ID LIGHT EMITTING DIODES; AQUEOUS-SOLUTION; UV; EFFICIENCY; ILLUMINATION; PHENOL AB Ultraviolet (UV) light emitting diodes (LEDs) may be a viable option as a UV light source for advanced oxidation processes (AOPs) utilizing photocatalysts or oxidizing agents such as hydrogen peroxide. The effect of UV-LED duty cycle, expressed as the percentage of time the LED is powered, was investigated in an AOP with hydrogen peroxide, using methylene blue (MB) to assess contaminant degradation. The UV-LED AOP degraded the MB at all duty cycles. However, adsorption of MB onto the LED emitting surface caused a linear decline in reactor performance over time. With regard to the effect of duty cycle, the observed rate constant of MB degradation, after being adjusted to account for the duty cycle, was greater for 5 and 10% duty cycles than higher duty cycles, providing a value approximately 160% higher at 5% duty cycle than continuous operation. This increase in adjusted rate constant at low duty cycles, as well as contaminant fouling of the LED surface, may impact design and operational considerations for pulsed UV-LED AOP systems. C1 [Duckworth, Kelsey; Spencer, Michael; Bates, Christopher; Miller, Michael E.; Grimaila, Michael; Racz, LeeAnn] Air Force Inst Technol, Dept Syst Engn & Management, Wright Patterson AFB, OH 45433 USA. [Almquist, Catherine] Miami Univ, Chem Paper & Biomed Engn Dept, Oxford, OH 45056 USA. [Magnuson, Matthew; Willison, Stuart] US EPA, Natl Homeland Secur Res Ctr, Water Infrastruct Protect Div, Cincinnati, OH 45268 USA. [Phillips, Rebecca] US EPA, Oak Ridge Inst Sci & Educ, Cincinnati, OH 45268 USA. RP Miller, ME (reprint author), Air Force Inst Technol, Dept Syst Engn & Management, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA. EM michael.miller@afit.edu OI Phillips, Rebecca/0000-0002-7270-7078 FU US Environmental Protection Agency through Office of Research and Development [92370201]; appointment to the Internship/Research Participation Program at the National Homeland Security Research Center, Water Infrastructure Protection Division, US Environmental Protection Agency FX The US Environmental Protection Agency through its Office of Research and Development partially funded and collaborated in the research described here under Interagency Agreement 92370201. It has been subjected to the Agency's review and approved for publication. Approval does not signify that the contents necessarily reflect the views of the Agency. Mention of trade names, products, or services does not convey official EPA approval, endorsement, or recommendation. This project was supported in part by an appointment to the Internship/Research Participation Program at the National Homeland Security Research Center, Water Infrastructure Protection Division, US Environmental Protection Agency, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the US Department of Energy and EPA. The authors would like to acknowledge the support of Sarah Fyda, Nate Godby and Robert Scott for collecting a portion of the experimental data. NR 19 TC 1 Z9 1 U1 6 U2 21 PU IWA PUBLISHING PI LONDON PA ALLIANCE HOUSE, 12 CAXTON ST, LONDON SW1H0QS, ENGLAND SN 0273-1223 EI 1996-9732 J9 WATER SCI TECHNOL JI Water Sci. Technol. PY 2015 VL 71 IS 9 BP 1375 EP 1381 DI 10.2166/wst.2015.108 PG 7 WC Engineering, Environmental; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA CI4NF UT WOS:000354726000014 PM 25945855 ER PT S AU Karstens, W Smith, DY AF Karstens, W. Smith, D. Y. GP IOP TI Inertial and interference effects in optical spectroscopy SO 12TH EUROPHYSICAL CONFERENCE ON DEFECTS IN INSULATING MATERIALS (EURODIM 2014) SE IOP Conference Series-Materials Science and Engineering LA English DT Proceedings Paper CT 12th Europhysical Conference on Defects in Insulating Materials (EURODIM) CY JUL 13-18, 2014 CL Univ Kent, Canterbury, UNITED KINGDOM HO Univ Kent AB Interference between free-space and material components of the displacement current plays a key role in determining optical properties. This is illustrated by an analogy between the Lorentz optical model and a-c circuits. Phase shifts in material-polarization currents, which are inertial, relative to the non-inertial vacuum-polarization current cause interference in the total displacement current and, hence, variation in E-M wave propagation. If the displacement-current is reversed, forward propagation is inhibited yielding the semimetallic reflectivity exhibited by intrinsic silicon. Complete cancellation involves material currents offsetting free-space currents to form current-loops that correspond to plasmons. C1 [Karstens, W.] St Michaels Coll, Colchester, VT 05439 USA. [Smith, D. Y.] Univ Vermont, Phys, Burlington, VT 05405 USA. [Smith, D. Y.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Karstens, W (reprint author), St Michaels Coll, Colchester, VT 05439 USA. EM dysmith@uvm.edu NR 19 TC 0 Z9 0 U1 1 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1757-8981 J9 IOP CONF SER-MAT SCI PY 2015 VL 80 AR 012012 DI 10.1088/1757-899X/80/1/012012 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA BC6YP UT WOS:000354607400012 ER PT J AU Ramakrishnan, R von Lilienfeld, OA AF Ramakrishnan, Raghunathan von Lilienfeld, O. Anatole TI Many Molecular Properties from One Kernel in Chemical Space SO CHIMIA LA English DT Article DE Chemical Space; Kernel Ridge Regression; Machine learning; Molecular properties; Quantum chemistry ID BIG DATA; PRINCIPLE; SCIENCE AB We introduce property-independent kernels for machine learning models of arbitrarily many molecular properties. The kernels encode molecular structures for training sets of varying size, as well as similarity measures sufficiently diffuse in chemical space to sample over all training molecules. When provided with the corresponding molecular reference properties, they enable the instantaneous generation of machine learning models which can be systematically improved through the addition of more data. This idea is exemplified for single kernel based modeling of internal energy, enthalpy, free energy, heat capacity, polarizability, electronic spread, zero-point vibrational energy, energies of frontier orbitals, HOMO-LUMO gap, and the highest fundamental vibrational wavenumber. Models of these properties are trained and tested using 112,000 organic molecules of similar size. The resulting models are discussed as well as the kernels' use for generating and using other property models. C1 [Ramakrishnan, Raghunathan; von Lilienfeld, O. Anatole] Univ Basel, Inst Phys Chem, CH-4056 Basel, Switzerland. [Ramakrishnan, Raghunathan; von Lilienfeld, O. Anatole] Univ Basel, Natl Ctr Computat Design & Discovery Novel Mat MA, Dept Chem, CH-4056 Basel, Switzerland. [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, Klingelbergstr 80, CH-4056 Basel, Switzerland. EM anatole.vonlilienfeld@unibas.ch RI Ramakrishnan, Raghunathan/C-7250-2015; von Lilienfeld, O. Anatole/D-8529-2011 OI Ramakrishnan, Raghunathan/0000-0003-0866-3645; FU Swiss National Science foundation [PP00P2_138932]; Office of Science of the U.S. DOE [DE-AC02-06CH11357] FX OAvL acknowledges funding from the Swiss National Science foundation (No. PP00P2_138932). Some calculations were performed at sciCORE (http://scicore.unibas.ch/) scientific computing core facility at University of Basel. 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. NR 25 TC 7 Z9 7 U1 4 U2 13 PU SWISS CHEMICAL SOC PI BERN PA SCHWARZTORSTRASSE 9, CH-3007 BERN, SWITZERLAND SN 0009-4293 J9 CHIMIA JI Chimia PY 2015 VL 69 IS 4 BP 182 EP 186 DI 10.2533/chimia.2015.182 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA CI1MB UT WOS:000354507200005 PM 26672132 ER PT J AU Huang, JH Azimi, N Cheng, L Shkrob, IA Xue, Z Zhang, JJ Rago, NLD Curtiss, LA Amine, K Zhang, ZC Zhang, L AF Huang, Jinhua Azimi, Nasim Cheng, Lei Shkrob, Ilya A. Xue, Zheng Zhang, Junjie Rago, Nancy L. Dietz Curtiss, Larry A. Amine, Khalil Zhang, Zhengcheng Zhang, Lu TI An organophosphine oxide redox shuttle additive that delivers long-term overcharge protection for 4 V lithium-ion batteries SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID OVERDISCHARGE PROTECTION; CHEMICAL OVERCHARGE; PERFORMANCE; CELLS AB Redox shuttle additives are used to protect Li-ion batteries from overcharge. Increased operating voltage requires striking a balance between a high redox potential and electrochemical stability. 1,4-Bis[bis(1-methylethyl) phosphinyl]-2,5-dimethoxybenzene (BPDB) exhibits a redox potential of 4.5 V vs. Li/Li+ and provides stable overcharge protection for 4 V cells delivering 95 cycles of 100% overcharge ratio. C1 [Huang, Jinhua; Cheng, Lei; Curtiss, Larry A.; Amine, Khalil; Zhang, Zhengcheng; Zhang, Lu] Argonne Natl Lab, Joint Ctr Energy Storage Res, Lemont, IL 60439 USA. [Huang, Jinhua; Azimi, Nasim; Shkrob, Ilya A.; Xue, Zheng; Rago, Nancy L. Dietz; Amine, Khalil; Zhang, Zhengcheng; Zhang, Lu] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Cheng, Lei; Zhang, Junjie; Curtiss, Larry A.] Argonne Natl Lab, Mat Sci Div, Lemont, IL 60439 USA. RP Zhang, ZC (reprint author), Argonne Natl Lab, Joint Ctr Energy Storage Res, Lemont, IL 60439 USA. EM zzhang@anl.gov; luzhang@anl.gov RI Zhang, junjie/C-4129-2008 OI Zhang, junjie/0000-0002-5561-1330 FU Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub - U.S. Department of Energy, Office of Science, Basic Energy Sciences; U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX This work was supported as part of the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract no. DE-AC02-06CH11357. NR 32 TC 7 Z9 8 U1 5 U2 33 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 2015 VL 3 IS 20 BP 10710 EP 10714 DI 10.1039/c5ta01326g PG 5 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CH9ZN UT WOS:000354395400011 ER PT J AU Steirer, KX Richards, RE Sigdel, AK Garcia, A Ndione, PF Hammond, S Baker, D Ratcliff, EL Curtis, C Furtak, T Ginley, DS Olson, DC Armstrong, NR Berry, JJ AF Steirer, K. X. Richards, R. E. Sigdel, A. K. Garcia, A. Ndione, P. F. Hammond, S. Baker, D. Ratcliff, E. L. Curtis, C. Furtak, T. Ginley, D. S. Olson, D. C. Armstrong, N. R. Berry, J. J. TI Nickel oxide interlayer films from nickel formate-ethylenediamine precursor: influence of annealing on thin film properties and photovoltaic device performance SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID ORGANIC SOLAR-CELLS; HOLE TRANSPORT LAYERS; THERMAL-DECOMPOSITION; INFRARED-SPECTROSCOPY; VIBRATIONAL-SPECTRA; INTERFACIAL LAYER; WORK FUNCTION; BUFFER LAYER; COMPLEXES; METAL AB An organometallic ink based on the nickel formate-ethylenediamine (Ni(O2CH)(2)(en)(2)) complex forms high performance NiOx thin film hole transport layers (HTL) in organic photovoltaic (OPV) devices. Improved understanding of these HTLs functionality can be gained from temperature-dependent decomposition/oxidation chemistries during film formation and corresponding chemical structure-function relationships for energetics, charge selectivity, and transport in photovoltaic platforms. Investigations of as-cast films annealed in air (at 150 degrees C-350 degrees C), with and without subsequent O-2-plasma treatment, were performed using thermogravimetric analysis, Fourier transform infrared spectroscopy, ultraviolet and X-ray photoelectron spectroscopy, and spectroscopic ellipsometry to elucidate the decomposition and oxidation of the complex to NiOx. Regardless of the anneal temperature, after exposure to O-2-plasma, these HTLs exhibit work functions greater than the ionization potential of a prototype donor polymer poly(N-90-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole) (PCDTBT), thereby meeting a primary requirement of energy level alignment. Thus, bulk-heterojunction (BHJ), OPV solar cells made on this series of NiOx HTLs all exhibit similar open circuit voltages (V-oc). In contrast, the short circuit currents increase significantly from 1.7 to 11.2 mA cm(-2) upon increasing the anneal temperature from 150 degrees C to 250 degrees C. Concomitantly, increased conductivity and electrical homogeneity of NiOx thin films are observed at the nanoscale using conductive tip-AFM. Similar V-oc observed for all the O-2-plasma treated NiOx interlayers and variations to nanoscale conductivity suggest that the HTLs all form charge selective contacts and that their carrier extraction efficiency is determined by the amount of precursor conversion to NiOx. The separation of these two properties: selectivity and conductivity, sheds further light on charge selective interlayer functionality. C1 [Steirer, K. X.; Richards, R. E.; Armstrong, N. R.] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA. [Sigdel, A. K.] Univ Denver, Dept Phys & Astron, Denver, CO USA. [Steirer, K. X.; Sigdel, A. K.; Garcia, A.; Ndione, P. F.; Hammond, S.; Curtis, C.; Ginley, D. S.; Olson, D. C.; Berry, J. J.] Natl Renewable Energy Lab, Golden, CO USA. [Steirer, K. X.; Baker, D.; Furtak, T.] Colorado Sch Mines, Appl Phys Dept, Golden, CO 80401 USA. [Ratcliff, E. L.] Univ Arizona, Dept Mat Sci & Engn, Tucson, AZ 85721 USA. RP Steirer, KX (reprint author), Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA. EM Steirer@NREL.GOV; Joseph.Berry@NREL.GOV RI Richards, Ryan/B-3513-2008; Ndione, Paul/O-6152-2015 OI Ndione, Paul/0000-0003-4444-2938 FU Center for Interface Science: Solar Electric Materials, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0001084]; NREL LDRD [ARE21000] FX Thank you Professor Reuben T. Collins at the Colorado School of Mines for thoughtful discussions. Research supported as part of the Center for Interface Science: Solar Electric Materials, an Energy Frontier Research Center funded the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award Number DE-SC0001084 (NRA, ELR, RER, KXS), and NREL LDRD Number ARE21000. NR 80 TC 3 Z9 3 U1 6 U2 32 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 2015 VL 3 IS 20 BP 10949 EP 10958 DI 10.1039/c5ta01379h PG 10 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CH9ZN UT WOS:000354395400042 ER PT S AU Mitra, D Bouthcko, R Ray, J Nilsen-Hamitton, M AF Mitra, Debasis Bouthcko, Rostyslav Ray, Judhajeet Nilsen-Hamitton, Marit BE Gurcan, MN Madabhushi, A TI Detecting Cells in Time Varying Intensity Images in Confocal Microscopy For Gene Expression Studies in Living Cells SO MEDICAL IMAGING 2015: DIGITAL PATHOLOGY SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Digital Pathology CY FEB 25-26, 2015 CL Orlando, FL SP SPIE, ALIO Ind, Alpin Med Syst, Modus Med Devices Inc, Bruker DE Confocal microscopy; FRET imaging; live cell gene expression study; Quantitative biology; Cell detection on time-lapsed image sequence; Time series estimation from image; Scale-space algorithm AB In this work we present a time-lapsed confocal microscopy image analysis technique for an automated gene expression study of multiple single living cells. Fluorescence Resonance Energy Transfer (FRET) is a technology by which molecule-to-molecule interactions are visualized. We analyzed a dynamic series of similar to 10(2) images obtained using confocal microscopy of fluorescence in yeast cells containing RNA reporters that give a FRET signal when the gene promoter is activated. For each time frame, separate images are available for three spectral channels and the integrated intensity snapshot of the system. A large number of time-lapsed frames must be analyzed to identify each cell individually across time and space, as it is moving in and out of the focal plane of the microscope. This makes it a difficult image processing problem. We have proposed an algorithm here, based on scale-space technique, which solves the problem satisfactorily. The algorithm has multiple directions for even further improvement. The ability to rapidly measure changes in gene expression simultaneously in many cells in a population will open the opportunity for real-time studies of the heterogeneity of genetic response in a living cell population and the interactions between cells that occur in a mixed population, such as the ones found in the organs and tissues of multicellular organisms. C1 [Mitra, Debasis] Florida Inst Technol Melbourne, Dept Comp Sci, Melbourne, FL 32901 USA. [Bouthcko, Rostyslav] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ray, Judhajeet; Nilsen-Hamitton, Marit] Iowa State Univ, Ames Lab, Ames, IA USA. [Ray, Judhajeet; Nilsen-Hamitton, Marit] Iowa State Univ, Roy J Carver Dept Biochem Biophys & Mol Biol, Ames, IA USA. RP Mitra, D (reprint author), Florida Inst Technol Melbourne, Dept Comp Sci, Melbourne, FL 32901 USA. NR 6 TC 0 Z9 0 U1 1 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-510-0 J9 PROC SPIE PY 2015 VL 9420 AR 942011 DI 10.1117/12.2081691 PG 4 WC Optics; Radiology, Nuclear Medicine & Medical Imaging SC Optics; Radiology, Nuclear Medicine & Medical Imaging GA BC6QB UT WOS:000354372500034 ER PT S AU Kulshreshtha, P Maruyama, K Dhuey, S Ziegler, D Chao, WL Ashby, P Olynicka, D AF Kulshreshtha, Prashant Maruyama, Ken Dhuey, Scott Ziegler, Dominik Chao, Weilun Ashby, Paul Olynick, Deirdre BE Wallow, TI Hohle, CK TI Revealing beam-induced chemistry using modulus mapping in negative-tone EUV/e-beam resists with and without cross-linker additives SO ADVANCES IN PATTERNING MATERIALS AND PROCESSES XXXII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Advances in Patterning Materials and Processes XXXII CY FEB 23-26, 2015 CL San Jose, CA SP SPIE, Tokyo Ohka Kogyo Amer Inc DE Peak Force Tapping; Modulus; E-beam pattern; AFM; pattern collapse; chemically amplified; bias; high resolution ID CALIBRATION; NORIA AB One of the key challenges to high resolution resist patterning is probing the resist properties at length scales commensurate with the pattern size. Using a new scanning probe microscopy (SPM), Peak Force (TM) tapping, we map exposure dependent nanoscale modulus of the exposed/developed resist patterns with sub-10 nm resolution. By innovative electron beam exposure pattern design, the SPM technique reveals that resist modulus follows the height contrast profile, but with a shift to higher exposure doses. SEM image analysis of patterned resist structures confirm that the best line-space patterns are achieved at exposure dose where modulus reaches its maximum and shows how modulus can be used to probe patternability of resist systems. C1 [Maruyama, Ken; Dhuey, Scott; Ashby, Paul; Olynick, Deirdre] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Chao, Weilun] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Maruyama, Ken] JSR Micro INC, Sunnyvale, CA 94089 USA. RP Kulshreshtha, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pdashby@lbl.gov; dlolynick@lbl.gov RI Foundry, Molecular/G-9968-2014 NR 14 TC 0 Z9 0 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-527-8 J9 PROC SPIE PY 2015 VL 9425 AR 94250I DI 10.1117/12.2086045 PG 11 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA BC6OL UT WOS:000354251700015 ER PT S AU Brutnell, TP Bennetzen, JL Vogel, JP AF Brutnell, Thomas P. Bennetzen, Jeffrey L. Vogel, John P. BE Merchant, SS TI Brachypodium distachyon and Setaria viridis: Model Genetic Systems for the Grasses SO ANNUAL REVIEW OF PLANT BIOLOGY, VOL 66 SE Annual Review of Plant Biology LA English DT Review; Book Chapter DE genomics; high-throughput sequencing; forward genetics; reverse genetics ID AGROBACTERIUM-MEDIATED TRANSFORMATION; GENOME-WIDE ASSOCIATION; BULKED SEGREGANT ANALYSIS; FOXTAIL MILLET; FOOD SECURITY; INBRED LINES; POPULATION-STRUCTURE; FUNCTIONAL GENOMICS; INDUCED MUTATIONS; AGRONOMIC TRAITS AB The family of grasses encompasses the world's most important food, feed, and bioenergy crops, yet we are only now beginning to develop the genetic resources to explore the diversity of form and function that underlies economically important traits. Two emerging model systems, Brachypodium distachyon and Setaria viridis, promise to greatly accelerate the process of gene discovery in the grasses and to serve as bridges in the exploration of panicoid and pooid grasses, arguably two of the most important clades of plants from a food security perspective. We provide both a historical view of the development of plant model systems and highlight several recent reports that are providing these developing communities with the tools for gene discovery and pathway engineering. C1 [Brutnell, Thomas P.] Donald Danforth Plant Sci Ctr, St Louis, MO 63132 USA. [Brutnell, Thomas P.] Henan Agr Univ, Collaborat Innovat Ctr Henan Grain Crops, Zhengzhou 450002, Peoples R China. [Brutnell, Thomas P.] Henan Agr Univ, Natl Key Lab Wheat & Maize Crop Sci, Zhengzhou 450002, Peoples R China. [Bennetzen, Jeffrey L.] Chinese Acad Sci, Kunming Inst Bot, Germplasm Bank Wild Species, Kunming 650201, Yunnan, Peoples R China. [Bennetzen, Jeffrey L.] Univ Georgia, Dept Genet, Athens, GA 30602 USA. [Vogel, John P.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. RP Brutnell, TP (reprint author), Donald Danforth Plant Sci Ctr, St Louis, MO 63132 USA. EM tbrutnell@danforthcenter.org; maize@uga.edu; jpvogel@lbl.gov RI Brutnell, Thomas/M-2840-2013; OI Brutnell, Thomas/0000-0002-3581-8211; Vogel, John/0000-0003-1786-2689 NR 130 TC 21 Z9 22 U1 8 U2 38 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA SN 1543-5008 BN 978-0-8243-0666-3 J9 ANNU REV PLANT BIOL JI Annu. Rev. Plant Biol. PY 2015 VL 66 BP 465 EP 485 DI 10.1146/annurev-arplant-042811-105528 PG 21 WC Plant Sciences SC Plant Sciences GA BC6AS UT WOS:000353711400019 PM 25621515 ER PT J AU Atkinson, DB Radney, JG Lum, J Kolesar, KR Cziczo, DJ Pekour, MS Zhang, Q Setyan, A Zelenyuk, A Cappa, CD AF Atkinson, D. B. Radney, J. G. Lum, J. Kolesar, K. R. Cziczo, D. J. Pekour, M. S. Zhang, Q. Setyan, A. Zelenyuk, A. Cappa, C. D. TI Aerosol optical hygroscopicity measurements during the 2010 CARES campaign SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID PARTICLE SOOT PHOTOMETER; SECONDARY ORGANIC AEROSOL; SEA SPRAY AEROSOL; RELATIVE-HUMIDITY; BLACK CARBON; LIGHT-SCATTERING; BIOGENIC EMISSIONS; HIGH-RESOLUTION; SIZE; SITE AB Measurements of the effect of water uptake on particulate light extinction or scattering made at two locations during the 2010 Carbonaceous Aerosols and Radiative Effects Study (CARES) study around Sacramento, CA are reported. The observed influence of water uptake, characterized through the dimensionless optical hygroscopicity parameter gamma, is compared with calculations constrained by observed particle size distributions and size-dependent particle composition. A closure assessment has been carried out that allowed for determination of the average hygroscopic growth factors (GFs) at 85% relative humidity and the dimensionless hygroscopicity parameter kappa for oxygenated organic aerosol (OA) and for supermicron particles (defined here as particles with aerodynamic diameters between 1 and 2.5 microns), yielding kappa = 0.1-0.15 and 0.9-1.0, respectively. The derived range of oxygenated OA kappa values are in line with previous observations. The relatively large values for supermicron particles is consistent with substantial contributions of sea-salt-containing particles in this size range. Analysis of time-dependent variations in the supermicron particle hygroscopicity suggest that atmospheric processing, specifically chloride displacement by nitrate and the accumulation of secondary organics on supermicron particles, can lead to substantial depression of the observed GF. C1 [Atkinson, D. B.; Radney, J. G.; Lum, J.] Portland State Univ, Dept Chem, Portland, OR 97207 USA. [Kolesar, K. R.; Cappa, C. D.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. [Cziczo, D. J.] MIT, Earth Atmosphere & Planetary Sci, Cambridge, MA 02139 USA. [Pekour, M. S.; Zelenyuk, A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Zhang, Q.; Setyan, A.] Univ Calif Davis, Dept Environm Toxicol, Davis, CA 95616 USA. RP Atkinson, DB (reprint author), Portland State Univ, Dept Chem, Portland, OR 97207 USA. EM atkinsdb@pdx.edu; cdcappa@ucdavis.edu RI Setyan, Ari/C-4025-2011; Zhang, Qi/F-9653-2010; OI Setyan, Ari/0000-0002-9078-6478; Radney, James/0000-0001-7324-8769 FU US Department of Energy (DOE) Office of Biological and Environmental Research (OBER), Atmospheric System Research (ASR) Program [DE-SC0008937, DE-FG02-11ER65293]; ASR; EMSL (Environmental Molecular Sciences Laboratory) - DOE-OBER; Atmospheric Radiation Measurement (ARM) Program of the DOE-OBER FX D. B. Atkinson, J. G. Radney, J. Lum, K. R. Kolesar, C. D. Cappa and Q. Zhang were supported by of the US Department of Energy (DOE) Office of Biological and Environmental Research (OBER), Atmospheric System Research (ASR) Program through Grants No. DE-SC0008937 and DE-FG02-11ER65293. A. Zelenyuk and M. S. Pekour were supported by ASR and the EMSL (Environmental Molecular Sciences Laboratory), a national scientific user facility sponsored by the DOE-OBER and located at Pacific Northwest National Laboratory. The authors thank R. Subramanian for use of the SP2 data. Additional funding for data collection at the ground sites (including of the SP2 data) was provided by the Atmospheric Radiation Measurement (ARM) Program of the DOE-OBER. NR 51 TC 4 Z9 4 U1 3 U2 29 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 8 BP 4045 EP 4061 DI 10.5194/acp-15-4045-2015 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CH2EH UT WOS:000353838000005 ER PT J AU Kim, S Kim, SY Lee, M Shim, H Wolfe, GM Guenther, AB He, A Hong, Y Han, J AF Kim, S. Kim, S. -Y. Lee, M. Shim, H. Wolfe, G. M. Guenther, A. B. He, A. Hong, Y. Han, J. TI Impact of isoprene and HONO chemistry on ozone and OVOC formation in a semirural South Korean forest SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID VOLATILE ORGANIC-COMPOUNDS; PEARL RIVER DELTA; RADICAL PROPAGATION EFFICIENCY; OH REACTIVITY MEASUREMENTS; REACTION MASS-SPECTROMETRY; METHYL VINYL KETONE; NITROUS-ACID; FIELD CAMPAIGN; AIR-QUALITY; TROPOSPHERIC DEGRADATION AB Rapid urbanization and economic development in East Asia in past decades has led to photochemical air pollution problems such as excess photochemical ozone and aerosol formation. Asian megacities such as Seoul, Tokyo, Shanghai, Guangzhou, and Beijing are surrounded by densely forested areas, and recent research has consistently demonstrated the importance of biogenic volatile organic compounds (VOCs) from vegetation in determining oxidation capacity in the suburban Asian megacity regions. Uncertainties in constraining tropospheric oxidation capacity, dominated by hydroxyl radical, undermine our ability to assess regional photochemical air pollution problems. We present an observational data set of CO, NOx, SO2, ozone, HONO, and VOCs (anthropogenic and biogenic) from Taehwa research forest (TRF) near the Seoul metropolitan area in early June 2012. The data show that TRF is influenced both by aged pollution and fresh biogenic volatile organic compound emissions. With the data set, we diagnose HOx (OH, HO2, and RO2) distributions calculated using the University of Washington chemical box model (UWCM v2.1) with near-explicit VOC oxidation mechanisms from MCM v3.2 (Master Chemical Mechanism). Uncertainty from unconstrained HONO sources and radical recycling processes highlighted in recent studies is examined using multiple model simulations with different model constraints. The results suggest that (1) different model simulation scenarios cause systematic differences in HOx distributions, especially OH levels (up to 2.5 times), and (2) radical destruction (HO2 + HO2 or HO2 + RO2) could be more efficient than radical recycling (RO2 + NO), especially in the afternoon. Implications of the uncertainties in radical chemistry are discussed with respect to ozone-VOC-NOx sensitivity and VOC oxidation product formation rates. Overall, the NOx limited regime is assessed except for the morning hours (8 a.m. to 12 p.m. local standard time), but the degree of sensitivity can significantly vary depending on the model scenarios. The model results also suggest that RO2 levels are positively correlated with oxygenated VOCs (OVOCs) production that is not routinely constrained by observations. These unconstrained OVOCs can cause higher-than-expected OH loss rates (missing OH reactivity) and secondary organic aerosol formation. The series of modeling experiments constrained by observations strongly urge observational constraint of the radical pool to enable precise understanding of regional photochemical pollution problems in the East Asian megacity region. C1 [Kim, S.; He, A.] Univ Calif Irvine, Sch Phys Sci, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Kim, S. -Y.; Hong, Y.; Han, J.] Natl Inst Environm Res, Inchon, South Korea. [Lee, M.; Shim, H.] Korean Univ, Dept Earth & Environm Sci, Seoul, South Korea. [Wolfe, G. M.] Univ Maryland, Joint Ctr Earth Syst Technol, Baltimore, MD 21201 USA. [Wolfe, G. M.] NASA, Goddard Space Flight Ctr, Atmospher Chem & Dynam Lab, Greenbelt, MD 20771 USA. [Guenther, A. B.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Kim, S (reprint author), Univ Calif Irvine, Sch Phys Sci, Dept Earth Syst Sci, Irvine, CA 92697 USA. EM saewungk@uci.edu RI Kim, Saewung/E-4089-2012; Wolfe, Glenn/D-5289-2011 FU National Institute of Environmental Research of South Korea FX This research is financially supported by the National Institute of Environmental Research of South Korea. The authors appreciate logistical support from the research and supporting staff at Taehwa research forest operated by Seoul National University. NR 91 TC 5 Z9 5 U1 22 U2 74 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2015 VL 15 IS 8 BP 4357 EP 4371 DI 10.5194/acp-15-4357-2015 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CH2EH UT WOS:000353838000023 ER PT S AU DeVore, MS Stich, DG Keller, AM Ghosh, Y Goodwin, PM Phipps, ME Stewart, MH Cleyrat, C Wilson, BS Lidke, DS Hollingsworth, JA Werner, JH AF DeVore, Matthew S. Stich, Dominik G. Keller, Aaron M. Ghosh, Yagnaseni Goodwin, Peter M. Phipps, Mary E. Stewart, Michael H. Cleyrat, Cedric Wilson, Bridget S. Lidke, Diane S. Hollingsworth, Jennifer A. Werner, James H. BE Parak, WJ Osinski, M Liang, XJ TI Three dimensional time-gated tracking of non-blinking quantum dots in live cells SO COLLOIDAL NANOPARTICLES FOR BIOMEDICAL APPLICATIONS X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Colloidal Nanoparticles for Biomedical Applications X CY FEB 07-09, 2015 CL San Francisco, CA SP SPIE, Ocean Opt Inc DE Single particle tracking; time-gating; quantum dot; microscopy ID SINGLE-PARTICLE TRACKING; SHELL-THICKNESS; 3 DIMENSIONS; NANOCRYSTALS; FLUORESCENCE; DYNAMICS; PHOTOLUMINESCENCE; SUPPRESSION; PRECISION; MEMBRANE AB Single particle tracking has provided a wealth of information about biophysical processes such as motor protein transport and diffusion in cell membranes. However, motion out of the plane of the microscope or blinking of the fluorescent probe used as a label generally limits observation times to several seconds. Here, we overcome these limitations by using novel non-blinking quantum dots as probes and employing a custom 3D tracking microscope to actively follow motion in three dimensions (3D) in live cells. Signal-to-noise is improved in the cellular milieu through the use of pulsed excitation and time-gated detection. C1 [DeVore, Matthew S.; Stich, Dominik G.; Keller, Aaron M.; Ghosh, Yagnaseni; Goodwin, Peter M.; Phipps, Mary E.; Hollingsworth, Jennifer A.; Werner, James H.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Stewart, Michael H.] US Naval Res Lab, Div Opt Sci, Washington, DC 20375 USA. [Cleyrat, Cedric; Wilson, Bridget S.; Lidke, Diane S.] Univ New Mexico, Dept Pathol, Albuquerque, NM 87131 USA. [Cleyrat, Cedric; Wilson, Bridget S.; Lidke, Diane S.] Univ New Mexico, Canc Res & Treatment Ctr, Albuquerque, NM 87131 USA. RP DeVore, MS (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. RI Cleyrat, Cedric/F-1824-2016 OI Cleyrat, Cedric/0000-0002-1928-6497 NR 54 TC 1 Z9 1 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-428-8 J9 PROC SPIE PY 2015 VL 9338 AR 933812 DI 10.1117/12.2082943 PG 15 WC Engineering, Biomedical; Nanoscience & Nanotechnology; Optics SC Engineering; Science & Technology - Other Topics; Optics GA BC6NI UT WOS:000354173600014 ER PT S AU Ji, X Makarov, NS Wang, WT Palui, G Robel, I Mattoussi, H AF Ji, Xin Makarov, Nikolay S. Wang, Wentao Palui, Goutam Robel, Istvan Mattoussi, Hedi BE Parak, WJ Osinski, M Liang, XJ TI Understanding the Redox Coupling between Quantum Dots and the Neurotransmitter Dopamine in Hybrid Self-assemblies SO COLLOIDAL NANOPARTICLES FOR BIOMEDICAL APPLICATIONS X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Colloidal Nanoparticles for Biomedical Applications X CY FEB 07-09, 2015 CL San Francisco, CA SP SPIE, Ocean Opt Inc DE Quantum Dot; Dopamine; Charge Transfer; Electron and Hole Carriers; Transient Absorption ID MULTIFUNCTIONAL LIGANDS; BIOLOGICAL-SYSTEMS; IN-VITRO; NANOCRYSTALS; SEMICONDUCTOR; CDSE; PH; STABILITY; QDS AB Interactions between luminescent fluorophores and redox active molecules often involve complex charge transfer processes, and have great ramifications in biology. Dopamine is a redox active neurotransmitter involved in a range of brain activities. We used steady-state and time-resolved fluorescence along with transient absorption bleach measurements, to probe the effects of changing the QD size and valence on the rate of photoluminescence quenching in QD-dopamine conjugates, when the pH of the medium was varied. In particular, we measured substantially larger quenching efficiencies, combined with more pronounced shortening in the PL lifetime decay when smaller size QDs and/or alkaline pH were used. Moreover, we found that changes in the nanocrystal size alter both the electron and hole relaxation of photoexcited QDs but with very different extents. For instance, a more pronounced change in the hole relaxation was recorded in alkaline buffers and for green-emitting QDs compared to their red-emitting counterparts. We attributed these results to the more favorable electron transfer pathway from the reduced form of the complex to the valence band of the QD. This process benefits from the combination of lower oxidation potential and larger energy mismatch in alkaline buffers and for green-emitting QDs. In comparison, the effects on the rate of electron transfer from excited QDs to dopamine are less affected by QD size. These findings provide new insights into the mechanisms that drive charge transfer interactions and the ensuing quenching of QD emission in such assemblies. C1 [Ji, Xin; Wang, Wentao; Palui, Goutam; Mattoussi, Hedi] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. [Makarov, Nikolay S.; Robel, Istvan] Los Alamos Natl Lab, Ctr Adv Solar Photophys, Div Chem, Los Alamos, NM 87545 USA. RP Ji, X (reprint author), Florida State Univ, Dept Chem & Biochem, 95 Chieftan Way, Tallahassee, FL 32306 USA. NR 23 TC 0 Z9 0 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-428-8 J9 PROC SPIE PY 2015 VL 9338 AR 93380N DI 10.1117/12.2077876 PG 8 WC Engineering, Biomedical; Nanoscience & Nanotechnology; Optics SC Engineering; Science & Technology - Other Topics; Optics GA BC6NI UT WOS:000354173600008 ER PT J AU Baca, SG Speldrich, M van Leusen, J Ellern, A Kogerler, P AF Baca, Svetlana G. Speldrich, Manfred van Leusen, Jan Ellern, Arkady Koegerler, Paul TI Undecametallic and hexadecametallic ferric oxo-hydroxo/ethoxo pivalate clusters SO DALTON TRANSACTIONS LA English DT Article ID CORROSION-INHIBITOR; IRON(III); IRON; LIGANDS; COMPLEXES; AGGREGATE; CORE; MODE AB Synthesis strategies for highly condensed {Fe-11} and {Fe-16} pivalate clusters have been developed based on archetypal geometrically frustrated triangular {Fe-3(mu(3)-O)} motifs that are interlinked via oxo, hydroxo, ethoxo, and carboxylate groups. C1 [Baca, Svetlana G.; Speldrich, Manfred; van Leusen, Jan; Koegerler, Paul] Rhein Westfal TH Aachen, Inst Inorgan Chem, Aachen, Germany. [Baca, Svetlana G.] ASM, Inst Appl Phys, Kishinev, Moldova. [Ellern, Arkady] Iowa State Univ, Ames Lab, Ames, IA USA. [Koegerler, Paul] Res Ctr Julich, Peter Grunberg Inst 6, Julich, Germany. RP Baca, SG (reprint author), Rhein Westfal TH Aachen, Inst Inorgan Chem, Aachen, Germany. EM sbaca_md@yahoo.com; paul.koegerler@ac.rwth-aachen.de RI Speldrich, Manfred/P-3615-2016; Kogerler, Paul/H-5866-2013; OI Speldrich, Manfred/0000-0002-8626-6410; Kogerler, Paul/0000-0001-7831-3953; Baca, Svetlana/0000-0002-2121-2091 FU EU (POLYMAG, IIF contract) [252984]; EU (ERC Starting Grant MOLSPINTRON); EU (COST Action) [COST-STSM-CM1203-19097, CM1203] FX Financial support from the EU (POLYMAG, IIF contract no. 252984; ERC Starting Grant MOLSPINTRON; COST Action CM1203, COST-STSM-CM1203-19097) is acknowledged. NR 19 TC 3 Z9 3 U1 1 U2 5 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 2015 VL 44 IS 17 BP 7777 EP 7780 DI 10.1039/c5dt00665a PG 4 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CG9NO UT WOS:000353642800011 PM 25847453 ER PT J AU Essehli, R Belharouak, I Ben Yahia, H Maher, K Abouimrane, A Orayech, B Calder, S Zhou, XL Zhou, Z Sun, YK AF Essehli, R. Belharouak, I. Ben Yahia, H. Maher, K. Abouimrane, A. Orayech, B. Calder, S. Zhou, X. L. Zhou, Z. Sun, Y-K. TI Alluaudite Na2Co2Fe(PO4)(3) as an electroactive material for sodium ion batteries SO DALTON TRANSACTIONS LA English DT Article ID BOND-VALENCE PARAMETERS; LITHIUM BATTERIES; ELECTRODE MATERIALS; ANODE MATERIAL; CAPACITY; CATHODE; STABILITY; PHOSPHATE; NA2FEPO4F; PHASES AB The electroactive orthophosphate Na2Co2Fe(PO4)(3) was synthesized using a solid state reaction. Its crystal structure was solved using the combination of powder X-ray-and neutron-diffraction data. This material crystallizes according to the alluaudite structure (S.G. C2/c). The structure consists of edge sharing [MO6] octahedra (M = Fe, Co) resulting in chains parallel to [-101]. These chains are linked together via the [PO4] tetrahedra to form two distinct tunnels in which sodium cations are located. The electrochemical properties of Na2Co2Fe(PO4)(3) were evaluated by galvanostatic charge-discharge cycling. During the first discharge to 0.03 V, Na2Co2Fe(PO4)(3) delivers a specific capacity of 604 mA h g(-1). This capacity is equivalent to the reaction of more than seven sodium ions per formula unit. Hence, this is a strong indication of a conversion-type reaction with the formation of metallic Fe and Co. The subsequent charge and discharge involved the reaction of fewer Na ions as expected for a conversion reaction. When discharged to 0.9 V, the material intercalated only one Na+-ion leading to the formation of a new phase Na3Co2Fe(PO4)(3). This phase could then be cycled reversibly with an average voltage of 3.6 V vs. Na+/Na and a capacity of 110 mA h g(-1). This result is in good agreement with the theoretical capacity expected from the extraction/insertion of two sodium atoms in Na2Co2Fe(PO4)(3). C1 [Essehli, R.; Belharouak, I.; Ben Yahia, H.; Maher, K.; Abouimrane, A.] Qatar Fdn, Qatar Environm & Energy Res Inst, Doha, Qatar. [Orayech, B.] Univ Basque Country, Dept Fis Mat Condensada, E-48080 Bilbao, Spain. [Calder, S.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Zhou, X. L.; Zhou, Z.] Nankai Univ, Inst New Energy Mat Chem, Tianjin 300071, Peoples R China. [Sun, Y-K.] Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea. RP Essehli, R (reprint author), Qatar Fdn, Qatar Environm & Energy Res Inst, POB 5825, Doha, Qatar. EM ressehli@qf.org.qa; ibelharouak@qf.org.qa; Hyahia@qf.org.qa RI Orayech, Brahim/P-4728-2014; Zhou, Zhen/C-4517-2008; OI Orayech, Brahim/0000-0003-3707-7645; Zhou, Zhen/0000-0003-3232-9903; Essehli, Rachid/0000-0002-1160-9159 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX Neutron diffraction was conducted at ORNL's High Flux Isotope Reactor sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The authors thanks Prof. B. El Bali for the fruitful discussion, and Dr. H. Cao for helping in collecting the NPD data. NR 30 TC 5 Z9 5 U1 5 U2 56 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 2015 VL 44 IS 17 BP 7881 EP 7886 DI 10.1039/c5dt00971e PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CG9NO UT WOS:000353642800024 PM 25824572 ER PT J AU Bryantsev, VS Hay, BP AF Bryantsev, Vyacheslav S. Hay, Benjamin P. TI Theoretical prediction of Am(III)/Eu(III) selectivity to aid the design of actinide-lanthanide separation agents SO DALTON TRANSACTIONS LA English DT Article ID ENERGY-ADJUSTED PSEUDOPOTENTIALS; TRIVALENT ACTINIDES; DITHIOPHOSPHINIC ACIDS; NITROGEN LIGANDS; AQUO IONS; COMPLEXATION; EXTRACTION; DENSITY; ELEMENTS; APPROXIMATION AB Selective extraction of minor actinides from lanthanides is a critical step in the reduction of radiotoxicity of spent nuclear fuels. However, the design of suitable ligands for separating chemically similar 4f- and 5f-block trivalent metal ions poses a significant challenge. First-principles calculations should play an important role in the design of new separation agents, but their ability to predict metal ion selectivity has not been systematically evaluated. In this work, we examine the ability of several density functional theory methods to predict selectivity of Am(III) and Eu(III) with oxygen, mixed oxygen-nitrogen, and sulfur donor ligands. The results establish a computational method capable of predicting the correct order of selectivities obtained from liquid-liquid extraction and aqueous phase complexation studies. To allow reasonably accurate predictions, it was critical to employ sufficiently flexible basis sets and provide proper account of solvation effects. The approach is utilized to estimate the selectivity of novel amide-functionalized diazine and 1,2,3-triazole ligands. C1 [Bryantsev, Vyacheslav S.; Hay, Benjamin P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Bryantsev, VS (reprint author), Oak Ridge Natl Lab, Div Chem Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM bryantsevv@ornl.gov RI Bryantsev, Vyacheslav/M-5111-2016 OI Bryantsev, Vyacheslav/0000-0002-6501-6594 FU Fuel Cycle Research and Development Program, Office of Nuclear Energy, U.S. Department of Energy; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; National Energy Research Scientific Computing Center FX We are thankful to Dr Wei-Qun Shi (Institute of High Energy Physics, Beijing, China) for providing us with the optimized coordinated of M(H2O)n(NO3)3 (n = 2-4) clusters. This research was sponsored by the Fuel Cycle Research and Development Program, Office of Nuclear Energy, U.S. Department of Energy and used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 55 TC 4 Z9 4 U1 10 U2 46 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 2015 VL 44 IS 17 BP 7935 EP 7942 DI 10.1039/c4dt03275f PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CG9NO UT WOS:000353642800031 PM 25824656 ER PT J AU Yang, YQ Liu, J Yang, L Li, K Zhang, HB Luo, SZ Rao, LF AF Yang, Yanqiu Liu, Jun Yang, Liang Li, Kun Zhang, Huabei Luo, Shunzhong Rao, Linfeng TI Probing the difference in covalence by enthalpy measurements: a new heterocyclic N-donor ligand for actinide/lanthanide separation SO DALTON TRANSACTIONS LA English DT Article ID EQUILIBRIUM-CONSTANTS; SELECTIVE EXTRACTION; CURIUM COMPLEXATION; TRIVALENT ACTINIDES; LANTHANIDES; SOLVATION; CM(III); AMERICIUM(III); SPECTROSCOPY; SPECIATION AB Complexation of Am(III), Nd(III), and Eu(III) with a new heterocyclic nitrogen-donor ligand, 2,9-di(quinazolin-2-yl)-1,10-phenanthroline (denoted as BQPhen in this paper), was studied by thermodynamic measurements and theoretical computations. The stability constants of two successive complexes in dimethylformamide, ML3+ and ML23+ where M stands for Nd, Eu, or Am while L stands for the BQPhen ligand, were determined by absorption spectrophotometry. The enthalpy of complexation was determined by microcalorimetry. Results show that BQPhen forms ten times stronger complexes with Am(III) than Eu(III) or Nd(III) under identical conditions, suggesting that BQPhen could be used as an efficient extractant for the separations of trivalent actinides from lanthanides. The higher binding strength of BQPhen towards Am(III) than Nd(III) or Eu(III) is mainly due to the more favourable enthalpy of complexation for Am(III)/BQPhen complexes, implying a higher degree of covalence in the Am(III)/BQPhen complexes than the lanthanide(III)/BQPhen complexes. The thermodynamic trend was corroborated with computational results and validated by solvent extraction experiments that demonstrated BQPhen preferably extracted Am(III) more than Eu(III), with a separation factor of about 10. Discussions have been made to compare BQPhen with other phenanthroline derivatives such as CyMe4-BTPhen, a bis-triazine-phenanthroline derivative that was reported in the literature. Data suggest that, under identical conditions, BQPhen would form stronger complexes with Am(III), Eu(III), and Nd(III) than CyMe4-BTPhen. C1 [Yang, Yanqiu; Liu, Jun; Yang, Liang; Luo, Shunzhong] CAEP, Inst Nucl Phys & Chem, Mianyang 621900, Sichuan, Peoples R China. [Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Li, Kun] Sichuan Univ, Coll Chem, Chengdu 610065, Sichuan, Peoples R China. [Zhang, Huabei] Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China. RP Luo, SZ (reprint author), CAEP, Inst Nucl Phys & Chem, 64 Mianshan Rd, Mianyang 621900, Sichuan, Peoples R China. EM luoshzh@caep.ac.cn; lrao@lbl.gov FU Office of Science, Office of Basic Energy Science of the U.S. Department of Energy (DOE) at LBNL [DE-AC02-05CH11231]; National Science Foundation of China [91026022] FX The spectrophotometric and calorimetric experiments were conducted at Lawrence Berkeley National Laboratory (LBNL) and were supported by the Director, Office of Science, Office of Basic Energy Science of the U.S. Department of Energy (DOE), under contract No. DE-AC02-05CH11231 at LBNL. Y. Yang thanks for the support from the National Science Foundation of China (grant no. 91026022). The organic synthesis of the ligand and the DFT computation were conducted, respectively, at Sichuan University and Beijing Normal University. NR 52 TC 4 Z9 4 U1 12 U2 27 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 2015 VL 44 IS 19 BP 8959 EP 8970 DI 10.1039/c5dt00679a PG 12 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CH7GH UT WOS:000354203400027 PM 25875899 ER PT J AU Dong, YK Eckert, B Wang, H Zeng, XY Tritt, TM Nolas, GS AF Dong, Yongkwan Eckert, Brian Wang, Hsin Zeng, Xiaoyu Tritt, Terry M. Nolas, George S. TI Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 <= x <= 0.4) SO DALTON TRANSACTIONS LA English DT Article ID THERMOELECTRIC PROPERTIES; SOLID-SOLUTIONS; NANOCRYSTALS; CU2ZNSNSE4; CU2CDSNSE4; DISORDER AB Quaternary chalcogenides, particular compounds with the stannite structure-type, are of interest for thermoelectrics applications however tellurium-containing compositions have not been extensively investigated. We report on the synthesis and high temperature thermoelectric properties of p-type stannites Cu2.2Zn0.8SnSe4-xTex (x = 0.1, 0.2, 0.3, and 0.4). The compositions for each specimen were confirmed with a combination of Rietveld refinement and elemental analysis. Hall measurements indicate that holes are the dominant charge carriers in these materials. The electrical resistivity shows little temperature dependence up to 500 K and then increases with increasing temperature. The thermal conductivity decreases with increasing temperature with no indication of increase at higher temperatures suggesting a minimal bipolar diffusion effect in the thermal conductivity although these materials possess relatively small band-gaps as compared to that of other stannite compositions. A maximum ZT value of 0.56 was obtained at 700 K for Cu2.2Zn0.8SnSe3.7Te0.3 due to a relatively high Seebeck coefficient and low thermal conductivity. C1 [Dong, Yongkwan; Eckert, Brian; Nolas, George S.] Univ S Florida, Dept Phys, Tampa, FL 33620 USA. [Wang, Hsin] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Zeng, Xiaoyu; Tritt, Terry M.] Clemson Univ, Dept Phys & Astron, Kinard Lab, Clemson, SC 29634 USA. RP Nolas, GS (reprint author), Univ S Florida, Dept Phys, Tampa, FL 33620 USA. EM gnolas@usf.edu RI Wang, Hsin/A-1942-2013 OI Wang, Hsin/0000-0003-2426-9867 FU National Science Foundation [DMR-1400957]; KAUST Faculty Initiated Collaboration grant; Clemson University; [DE-AC05000OR22725] FX The work was supported by the National Science Foundation grant no. DMR-1400957. H.W. would like to thank the support of the assistant secretary for Energy Efficiency and Renewable Energy of the Department of Energy and the Propulsion Materials program under the Vehicle Technologies program. Oak Ridge National Laboratory is managed by UT-Battelle LLC under contract DE-AC05000OR22725. The work in Dr Tritt's laboratory acknowledges, in a small part, the support of a KAUST Faculty Initiated Collaboration grant and also internal funding from Clemson University. NR 27 TC 2 Z9 2 U1 2 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 EI 1477-9234 J9 DALTON T JI Dalton Trans. PY 2015 VL 44 IS 19 BP 9014 EP 9019 DI 10.1039/c5dt00910c PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CH7GH UT WOS:000354203400032 PM 25883041 ER PT S AU Lukishova, SG Liapis, AC Bissell, LJ Gehring, GM Winkler, JM Boyd, RW AF Lukishova, Svetlana G. Liapis, Andreas C. Bissell, Luke J. Gehring, George M. Winkler, Justin M. Boyd, Robert W. BE Chien, LC Coles, HJ Kikuchi, H Smalyukh, II TI Single-photon experiments with liquid crystals for quantum science and quantum engineering applications SO EMERGING LIQUID CRYSTAL TECHNOLOGIES X SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Photonics West Conference on Emerging Liquid Crystal Technologies X CY FEB 09-11, 2015 CL San Francisco, CA SP SPIE DE Polarized single-photon source; antibunching; nanocrystal quantum dots; cholesteric liquid crystals; Hong-Ou-Mandel interferometer; entangled photons; quantum mechanical barrier tunneling time; double-prism structure; frustrated total internal reflection ID HIGH-POWER; SELECTIVE REFLECTION; DOT FLUORESCENCE; TUNNELING TIME; POLARIZATION; RESONANCE; OPTICS; DYE; PERFORMANCE; HOST AB We present here our results on using liquid crystals in experiments with nonclassical light sources: (1) single-photon sources exhibiting antibunching (separation of all photons in time), which are key components for secure quantum communication systems, and (2) entangled photon source with photons exhibiting quantum interference in a Hong-Ou-Mandel interferometer. In the first part, cholesteric liquid crystal hosts were used to create definite circular polarization of antibunched photons emitted by nanocrystal quantum dots. If the photon has unknown polarization, filtering it through a polarizer to produce the desired polarization for quantum key distribution with bits based on polarization states of photons will reduce by half the efficiency of a quantum cryptography system. In the first part, we also provide our results on observation of a circular polarized microcavity resonance in nanocrystal quantum dot fluorescence in a 1-D chiral photonic bandgap cholesteric liquid crystal microcavity. In the second part of this paper with indistinguishable, time-entangled photons, we demonstrate our experimental results on simulating quantum-mechanical barrier tunnelling phenomena. A Hong-Ou-Mandel dip (quantum interference effect) is shifted when a phase change was introduced on the way of one of entangled photons in pair (one arm of the interferometer) by inserting in this arm an electrically controlled planar-aligned nematic liquid crystal layer between two prisms in the conditions close to a frustrated total internal reflection. By applying different AC-voltages to the planar-aligned nematic layer and changing its refractive index, we can obtain various conditions for incident photon propagation - from total reflection to total transmission. Measuring changes of tunnelling times of photon through this structure with femtosecond resolution permitted us to answer some unresolved questions in quantum-mechanical barrier tunnelling phenomena. C1 [Lukishova, Svetlana G.; Liapis, Andreas C.; Gehring, George M.; Boyd, Robert W.] Univ Rochester, Inst Opt, Rochester, NY 14627 USA. [Lukishova, Svetlana G.] Natl Res Nucl Univ MEPhI, Moscow, Russia. [Liapis, Andreas C.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Bissell, Luke J.] Air Force Res Lab, Wright Patterson Air Force Base, Wright Patterson AFB, OH USA. [Winkler, Justin M.; Boyd, Robert W.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [Boyd, Robert W.] Univ Ottawa, Dept Phys, Ottawa, ON K1N 6N5, Canada. [Boyd, Robert W.] Univ Ottawa, Sch Elect Engn & Comp Sci, Ottawa, ON, Canada. RP Lukishova, SG (reprint author), Univ Rochester, Inst Opt, 601 Elmwood Ave, Rochester, NY 14627 USA. EM sluk@lle.rochester.edu OI Liapis, Andreas/0000-0001-6810-3354 NR 72 TC 0 Z9 0 U1 2 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-474-5 J9 PROC SPIE PY 2015 VL 9384 AR 93840A DI 10.1117/12.2184372 PG 16 WC Crystallography; Engineering, Electrical & Electronic; Optics; Physics, Applied SC Crystallography; Engineering; Optics; Physics GA BC6FB UT WOS:000353888500003 ER PT S AU Anderson, BM Venus, G Ott, D Divliansky, I Dawson, JW Drachenberg, DR Messerly, MJ Pax, PH Tassano, JB Glebov, LB AF Anderson, B. M. Venus, G. Ott, D. Divliansky, I. Dawson, J. W. Drachenberg, D. R. Messerly, M. J. Pax, P. H. Tassano, J. B. Glebov, L. B. BE Shaw, LB Ballato, J TI Brightness enhancement of a multi-mode ribbon fiber using transmitting Bragg gratings SO FIBER LASERS XII: TECHNOLOGY, SYSTEMS, AND APPLICATIONS SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Lasers XII - Technology, Systems, and Applications CY FEB 09-12, 2015 CL San Francisco, CA SP SPIE, NKT Photon A S, PolarOnyx Inc DE Volume Bragg grating; transverse mode; resonator; ribbon fiber; PTR glass ID TRANSVERSE-MODE COMPETITION; LASERS; POWER; AMPLIFIERS; OPERATION; BEAM AB Increasing the dimensions of a waveguide provides the simplest means of reducing detrimental nonlinear effects, but such systems are inherently multi-mode, reducing the brightness of the system. Furthermore, using rectangular dimensions allows for improved heat extraction, as well as uniform temperature profile within the core. We propose a method of using the angular acceptance of a transmitting Bragg grating (TBG) to filter the fundamental mode of a fiber laser resonator, and as a means to increase the brightness of multi-mode fiber laser. Numerical modeling is used to calculate the diffraction losses needed to suppress the higher order modes in a laser system with saturable gain. The model is tested by constructing an external cavity resonator using an ytterbium doped ribbon fiber with core dimensions of 107.8 mu m by 8.3 mu m as the active medium. We show that the TBG increases the beam quality of the system from M-2 = 11.3 to M-2 = 1.45, while reducing the slope efficiency from 76% to 53%, overall increasing the brightness by 5.1 times. C1 [Anderson, B. M.; Venus, G.; Ott, D.; Divliansky, I.; Glebov, L. B.] Univ Cent Florida, Coll Opt & Photon, CREOL, Orlando, FL 32816 USA. [Dawson, J. W.; Drachenberg, D. R.; Messerly, M. J.; Pax, P. H.; Tassano, J. B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Anderson, BM (reprint author), Univ Cent Florida, Coll Opt & Photon, CREOL, POB 162700, Orlando, FL 32816 USA. NR 19 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-434-9 J9 PROC SPIE PY 2015 VL 9344 AR 93441W DI 10.1117/12.2079358 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6EZ UT WOS:000353887400047 ER PT J AU Mernild, SH Malmros, JK Yde, JC De Villiers, S Knudsen, NT Wilson, R AF Mernild, Sebastian H. Malmros, Jeppe K. Yde, Jacob C. De Villiers, Simon Knudsen, Niels Tvis Wilson, Ryan TI Glacier changes in the circumpolar Arctic and sub-Arctic, mid-1980s to late-2000s/2011 SO GEOGRAFISK TIDSSKRIFT-DANISH JOURNAL OF GEOGRAPHY LA English DT Article DE area change; Arctic; glacier and ice caps; Landsat; length change; remote sensing ID SURFACE MASS-BALANCE; SEA-LEVEL RISE; SOUTHEAST GREENLAND; MITTIVAKKAT GLETSCHER; NOVAYA-ZEMLYA; INVENTORY; CANADA; VOLUME; ISLAND; AREA AB A new inventory record of satellite-derived area, length, elevation range and surface slope changes from the mid-1980s to late 2000s/2011 for 317 land-terminating glaciers and ice caps (GIC) is presented. The investigated GIC are located in 12 geographic regions throughout the circumpolar Arctic and sub-Arctic. This geographic subdivision allows us to examine regional variations in recent glacier changes. The method is based on a semi-automated classification approach which extracts GIC extent from satellite scenes. Most of the observed GIC show a reduction in area, length, elevation range and slope. On regional scale, the observed GIC changed in area between -4 +/- 3% (Nuuk, West Greenland; 1987-2003) and -40 +/- 4% (Talkeetna, southern Alaska; 1987-2011), equal to shrinking rates between -0.2% yr(-1) and -1.7% yr(-1). The regional change in length was between -36 +/- 13 m (southern British Columbia; 1985-2011) and -481 +/- 85 m (southern Ellesmere Island; 1988-2009), equal to -1 +/- 0.5 m yr(-1) and -23 +/- 4 m yr(-1). Regional GIC changes can be illustrated by power-law scaling relationships between GIC area and length, elevation range, and surface slope. Here, we find regional variability in scaling parameters in both time and space, which should be considered when estimating global assessments of GIC conditions and changes over time. C1 [Mernild, Sebastian H.; Malmros, Jeppe K.; Wilson, Ryan] Ctr Sci Studies, Glaciol & Climate Change Lab, Valdivia, Chile. [Mernild, Sebastian H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Computat Phys & Methods, Los Alamos, NM USA. [Malmros, Jeppe K.] Univ Copenhagen, Dept Geosci & Nat Resource Management, Copenhagen, Denmark. [Yde, Jacob C.; De Villiers, Simon] Sogn & Fjordane Univ Coll, Fac Engn & Sci, Sogndal, Norway. [Knudsen, Niels Tvis] Aarhus Univ, Dept Geosci, Aarhus, Denmark. RP Mernild, SH (reprint author), Ctr Sci Studies, Glaciol & Climate Change Lab, Valdivia, Chile. EM mernild@cecs.cl OI Yde, Jacob Clement/0000-0002-6211-2601 FU Earth System Modelling program within the U.S. Department of Energy's Office of Science; Los Alamos National Laboratory (LANL); European Community [262693]; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX We extend a very special thanks to the anonymous reviewers for their insightful critique of this article. This work was supported partly by the Earth System Modelling program within the U.S. Department of Energy's Office of Science, by Los Alamos National Laboratory (LANL), and by the European Community's Seventh Framework Programme under grant agreement No. 262693. LANL is operated under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396). All satellite data were acquired through the USGS Earth Explorer internet portal (http://earthexplorer.usgs.gov/). NR 68 TC 0 Z9 0 U1 2 U2 10 PU ROYAL DANISH GEOGRAPHICAL SOC PI COPENHAGEN K PA OSTER VOLDGADE 10, COPENHAGEN K, DK 1350, DENMARK SN 0016-7223 EI 1903-2471 J9 GEOGR TIDSSKR-DEN JI Geogr. Tidsskr. PY 2015 VL 115 IS 1 BP 39 EP 56 DI 10.1080/00167223.2015.1026917 PG 18 WC Environmental Studies; Geography SC Environmental Sciences & Ecology; Geography GA CH4ZE UT WOS:000354042500004 ER PT J AU Hartin, CA Patel, P Schwarber, A Link, RP Bond-Lamberty, BP AF Hartin, C. A. Patel, P. Schwarber, A. Link, R. P. Bond-Lamberty, B. P. TI A simple object-oriented and open-source model for scientific and policy analyses of the global climate system - Hector v1.0 SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID GREENHOUSE-GAS CONCENTRATIONS; CARBON-CYCLE MODELS; SEA-LEVEL RISE; ATMOSPHERIC CO2; POLAR AMPLIFICATION; LAND-USE; OCEAN; STABILIZATION; TEMPERATURE; SENSITIVITY AB Simple climate models play an integral role in the policy and scientific communities. They are used for climate mitigation scenarios within integrated assessment models, complex climate model emulation, and uncertainty analyses. Here we describe Hector v1.0, an open source, object-oriented, simple global climate carbon-cycle model. This model runs essentially instantaneously while still representing the most critical global-scale earth system processes. Hector has a three-part main carbon cycle: a one-pool atmosphere, land, and ocean. The model's terrestrial carbon cycle includes primary production and respiration fluxes, accommodating arbitrary geographic divisions into, e.g., ecological biomes or political units. Hector actively solves the inorganic carbon system in the surface ocean, directly calculating air-sea fluxes of carbon and ocean pH. Hector reproduces the global historical trends of atmospheric [CO2], radiative forcing, and surface temperatures. The model simulates all four Representative Concentration Pathways (RCPs) with equivalent rates of change of key variables over time compared to current observations, MAGICC (a well-known simple climate model), and models from the 5th Coupled Model Inter-comparison Project. Hector's flexibility, open-source nature, and modular design will facilitate a broad range of research in various areas. C1 [Hartin, C. A.; Patel, P.; Link, R. P.; Bond-Lamberty, B. P.] Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Schwarber, A.] Univ Maryland, College Pk, MD 20742 USA. RP Hartin, CA (reprint author), Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court, College Pk, MD 20740 USA. EM corinne.hartin@pnnl.gov RI Bond-Lamberty, Ben/C-6058-2008 OI Bond-Lamberty, Ben/0000-0001-9525-4633 FU US Department of Energy, Office of Science, Integrated Assessment Research Program; DOE [DE-AC05-76RL01830] FX This research is based on work supported by the US Department of Energy, Office of Science, Integrated Assessment Research Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 84 TC 1 Z9 1 U1 0 U2 7 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2015 VL 8 IS 4 BP 939 EP 955 DI 10.5194/gmd-8-939-2015 PG 17 WC Geosciences, Multidisciplinary SC Geology GA CH2FT UT WOS:000353841800001 ER PT J AU Bilionis, I Drewniak, BA Constantinescu, EM AF Bilionis, I. Drewniak, B. A. Constantinescu, E. M. TI Crop physiology calibration in the CLM SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID ENSEMBLE KALMAN FILTER; EARTH SYSTEM MODEL; MAIZE; EXCHANGE AB Farming is using more of the land surface, as population increases and agriculture is increasingly applied for non-nutritional purposes such as biofuel production. This agricultural expansion exerts an increasing impact on the terrestrial carbon cycle. In order to understand the impact of such processes, the Community Land Model (CLM) has been augmented with a CLM-Crop extension that simulates the development of three crop types: maize, soybean, and spring wheat. The CLM-Crop model is a complex system that relies on a suite of parametric inputs that govern plant growth under a given atmospheric forcing and available resources. CLM-Crop development used measurements of gross primary productivity (GPP) and net ecosystem exchange (NEE) from AmeriFlux sites to choose parameter values that optimize crop productivity in the model. In this paper, we calibrate these parameters for one crop type, soybean, in order to provide a faithful projection in terms of both plant development and net carbon exchange. Calibration is performed in a Bayesian framework by developing a scalable and adaptive scheme based on sequential Monte Carlo (SMC). The model showed significant improvement of crop productivity with the new calibrated parameters. We demonstrate that the calibrated parameters are applicable across alternative years and different sites. C1 [Bilionis, I.; Constantinescu, E. M.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Drewniak, B. A.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. RP Constantinescu, EM (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM emconsta@mcs.anl.gov FU Office of Biological and Environmental Research, US Department of Energy [DE-AC02-06CH11357] FX This work was supported by the Office of Biological and Environmental Research, US Department of Energy, under contract DE-AC02-06CH11357. 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 29 TC 4 Z9 4 U1 0 U2 15 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2015 VL 8 IS 4 BP 1071 EP 1083 DI 10.5194/gmd-8-1071-2015 PG 13 WC Geosciences, Multidisciplinary SC Geology GA CH2FT UT WOS:000353841800007 ER PT J AU Tezaur, IK Perego, M Salinger, AG Tuminaro, RS Price, SF AF Tezaur, I. K. Perego, M. Salinger, A. G. Tuminaro, R. S. Price, S. F. TI Albany/FELIX: a parallel, scalable and robust, finite element, first-order Stokes approximation ice sheet solver built for advanced analysis SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID PARTIAL-DIFFERENTIAL-EQUATIONS; EMBEDDED ANALYSIS CAPABILITIES; MANAGING SOFTWARE COMPLEXITY; SEA-LEVEL RISE; HIGHER-ORDER; MULTIPHYSICS SIMULATION; DATA ASSIMILATION; MULTIGRID METHOD; FLOW MODELS; GREENLAND AB This paper describes a new parallel, scalable and robust finite element based solver for the first-order Stokes momentum balance equations for ice flow. The solver, known as Albany/FELIX, is constructed using the component-based approach to building application codes, in which mature, modular libraries developed as a part of the Trilinos project are combined using abstract interfaces and template-based generic programming, resulting in a final code with access to dozens of algorithmic and advanced analysis capabilities. Following an overview of the relevant partial differential equations and boundary conditions, the numerical methods chosen to discretize the ice flow equations are described, along with their implementation. The results of several verification studies of the model accuracy are presented using (1) new test cases for simplified two-dimensional (2-D) versions of the governing equations derived using the method of manufactured solutions, and (2) canonical ice sheet modeling benchmarks. Model accuracy and convergence with respect to mesh resolution are then studied on problems involving a realistic Greenland ice sheet geometry discretized using hexahedral and tetrahedral meshes. Also explored as a part of this study is the effect of vertical mesh resolution on the solution accuracy and solver performance. The robustness and scalability of our solver on these problems is demonstrated. Lastly, we show that good scalability can be achieved by preconditioning the iterative linear solver using a new algebraic multilevel preconditioner, constructed based on the idea of semi-coarsening. C1 [Tezaur, I. K.] Sandia Natl Labs, Quantitat Modeling & Anal Dept, Livermore, CA 94551 USA. [Perego, M.; Salinger, A. G.; Tuminaro, R. S.] Sandia Natl Labs, Computat Math Dept, Albuquerque, NM 87185 USA. [Price, S. F.] Los Alamos Natl Lab, Fluid Dynam & Solid Mech Grp, Los Alamos, NM 87545 USA. RP Tezaur, IK (reprint author), Sandia Natl Labs, Quantitat Modeling & Anal Dept, POB 969,MS 9159, Livermore, CA 94551 USA. EM ikalash@sandia.gov RI Price, Stephen /E-1568-2013 OI Price, Stephen /0000-0001-6878-2553 FU Scientific Discovery through Advanced Computing (SciDAC) program - U.S. Department of Energy (DOE), Office of Science, Advanced Scientific Computing Research and Biological and Environmental Research; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Oak Ridge Leadership Computing Facility (OLCF); DOE Office of Science [DE-AC02-05CH11231, DE-AC05-00OR22725] FX Support for all authors was provided through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy (DOE), Office of Science, Advanced Scientific Computing Research and Biological and Environmental Research. This research used resources of the National Energy Research Scientific Computing Center (NERSC; supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-05CH11231) and the Oak Ridge Leadership Computing Facility (OLCF; supported by the DOE Office of Science under contracts DE-AC02-05CH11231 and DE-AC05-00OR22725). The authors thank M. Norman of Oak Ridge National Laboratory for the generation of the Greenland geometry data sets, J. Johnson (and students) of the University of Montana for initial development of the ISMIP-HOM plotting scripts, and M. Hoffman and B. Lipscomb at Los Alamos National Laboratory for useful discussions that led to some of the ideas and results presented in this paper. NR 72 TC 8 Z9 8 U1 1 U2 2 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2015 VL 8 IS 4 BP 1197 EP 1220 DI 10.5194/gmd-8-1197-2015 PG 24 WC Geosciences, Multidisciplinary SC Geology GA CH2FT UT WOS:000353841800014 ER PT J AU Ray, J Lee, J Yadav, V Lefantzi, S Michalak, AM Waanders, BV AF Ray, J. Lee, J. Yadav, V. Lefantzi, S. Michalak, A. M. Waanders, B. van Bloemen TI A sparse reconstruction method for the estimation of multi-resolution emission fields via atmospheric inversion SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID ORTHOGONAL MATCHING PURSUIT; CARBON-DIOXIDE EMISSIONS; FOSSIL-FUEL COMBUSTION; SIGNAL RECOVERY; GAS EMISSIONS; MODEL; SATELLITE; REGULARIZATION; STRATEGIES; EXCHANGE AB Atmospheric inversions are frequently used to estimate fluxes of atmospheric greenhouse gases (e.g., biospheric CO2 flux fields) at Earth's surface. These inversions typically assume that flux departures from a prior model are spatially smoothly varying, which are then modeled using a multi-variate Gaussian. When the field being estimated is spatially rough, multi-variate Gaussian models are difficult to construct and a wavelet-based field model may be more suitable. Unfortunately, such models are very high dimensional and are most conveniently used when the estimation method can simultaneously perform data-driven model simplification (removal of model parameters that cannot be reliably estimated) and fitting. Such sparse reconstruction methods are typically not used in atmospheric inversions. In this work, we devise a sparse reconstruction method, and illustrate it in an idealized atmospheric inversion problem for the estimation of fossil fuel CO2 (ffCO(2)) emissions in the lower 48 states of the USA. Our new method is based on stagewise orthogonal matching pursuit (StOMP), a method used to reconstruct compressively sensed images. Our adaptations bestow three properties to the sparse reconstruction procedure which are useful in atmospheric inversions. We have modified StOMP to incorporate prior information on the emission field being estimated and to enforce non-negativity on the estimated field. Finally, though based on wavelets, our method allows for the estimation of fields in non-rectangular geometries, e.g., emission fields inside geographical and political boundaries. Our idealized inversions use a recently developed multi-resolution (i.e., wavelet-based) random field model developed for ffCO(2) emissions and synthetic observations of ffCO(2) concentrations from a limited set of measurement sites. We find that our method for limiting the estimated field within an irregularly shaped region is about a factor of 10 faster than conventional approaches. It also reduces the overall computational cost by a factor of 2. Further, the sparse reconstruction scheme imposes non-negativity without introducing strong nonlinearities, such as those introduced by employing log-transformed fields, and thus reaps the benefits of simplicity and computational speed that are characteristic of linear inverse problems. C1 [Ray, J.; Lee, J.; Lefantzi, S.] Sandia Natl Labs, Livermore, CA 94551 USA. [Yadav, V.; Michalak, A. M.] Carnegie Inst Sci, Stanford, CA 94305 USA. [Waanders, B. van Bloemen] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ray, J (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. EM jairay@sandia.gov FU Sandia National Laboratories' LDRD (Laboratory Directed Research and Development) funds - Geosciences Investment Area; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by Sandia National Laboratories' LDRD (Laboratory Directed Research and Development) funds, sponsored by the Geosciences Investment Area. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 48 TC 0 Z9 0 U1 4 U2 13 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1991-959X EI 1991-9603 J9 GEOSCI MODEL DEV JI Geosci. Model Dev. PY 2015 VL 8 IS 4 BP 1259 EP 1273 DI 10.5194/gmd-8-1259-2015 PG 15 WC Geosciences, Multidisciplinary SC Geology GA CH2FT UT WOS:000353841800018 ER PT S AU Alessi, D Carr, CW Negres, RA Hackel, RP Stanion, KA Cross, DA Guss, G Nissen, JD Luthi, R Fair, JE Britten, JA Haefner, C AF Alessi, D. Carr, C. W. Negres, R. A. Hackel, R. P. Stanion, K. A. Cross, D. A. Guss, G. Nissen, J. D. Luthi, R. Fair, J. E. Britten, J. A. Haefner, C. BE Awwal, AAS Lane, MA TI Optical damage performance measurements of multilayer dielectric gratings for high energy short pulse lasers SO HIGH POWER LASERS FOR FUSION RESEARCH III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd Biennial Conference on High Power Lasers for Fusion Research CY FEB 10-12, 2015 CL San Francisco, CA SP SPIE DE laser damage; picosecond phenomena; multilayer dielectric gratings; damage density; petawatt lasers AB We investigate the laser damage resistance of multilayer dielectric (MLD) diffraction gratings used in the pulse compressors for high energy, high peak power laser systems such as the Advanced Radiographic Capability (ARC) Petawatt laser on the National Ignition Facility (NIF). Our study includes measurements of damage threshold and damage density (rho(Phi)) with picosecond laser pulses at 1053 nm under relevant operational conditions. Initial results indicate that sparse defects present on the optic surface from the manufacturing processes are responsible for damage initiation at laser fluences below the damage threshold indicated by the standard R-on-1 test methods, as is the case for laser damage with nanosecond pulse durations. As such, this study supports the development of damage density measurements for more accurate predictions on the damage performance of large area optics. C1 [Alessi, D.; Carr, C. W.; Negres, R. A.; Hackel, R. P.; Stanion, K. A.; Cross, D. A.; Guss, G.; Nissen, J. D.; Luthi, R.; Fair, J. E.; Britten, J. A.; Haefner, C.] Lawrence Livermore Natl Lab, NIF & Photon Sci, Livermore, CA 94550 USA. RP Alessi, D (reprint author), Lawrence Livermore Natl Lab, NIF & Photon Sci, 7000 East Ave, Livermore, CA 94550 USA. EM alessi2@llnl.gov NR 12 TC 0 Z9 0 U1 3 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-435-6 J9 PROC SPIE PY 2015 VL 9345 DI 10.1117/12.2084823 PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6FM UT WOS:000353894900005 ER PT S AU Awwal, A Wilhelmsen, K Roberts, R Leach, R Kamm, VM Ngo, T Lowe-Webb, R AF Awwal, Abdul Wilhelmsen, Karl Roberts, Randy Leach, Richard Kamm, Victoria Miller Ngo, Tony Lowe-Webb, Roger BE Awwal, AAS Lane, MA TI Centroid stabilization in alignment of FOA Corner Cube: designing of a matched filter SO HIGH POWER LASERS FOR FUSION RESEARCH III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd Biennial Conference on High Power Lasers for Fusion Research CY FEB 10-12, 2015 CL San Francisco, CA SP SPIE DE laser alignment; position detection; template matching; matched filter; image processing and analysis; correlation peak; beam alignment; High power laser ID SYSTEM AB The current automation of image-based alignment of NIF high energy laser beams is providing the capability of executing multiple target shots per day. An important aspect of performing multiple shots in a day is to reduce additional time spent aligning specific beams due to perturbations in those beam images. One such alignment is beam centration through the second and third harmonic generating crystals in the final optics assembly (FOA), which employs two retro-reflecting corner cubes to represent the beam center. The FOA houses the frequency conversion crystals for third harmonic generation as the beams enters the target chamber. Beam-to-beam variations and systematic beam changes over time in the FOA corner-cube images can lead to a reduction in accuracy as well as increased convergence durations for the template based centroid detector. This work presents a systematic approach of maintaining FOA corner cube centroid templates so that stable position estimation is applied thereby leading to fast convergence of alignment control loops. In the matched filtering approach, a template is designed based on most recent images taken in the last 60 days. The results show that new filter reduces the divergence of the position estimation of FOA images. C1 [Awwal, Abdul; Wilhelmsen, Karl; Roberts, Randy; Leach, Richard; Kamm, Victoria Miller; Ngo, Tony; Lowe-Webb, Roger] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Awwal, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM awwal1@llnl.gov NR 11 TC 0 Z9 0 U1 1 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-435-6 J9 PROC SPIE PY 2015 VL 9345 DI 10.1117/12.2083537 PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6FM UT WOS:000353894900016 ER PT S AU Di Nicola, JM Yang, ST Boley, CD Crane, JK Heebner, JE Spinka, TM Arnold, P Barty, CPJ Bowers, MW Budge, TS Christensen, K Dawson, JW Erbert, G Feigenbaum, E Guss, G Haefner, C Hermann, MR Homoelle, D Jarboe, JA Lawson, JK Lowe-Webb, R McCandless, K McHale, B Pelz, LJ Pham, PP Prantil, MA Rehak, ML Rever, MA Rushford, MC Sacks, RA Shaw, M Smauley, D Smith, LK Speck, R Tietbohl, G Wegner, PJ Widmayer, C AF Di Nicola, J. M. Yang, S. T. Boley, C. D. Crane, J. K. Heebner, J. E. Spinka, T. M. Arnold, P. Barty, C. P. J. Bowers, M. W. Budge, T. S. Christensen, K. Dawson, J. W. Erbert, G. Feigenbaum, E. Guss, G. Haefner, C. Hermann, M. R. Homoelle, D. Jarboe, J. A. Lawson, J. K. Lowe-Webb, R. McCandless, K. McHale, B. Pelz, L. J. Pham, P. P. Prantil, M. A. Rehak, M. L. Rever, M. A. Rushford, M. C. Sacks, R. A. Shaw, M. Smauley, D. Smith, L. K. Speck, R. Tietbohl, G. Wegner, P. J. Widmayer, C. BE Awwal, AAS Lane, MA TI The Commissioning of the Advanced Radiographic Capability Laser System: Experimental and Modeling Results at the Main Laser Output SO HIGH POWER LASERS FOR FUSION RESEARCH III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd Biennial Conference on High Power Lasers for Fusion Research CY FEB 10-12, 2015 CL San Francisco, CA SP SPIE DE CPA; short-pulse; petawatt; picosecond; kilojoule; ARC; NIF ID NATIONAL-IGNITION-FACILITY; ELECTRODE POCKELS CELL; PETAWATT LASER; HIGH-ENERGY; PULSES AB The National Ignition Facility (NIF) at Lawrence Livermore National Laboratory is the first of a kind megajoule-class laser with 192 beams capable of delivering over 1.8 MJ and 500TW of 351nm light [1], [2]. It has been commissioned and operated since 2009 to support a wide range of missions including the study of inertial confinement fusion, high energy density physics, material science, and laboratory astrophysics. In order to advance our understanding, and enable short-pulse multi-frame radiographic experiments of dense cores of cold material, the generation of very hard x-rays above 50 keV is necessary. X-rays with such characteristics can be efficiently generated with high intensity laser pulses above 10(17) W/cm(2) [3]. The Advanced Radiographic Capability (ARC) [4] which is currently being commissioned on the NIF will provide eight, 1 ps to 50 ps, adjustable pulses with up to 1.7 kJ each to create x-ray point sources enabling dynamic, multi-frame x-ray backlighting. This paper will provide an overview of the ARC system and report on the laser performance tests conducted with a stretched-pulse up to the main laser output and their comparison with the results of our laser propagation codes. C1 [Di Nicola, J. M.; Yang, S. T.; Boley, C. D.; Crane, J. K.; Heebner, J. E.; Spinka, T. M.; Arnold, P.; Barty, C. P. J.; Bowers, M. W.; Budge, T. S.; Christensen, K.; Dawson, J. W.; Erbert, G.; Feigenbaum, E.; Guss, G.; Haefner, C.; Hermann, M. R.; Homoelle, D.; Jarboe, J. A.; Lawson, J. K.; Lowe-Webb, R.; McCandless, K.; McHale, B.; Pelz, L. J.; Pham, P. P.; Prantil, M. A.; Rehak, M. L.; Rever, M. A.; Rushford, M. C.; Sacks, R. A.; Shaw, M.; Smauley, D.; Smith, L. K.; Speck, R.; Tietbohl, G.; Wegner, P. J.; Widmayer, C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Di Nicola, JM (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM dinicola2@llnl.gov NR 34 TC 3 Z9 3 U1 3 U2 12 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-435-6 J9 PROC SPIE PY 2015 VL 9345 AR 93450I DI 10.1117/12.2080459 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6FM UT WOS:000353894900013 ER PT S AU Kane, JO Martinez, DA Pound, MW Heeter, RF Casner, A Mancini, RC AF Kane, Jave O. Martinez, David A. Pound, Marc W. Heeter, Robert F. Casner, Alexis Mancini, Roberto C. BE Awwal, AAS Lane, MA TI Dynamics of Molecular Clouds: Observations, Simulations, and NIF Experiments SO HIGH POWER LASERS FOR FUSION RESEARCH III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd Biennial Conference on High Power Lasers for Fusion Research CY FEB 10-12, 2015 CL San Francisco, CA SP SPIE DE Eagle Nebula; NIF; laser; long duration; multi hohlraum; molecular clouds; cometary ID YOUNG STELLAR OBJECTS; STAR-FORMATION; IONIZATION FRONTS; EAGLE NEBULA; HII-REGIONS; HYDRODYNAMIC INSTABILITY; LABORATORY EXPERIMENTS; COMETARY GLOBULES; PHOTOEVAPORATION; PILLARS AB For over fifteen years astronomers at the University of Maryland and theorists and experimentalists at LLNL have investigated the origin and dynamics of the famous Pillars of the Eagle Nebula, and similar parsec-scale structures at the boundaries of HII regions in molecular hydrogen clouds. Eagle Nebula was selected as one of the National Ignition Facility (NIF) Science programs, and has been awarded four NIF shots to study the cometary model of pillar formation. These experiments require a long-duration drive, 30 ns or longer, to drive deeply nonlinear ablative hydrodynamics. The NIF shots will feature a new long-duration x-ray source prototyped at the Omega EP laser, in which multiple hohlraums are driven with UV light in series for 10 ns each and reradiate the energy as an extended x-ray pulse. The new source will be used to illuminate a science package with directional radiation mimicking a cluster of stars. The scaled Omega EP shots tested whether a multi-hohlraum concept is viable - whether earlier time hohlraums would degrade later time hohlraums by preheat or by ejecting ablated plumes that would deflect the later beams. The Omega EP shots illuminated three 2.8 mm long by 1.4 mm diameter Cu hohlraums for 10 ns each with 4.3 kJ per hohlraum. At NIF each hohlraum will be 4 mm long by 3 mm in diameter and will be driven with 80 kJ per hohlraum. C1 [Kane, Jave O.; Martinez, David A.; Heeter, Robert F.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Pound, Marc W.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. [Casner, Alexis] CEA, DAM, DIF, F-91297 Arpajon, France. [Mancini, Roberto C.] Univ Nevada, Dept Phys, Reno, NV 89503 USA. RP Kane, JO (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. RI CASNER, Alexis/B-7458-2014 OI CASNER, Alexis/0000-0003-2176-1389 NR 45 TC 0 Z9 0 U1 0 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-435-6 J9 PROC SPIE PY 2015 VL 9345 AR 93450C DI 10.1117/12.2072369 PG 9 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6FM UT WOS:000353894900008 ER PT S AU Knutson, B Dunne, M Kasper, J Sheehan, T Lang, D Anklam, T Roberts, V Mau, D AF Knutson, Brad Dunne, Mike Kasper, Jack Sheehan, Tim Lang, Dwight Anklam, Tom Roberts, Valerie Mau, Derek BE Awwal, AAS Lane, MA TI Inertial Fusion Power Plant Concept of Operations and Maintenance SO HIGH POWER LASERS FOR FUSION RESEARCH III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd Biennial Conference on High Power Lasers for Fusion Research CY FEB 10-12, 2015 CL San Francisco, CA SP SPIE DE inertial; fusion; laser; engine; power; plant; operations; maintenance ID ENERGY; LIFE AB Parsons and LLNL scientists and engineers performed design and engineering work for power plant pre-conceptual designs based on the anticipated laser fusion demonstrations at the National Ignition Facility (NIF). Work included identifying concepts of operations and maintenance (O&M) and associated requirements relevant to fusion power plant systems analysis. A laser fusion power plant would incorporate a large process and power conversion facility with a laser system and fusion engine serving as the heat source, based in part on some of the systems and technologies advanced at NIF. Process operations would be similar in scope to those used in chemical, oil refinery, and nuclear waste processing facilities, while power conversion operations would be similar to those used in commercial thermal power plants. While some aspects of the tritium fuel cycle can be based on existing technologies, many aspects of a laser fusion power plant presents several important and unique O&M requirements that demand new solutions. For example, onsite recovery of tritium; unique remote material handling systems for use in areas with high radiation, radioactive materials, or high temperatures; a five-year fusion engine target chamber replacement cycle with other annual and multi-year cycles anticipated for major maintenance of other systems, structures, and components (SSC); and unique SSC for fusion target waste recycling streams. This paper describes fusion power plant O&M concepts and requirements, how O&M requirements could be met in design, and how basic organizational and planning issues can be addressed for a safe, reliable, economic, and feasible fusion power plant. C1 [Knutson, Brad; Kasper, Jack; Sheehan, Tim; Mau, Derek] Parsons, Pasadena, CA 91124 USA. [Dunne, Mike; Lang, Dwight; Anklam, Tom; Roberts, Valerie] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Knutson, B (reprint author), Parsons, 100 West Walnut St, Pasadena, CA 91124 USA. NR 3 TC 0 Z9 0 U1 4 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-435-6 J9 PROC SPIE PY 2015 VL 9345 AR 934506 DI 10.1117/12.2081044 PG 15 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6FM UT WOS:000353894900003 ER PT S AU Labaria, GR Warrick, AL Celliers, PM Kalantar, DH AF Labaria, George R. Warrick, Abbie L. Celliers, Peter M. Kalantar, Daniel H. BE Awwal, AAS Lane, MA TI A robust in-situ warp-correction algorithm for VISAR streak camera data at the National Ignition Facility SO HIGH POWER LASERS FOR FUSION RESEARCH III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd Biennial Conference on High Power Lasers for Fusion Research CY FEB 10-12, 2015 CL San Francisco, CA SP SPIE DE visar; streak camera; warp-correction; thin-plate splines ID INTERPOLATION AB The National Ignition Facility (NIF) at the Lawrence Livermore National Laboratory is a 192-beam pulsed laser system for high energy density physics experiments. Sophisticated diagnostics have been designed around key performance metrics to achieve ignition. The Velocity Interferometer System for Any Reflector (VISAR) is the primary diagnostic for measuring the timing of shocks induced into an ignition capsule. The VISAR system utilizes three streak cameras; these streak cameras are inherently nonlinear and require warp corrections to remove these nonlinear effects. A detailed calibration procedure has been developed with National Security Technologies (NSTec) and applied to the camera correction analysis in production. However, the camera nonlinearities drift over time affecting the performance of this method. An in-situ fiber array is used to inject a comb of pulses to generate a calibration correction in order to meet the timing accuracy requirements of VISAR. We develop a robust algorithm for the analysis of the comb calibration images to generate the warp correction that is then applied to the data images. Our algorithm utilizes the method of thin-plate splines (TPS) to model the complex nonlinear distortions in the streak camera data. In this paper, we focus on the theory and implementation of the TPS warp-correction algorithm for the use in a production environment. C1 [Labaria, George R.] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. [Labaria, George R.; Warrick, Abbie L.; Celliers, Peter M.; Kalantar, Daniel H.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Labaria, GR (reprint author), Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. EM glabaria@soe.ucsc.edu; warrick1@llnl.gov NR 13 TC 0 Z9 0 U1 1 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-435-6 J9 PROC SPIE PY 2015 VL 9345 AR 93450Q DI 10.1117/12.2085127 PG 15 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6FM UT WOS:000353894900019 ER PT S AU Leach, RR Beltsar, I Burkhart, S Lowe-Webb, R Kamm, VM Salmon, T Wilhelmsen, K AF Leach, Richard R., Jr. Beltsar, Ilona Burkhart, Scott Lowe-Webb, Roger Kamm, Victoria Miller Salmon, Thad Wilhelmsen, Karl BE Awwal, AAS Lane, MA TI Near Field Intensity Trends of Main Laser Alignment Images in the National Ignition Facility (NIF) SO HIGH POWER LASERS FOR FUSION RESEARCH III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd Biennial Conference on High Power Lasers for Fusion Research CY FEB 10-12, 2015 CL San Francisco, CA SP SPIE DE intensity ratio; big data; trend analysis; light transmission; beam path; exposure time ID SYSTEM AB The National Ignition Facility (NIF) utilizes 192 high-energy laser beams focused with enough power and precision on a hydrogen-filled spherical, cryogenic target to potentially initiate a fusion reaction. NIF has been operational for six years and during that time, thousands of successful laser firings or shots have been executed. Critical instrument measurements and camera images are carefully recorded for each shot. The result is a massive and complex database or 'big data' archive that can be used to investigate the state of the laser system at any point in its history or to locate and track trends in the laser operation over time. In this study, the optical light throughput for more than 1600 NIF shots for each of the 192 main laser beams and 48 quads was measured over a three year period from January 2009 to October 2012. The purpose was to verify that the variation in the transmission of light through the optics performed within design expectations during this time period. Differences between average or integrated intensity from images recorded by the input sensor package (ISP) and by the output sensor package (OSP) in the NIF beam-line were examined. A metric is described for quantifying changes in the integrated intensity measurements. Changes in light transmission from the NIF main laser over the three year time-frame are presented. C1 [Leach, Richard R., Jr.; Beltsar, Ilona; Burkhart, Scott; Lowe-Webb, Roger; Kamm, Victoria Miller; Salmon, Thad; Wilhelmsen, Karl] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Leach, RR (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. NR 8 TC 0 Z9 0 U1 1 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-435-6 J9 PROC SPIE PY 2015 VL 9345 DI 10.1117/12.2084006 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6FM UT WOS:000353894900009 ER PT S AU Rehak, M Di Nicola, JM AF Rehak, M. Di Nicola, J. M. BE Awwal, AAS Lane, MA TI COMBINE: an Integrated Opto-Mechanical Tool for Laser Performance Modeling SO HIGH POWER LASERS FOR FUSION RESEARCH III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd Biennial Conference on High Power Lasers for Fusion Research CY FEB 10-12, 2015 CL San Francisco, CA SP SPIE DE ANSYS; finite element analysis; birefringence; photoelasticity; polarization; eikonal equation; wavefront AB Accurate modeling of thermal, mechanical and optical processes is important for achieving reliable, high-performance high energy lasers such as those at the National Ignition Facility [1] (NIF). The need for this capability is even more critical for high average power, high repetition rate applications. Modeling the effects of stresses and temperature fields on optical properties allows for optimal design of optical components and more generally of the architecture of the laser system itself. Stresses change the indices of refractions and induce inhomogeneities and anisotropy. We present a modern, integrated analysis tool that efficiently produces reliable results that are used in our laser propagation tools such as VBL [5]. COMBINE is built on and supplants the existing legacy tools developed for the previous generations of lasers at LLNL but also uses commercially available mechanical finite element codes ANSYS or COMSOL (including computational fluid dynamics). The COMBINE code computes birefringence and wave front distortions due to mechanical stresses on lenses and slabs of arbitrary geometry. The stresses calculated typically originate from mounting support, vacuum load, gravity, heat absorption and/or attending cooling. Of particular importance are the depolarization and detuning effects of nonlinear crystals due to thermal loading. Results are given in the form of Jones matrices, depolarization maps and wave front distributions. An incremental evaluation of Jones matrices and ray propagation in a 3D mesh with a stress and temperature field is performed. Wavefront and depolarization maps are available at the optical aperture and at slices within the optical element. The suite is validated, user friendly, supported, documented and amenable to collaborative development. * COMBINE stands for Code for Opto-Mechanical Birefringence Integrated Numerical Evaluations C1 [Rehak, M.; Di Nicola, J. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Rehak, M (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. NR 11 TC 0 Z9 0 U1 5 U2 13 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-435-6 J9 PROC SPIE PY 2015 VL 9345 DI 10.1117/12.2080403 PG 13 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6FM UT WOS:000353894900015 ER PT S AU Sacks, RA McCandless, KP Feigenbaum, E Di Nicola, JMG Luke, KJ Riedel, W Learn, RJ Kraines, BJ AF Sacks, R. A. McCandless, K. P. Feigenbaum, E. Di Nicola, J. M. G. Luke, K. J. Riedel, W. Learn, R. J. Kraines, B. J. BE Awwal, AAS Lane, MA TI The virtual beamline (VBL) laser simulation code SO HIGH POWER LASERS FOR FUSION RESEARCH III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd Biennial Conference on High Power Lasers for Fusion Research CY FEB 10-12, 2015 CL San Francisco, CA SP SPIE DE laser; modeling; NIF; LPOM; physical optics; design optimization ID PROPAGATION; AMPLIFIER; LIGHT AB Design, activation, and operation of large laser systems rely on accurate, efficient, user-friendly simulation of laser performance. At the Lawrence Livermore National Laboratory, the principle tool for this simulation over the past ten years has been the VBL, an outgrowth of the Prop code that uses the same text-file input grammar and is closely integrated with the Laser Performance Operations Model (LPOM)(1). Here, we describe the physics capabilities of this code, its user interface, and our plans for near-term future developments. C1 [Sacks, R. A.; McCandless, K. P.; Feigenbaum, E.; Di Nicola, J. M. G.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Luke, K. J.] Cornell Univ, Ithaca, NY USA. [Riedel, W.] Apple Inc, Cupertino, CA USA. [Learn, R. J.] Florida State Univ, Tallahassee, FL 32306 USA. [Kraines, B. J.] Rochester Inst Technol, Rochester, NY 14623 USA. RP Sacks, RA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM sacks1@llnl.gov NR 16 TC 0 Z9 0 U1 2 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-435-6 J9 PROC SPIE PY 2015 VL 9345 AR 93450M DI 10.1117/12.2084848 PG 18 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6FM UT WOS:000353894900017 ER PT S AU Shaw, M House, R AF Shaw, Michael House, Ronald BE Awwal, AAS Lane, MA TI Laser Performance Operations Model (LPOM): The computational system that automates the setup and performance analysis of the National Ignition Facility SO HIGH POWER LASERS FOR FUSION RESEARCH III SE Proceedings of SPIE LA English DT Proceedings Paper CT 3rd Biennial Conference on High Power Lasers for Fusion Research CY FEB 10-12, 2015 CL San Francisco, CA SP SPIE DE Solid-state lasers; fusion; controls; image analysis; expert systems AB The National Ignition Facility (NIF) is a stadium-sized facility containing a 192-beam, 1.8 MJ, 500-TW, 351-nm laser system together with a 10-m diameter target chamber with room for many target diagnostics. NIF is the world's largest laser experimental system, providing a national center to study inertial confinement fusion and the physics of matter at extreme energy densities and pressures. A computational system, the Laser Performance Operations Model (LPOM) has been developed that automates the laser setup process, and accurately predict laser energetics. LPOM uses diagnostic feedback from previous NIF shots to maintain accurate energetics models (gains and losses), as well as links to operational databases to provide 'as currently installed' optical layouts for each of the 192 NIF beamlines. LPOM deploys a fully integrated laser physics model, the Virtual Beamline (VBL), in its predictive calculations in order to meet the accuracy requirements of NIF experiments, and to provide the ability to determine the damage risk to optical elements throughout the laser chain. LPOM determines the settings of the injection laser system required to achieve the desired laser output, provides equipment protection, and determines the diagnostic setup. Additionally, LPOM provides real-time post shot data analysis and reporting for each NIF shot. The LPOM computation system is designed as a multi-host computational cluster (with 200 compute nodes, providing the capability to run full NIF simulations fully parallel) to meet the demands of both the controls systems within a shot cycle, and the NIF user community outside of a shot cycle. C1 [Shaw, Michael; House, Ronald] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Shaw, M (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 11 TC 2 Z9 2 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-435-6 J9 PROC SPIE PY 2015 VL 9345 AR 93450E DI 10.1117/12.2084532 PG 16 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6FM UT WOS:000353894900010 ER PT S AU Porter, R Zimmer, BG AF Porter, Reid Zimmer, Beate G. BE Egiazarian, KO Agaian, SS Gotchev, AP TI Links Between Binary Classification and the Assignment Problem in Ordered Hypothesis Machines SO IMAGE PROCESSING: ALGORITHMS AND SYSTEMS XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Image Processing - Algorithms and Systems XIII CY FEB 10-11, 2015 CL San Francisco, CA SP Soc Imaging Sci & Technol, SPIE DE binary classification; stack filters; assignment problem; bipartite matching AB Ordered Hypothesis Machines (OHM) are large margin classifiers that belong to the class of Generalized Stack Filters which were originally developed for non-linear signal processing. In previous work we showed how OHM classifiers are equivalent to a variation of Nearest Neighbor classifiers, with the advantage that training involves minimizing a loss function which includes a regularization parameter that controls class complexity. In this paper we report a new connection between OHM training and the Linear Assignment problem, a combinatorial optimization problem that can be solved efficiently with (amongst others) the Hungarian algorithm. Specifically, for balanced classes, and particular choices of parameters, OHM training is the dual of the Assignment problem. The duality sheds new light on the OHM training problem, opens the door to new training methods and suggests several new directions for research. C1 [Porter, Reid] Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM 87545 USA. [Zimmer, Beate G.] Texas A&M Univ, Dept Math & Stat, Corpus Christi, TX 78412 USA. RP Porter, R (reprint author), Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM 87545 USA. NR 17 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-489-9 J9 PROC SPIE PY 2015 VL 9399 AR 939902 DI 10.1117/12.2083994 PG 8 WC Computer Science, Interdisciplinary Applications; Optics; Imaging Science & Photographic Technology SC Computer Science; Optics; Imaging Science & Photographic Technology GA BC6MA UT WOS:000354103800001 ER PT J AU Boyle, TJ Neville, ML Yonemoto, DT Alam, TM Jan, L AF Boyle, Timothy J. Neville, Michael L. Yonemoto, Daniel T. Alam, Todd M. Jan, Lily TI Coordination chemistry of 2,6-dimethanol pyridine with early transition metal alkoxide compounds SO JOURNAL OF COORDINATION CHEMISTRY LA English DT Article DE Alkoxides; Pyridine; Group 4; Titanium; Zirconium; Hafnium ID X-RAY STRUCTURES; N-HETEROCYCLIC CARBENE; TITANIUM ALKOXIDES; ALPHA,ALPHA-DISUBSTITUTED-2,6-PYRIDINEDIMETHOXIDE LIGANDS; TANTALUM COMPLEXES; REACTIVITY; CATALYSTS; ALCOHOLS; WATER AB The coordination behavior of the 2,6-dimethanol pyridine (H-2-pdm) with Group 4 and 5 metal alkoxides was undertaken through a series of alcoholysis reactions. The products were crystallographically identified as: (OR)(2)M((2)-pdm)[(-pdm)M(OR)(2)](2) (M=Ti, OR=OPri (1 py), ONep (2 HONep, tol); Zr, OBut (3)), [M-3((3)-pdm)(-pdm)(2)(-ONep)(2)(ONep)(4)] (M=Zr (4), Hf (5)), [M(-pdm)(OR)(3)](2) [M/OR=Nb/OEt (6), and Ta/ONep (7)] where =(1),(1),(2)(O,N,O), (2)=(2),(1),(2)(O,N,O), (3)=(1),(1),(3)(O,N,O), OEt=OCH2CH3, OPri=OCH(CH3)(2), OBut=OC(CH3)(3), and ONep=OCH2C(CH3)(3). For each complex, pdm was a bichelating (O,N,O) ligand generating trinuclear species coupled with a variety of additional bridging modes: , (2), and (3). Further analyses by multinuclear and DOSY NMR studies indicated that the structures were retained in solution. C1 [Boyle, Timothy J.; Neville, Michael L.; Yonemoto, Daniel T.; Alam, Todd M.; Jan, Lily] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87185 USA. RP Boyle, TJ (reprint author), Sandia Natl Labs, Adv Mat Lab, POB 5800, Albuquerque, NM 87185 USA. EM tjboyle@Sandia.gov FU Laboratory Directed Research and Development (LDRD) programs at Sandia National Laboratories; National Science Foundation CRIF:MU award [CHE04-43580]; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Laboratory Directed Research and Development (LDRD) programs at Sandia National Laboratories and the National Science Foundation CRIF:MU award to Prof Kemp of the University of New Mexico (CHE04-43580) for purchase of a Bruker X-ray diffractometer. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 31 TC 1 Z9 1 U1 2 U2 4 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0095-8972 EI 1029-0389 J9 J COORD CHEM JI J. Coord. Chem. PY 2015 VL 68 IS 9 BP 1616 EP 1632 DI 10.1080/00958972.2015.1028382 PG 17 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CH5ZC UT WOS:000354113900012 ER PT J AU Bhadra, S Hertzberg, BJ Hsieh, AG Croft, M Gallaway, JW Van Tassell, BJ Chamoun, M Erdonmez, C Zhong, Z Sholklapper, T Steingart, DA AF Bhadra, Shoham Hertzberg, Benjamin J. Hsieh, Andrew G. Croft, Mark Gallaway, Joshua W. Van Tassell, Barry J. Chamoun, Mylad Erdonmez, Can Zhong, Zhong Sholklapper, Tal Steingart, Daniel A. TI The relationship between coefficient of restitution and state of charge of zinc alkaline primary LR6 batteries SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID LI-ION BATTERY; ACOUSTIC-EMISSION; CAPACITY FADE; PERFORMANCE; CELLS; MORPHOLOGY; PARTICLES; EVOLUTION; STRESS; FORCE AB The coefficient of restitution of alkaline batteries has been shown to increase as a function of depth of discharge. In this work, using non-destructive mechanical testing, the change in coefficient of restitution is compared to in situ energy-dispersive X-ray diffraction data to determine the cause of the macroscopic change in coefficient of restitution. The increase in coefficient of restitution correlates to the formation of a percolation pathway of ZnO within the anode of the cell, and the coefficient of restitution levels off at a value of 0.66 +/- 0.02 at 50% state of charge when the anode has densified into porous ZnO solid. Of note is the sensitivity of coefficient of restitution to the amount of ZnO formation that rivals the sensitivity of in situ energy-dispersive X-ray diffraction. C1 [Bhadra, Shoham] Princeton Univ, Elect Engn, Princeton, NJ 08540 USA. [Bhadra, Shoham; Hertzberg, Benjamin J.; Hsieh, Andrew G.; Steingart, Daniel A.] Princeton Univ, Andlinger Ctr Energy & Environm, Princeton, NJ 08540 USA. [Hertzberg, Benjamin J.; Hsieh, Andrew G.; Steingart, Daniel A.] Princeton Univ, Mech & Aerosp Engn, Princeton, NJ 08540 USA. [Croft, Mark] Rutgers State Univ, Dept Phys, Piscataway, NJ 08854 USA. [Gallaway, Joshua W.] CUNY, Energy Inst, New York, NY 10031 USA. [Van Tassell, Barry J.] CUNY, Dept Chem Engn, New York, NY 10031 USA. [Chamoun, Mylad; Erdonmez, Can] Brookhaven Natl Lab, Sustainable Technol Div, Upton, NY 11973 USA. [Zhong, Zhong] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Sholklapper, Tal] Voltaiq, Brooklyn, NY 11201 USA. RP Bhadra, S (reprint author), Princeton Univ, Elect Engn, Princeton, NJ 08540 USA. FU National Science Foundation [CMMI 1402872]; Department of Energy ARPA-E RANGE [DE-AR0000400]; Laboratory Directed Research and Development Program of Brookhaven National Laboratory (LDRD-BNL) [DE-AC02-98CH 10866]; U.S. Department of Energy; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX We are grateful for the patience of the Steingart lab as this work had to be carried out in a completely silent environment. We also acknowledge Sonny Moore for his contributions to drop testing in electro-acoustic applications. This work was performed with financial support from the National Science Foundation CMMI 1402872, Department of Energy ARPA-E RANGE DE-AR0000400, and the Laboratory Directed Research and Development Program of Brookhaven National Laboratory (LDRD-BNL) under Contract no. DE-AC02-98CH 10866 with the U.S. Department of Energy. 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. The authors thank Mr. Hassan Albakri for bringing the change in bounce to our attention. NR 32 TC 5 Z9 5 U1 3 U2 7 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 2015 VL 3 IS 18 BP 9395 EP 9400 DI 10.1039/c5ta01576f PG 6 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CH3JR UT WOS:000353927500005 ER PT J AU Li, H Yu, XQ Bai, Y Wu, F Wu, C Liu, LY Yang, XQ AF Li, Hui Yu, Xiqian Bai, Ying Wu, Feng Wu, Chuan Liu, Liang-Yu Yang, Xiao-Qing TI Effects of Mg doping on the remarkably enhanced electrochemical performance of Na3V2(PO4)(3) cathode materials for sodium ion batteries SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID CARBON-COATED NA3V2(PO4)(3); ENERGY-STORAGE; RATE CAPABILITY; ANODE MATERIAL; HIGH-CAPACITY; NEGATIVE-ELECTRODE; LITHIUM BATTERIES; LIFEPO4/C CATHODE; NA; CO AB Na3V2-xMgx(PO4)(3)/C composites with different Mg2+ doping contents (x = 0, 0.01, 0.03, 0.05, 0.07 and 0.1) were prepared by a facile sol-gel method. The doping effects on the crystal structure were investigated by XRD, XPS and EXAFS. The results show that low dose doping of Mg2+ does not alter the structure of the material, and magnesium is successfully substituted for the vanadium site. The Mg doped Na(3)V(2-x)Mgx(PO4)(3)/C composites exhibit significant improvements on the electrochemical performance in terms of the rate capability and cycle performance, especially for the Na3V1.95Mg0.05(PO4)(3)/C. For example, when the current density increased from 1 C to 30 C, the specific capacity only decreased from 112.5 mA h g(-1) to 94.2 mA h g(-1) showing very good rate capability. Moreover, even cycling at a high rate of 20 C, an excellent capacity retention of 81% is maintained from the initial value of 106.4 mA h g(-1) to 86.2 mA h g(-1) at the 50th cycle. Enhanced rate capability and cycle performance can be attributed to the optimized particle size, structural stability and enhanced ionic and electronic conductivity induced by Mg doping. C1 [Li, Hui; Bai, Ying; Wu, Feng; Wu, Chuan; Liu, Liang-Yu] Beijing Inst Technol, Sch Chem Engn & Environm, Beijing Key Lab Environm Sci & Engn, Beijing 100081, Peoples R China. [Yu, Xiqian; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Bai, Y (reprint author), Beijing Inst Technol, Sch Chem Engn & Environm, Beijing Key Lab Environm Sci & Engn, Beijing 100081, Peoples R China. EM membrane@bit.edu.cn; chuanwu@bit.edu.cn; xyang@bnl.gov RI wu, chuan/A-1447-2009; Yu, Xiqian/B-5574-2014 OI Yu, Xiqian/0000-0001-8513-518X FU National Basic Research Program of China [2015CB251100]; Program for New Century Excellent Talents in University [NCET-12-0047, NCET-13-0033]; State Scholarship Fund of the China Scholarship Council [201406035025]; Office of Vehicle Technologies of the U.S. Department of Energy (DOE) [DE-AC02-98CH10886] FX The present work is financially supported by the National Basic Research Program of China (Grant no. 2015CB251100), and Program for New Century Excellent Talents in University (Grant no. NCET-12-0047, NCET-13-0033). Y. Bai acknowledges the support from the State Scholarship Fund (no. 201406035025) of the China Scholarship Council. The work done at Brookhaven National Laboratory was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy (DOE), under contact no. DE-AC02-98CH10886. The authors acknowledge the technical support by the beamline scientist at 9-BM-B of Advanced Photon Source at Argonne National Laboratory. NR 58 TC 29 Z9 30 U1 19 U2 108 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 2015 VL 3 IS 18 BP 9578 EP 9586 DI 10.1039/c5ta00277j PG 9 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CH3JR UT WOS:000353927500030 ER PT J AU Oosterhout, SD Kopidakis, N Owczarczyk, ZR Braunecker, WA Larsen, RE Ratcliff, EL Olson, DC AF Oosterhout, S. D. Kopidakis, N. Owczarczyk, Z. R. Braunecker, W. A. Larsen, R. E. Ratcliff, E. L. Olson, D. C. TI Integrating theory, synthesis, spectroscopy and device efficiency to design and characterize donor materials for organic photovoltaics: a case study including 12 donors SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID HETEROJUNCTION SOLAR-CELLS; CONJUGATED POLYMERS; MICROWAVE CONDUCTIVITY; CHARGE SEPARATION; PERFORMANCE; BLENDS; COPOLYMERS; POLY(3-HEXYLTHIOPHENE); NANOPARTICLES; GENERATION AB The remarkable improvements in the power conversion efficiency of solution-processable Organic Photovoltaics (OPV) have largely been driven by the development of novel narrow bandgap copolymer donors comprising an electron-donating (D) and an electron-withdrawing (A) group within the repeat unit. Given the large pool of potential D and A units and the laborious processes of chemical synthesis and device optimization, progress on new high efficiency materials can, and has been, slow with a few new efficient copolymers reported every year despite the large number of groups pursuing these materials. In this paper we present an integrated approach toward new narrow bandgap copolymers that uses theory to guide the selection of materials to be synthesized based on their predicted energy levels, and time-resolved microwave conductivity (TRMC) to select the best-performing copolymer-fullerene bulk heterojunction to be incorporated into complete OPV devices. We validate our methodology by using a diverse group of 12 copolymers, including new and literature materials, to demonstrate good correlation between (a) theoretically determined energy levels of polymers and experimentally determined ionization energies and electron affinities and (b) photoconductance, measured by TRMC, and OPV device performance. The materials used here also allow us to explore whether further copolymer design rules need to be incorporated into our methodology for materials selection. For example, we explore the effect of the enthalpy change (Delta H) during exciton dissociation on the efficiency of free charge carrier generation and device efficiency and find that Delta H of -0.4 eV is sufficient for efficient charge generation. C1 [Oosterhout, S. D.; Kopidakis, N.; Owczarczyk, Z. R.; Braunecker, W. A.; Larsen, R. E.; Olson, D. C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Ratcliff, E. L.] Univ Arizona, Dept Mat Sci & Engn, Tucson, AZ 85721 USA. RP Kopidakis, N (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM nikos.kopidakis@nrel.gov RI Larsen, Ross/E-4225-2010; Kopidakis, Nikos/N-4777-2015 OI Larsen, Ross/0000-0002-2928-9835; FU U.S. Department of Energy [DE-AC36-08-GO28038]; National Renewable Energy Laboratory through the DOE SETP program FX This work was supported by the U.S. Department of Energy under Contract no. DE-AC36-08-GO28038 with the National Renewable Energy Laboratory through the DOE SETP program. NR 55 TC 5 Z9 5 U1 4 U2 19 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 2015 VL 3 IS 18 BP 9777 EP 9788 DI 10.1039/c5ta01153a PG 12 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CH3JR UT WOS:000353927500055 ER PT J AU Lee, E Park, JS Wu, TP Sun, CJ Kim, H Stair, PC Lu, J Zhou, DH Johnson, CS AF Lee, Eungje Park, Joong Sun Wu, Tianpin Sun, Cheng-Jun Kim, Hacksung Stair, Peter C. Lu, Jun Zhou, Dehua Johnson, Christopher S. TI Role of Cr3+/Cr6+ redox in chromium-substituted Li2MnO3 center dot LiNi1/2Mn1/2O2 layered composite cathodes: electrochemistry and voltage fade SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID LITHIUM-ION BATTERIES; OXIDE ELECTRODES; OXYGEN VACANCIES; LOCAL-STRUCTURE; CO ELECTRODES; IN-SITU; CELLS; LI2MNO3; MN; NI AB The effect of redox-active Cr substitution on the electrochemistry and voltage fade of a lithium-rich "layered-layered" composite cathode material has been investigated. A series of Cr-substituted 0.5Li(2)MnO(3)center dot 0.5LiNi(1/2)Mn(1/2)O(2) powder samples (i.e., Li1.2Ni0.2-2/xMn0.6-2/xCrxO2, where x = 0, 0.05, 0.1, and 0.2) was synthesized via the sol-gel method. X-ray diffraction data confirmed the incorporation of Cr ions into the lattice structure. While similar initial charge capacities (similar to 300 mA h g(-1)) were obtained for all of the cathode samples, the capacity contribution from the Li2MnO3 activation plateau (at 4.5 V vs. Li) decreased with increasing Cr content. This finding suggests suppressed oxygen loss that triggers cation migration and voltage fade in subsequent cycles. Continued investigation revealed that the Cr substitution mitigates the voltage fade on charge but not discharge. The resulting insignificant effect of Cr substitution on mitigating voltage fade, in spite of decreased Li2MnO3 activation, is attributed to the additional instability caused by Cr6+ migration to a tetrahedral site, as evidenced by ex situ X-ray absorption spectroscopy. Our results provide the framework for a future redox active cation substitution strategy by highlighting the importance of the structural stability of the substituent itself. C1 [Lee, Eungje; Park, Joong Sun; Kim, Hacksung; Stair, Peter C.; Lu, Jun; Zhou, Dehua; Johnson, Christopher S.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Wu, Tianpin; Sun, Cheng-Jun] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Kim, Hacksung; Stair, Peter C.] Northwestern Univ, Catalysis Ctr, Evanston, IL 60208 USA. [Zhou, Dehua] Univ Rochester, Dept Chem Engn, Rochester, NY 14627 USA. RP Lee, E (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM eungje.lee@anl.gov FU Vehicle Technologies Program, Hybrid and Electric Systems; US Department of Energy - Basic Energy Sciences; Canadian Light Source; U.S. DOE [DE-AC02-06CH11357]; U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX Support from the Vehicle Technologies Program, Hybrid and Electric Systems, in particular, David Howell, Tien Duong, and Peter Faguy, at the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy is gratefully acknowledged. Sector 20 facilities at the Advanced Photon Source, and research at these facilities, are supported by the US Department of Energy - Basic Energy Sciences, the Canadian Light Source and its funding partners, the University of Washington, and the Advanced Photon Source. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract no. DE-AC02-06CH11357. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract no. DE-AC02-06CH11357. NR 34 TC 5 Z9 5 U1 4 U2 43 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 2015 VL 3 IS 18 BP 9915 EP 9924 DI 10.1039/c5ta01214g PG 10 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA CH3JR UT WOS:000353927500070 ER PT J AU Sun, J Fu, JS Huang, K Gao, Y AF Sun, Jian Fu, Joshua S. Huang, Kan Gao, Yang TI Estimation of future PM2.5- and ozone-related mortality over the continental United States in a changing climate: An application of high-resolution dynamical downscaling technique SO JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION LA English DT Article ID REPRESENTATIVE CONCENTRATION PATHWAYS; PARTICULATE AIR-POLLUTION; TROPOSPHERIC OZONE; HEALTH IMPACTS; AMBIENT OZONE; US; EXPOSURE; EMISSIONS; BENEFITS; QUALITY AB This paper evaluates the PM2.5- and ozone-related mortality at present (2000s) and in the future (2050s) over the continental United States by using the Environmental Benefits Mapping and Analysis Program (BenMAP-CE). Atmospheric chemical fields are simulated by WRF/CMAQ (horizontal resolution: 12 x 12km), applying the dynamical downscaling technique from global climate-chemistry model under the Representative Concentration Pathways scenario (RCP 8.5). Future air quality results predict that the annual mean PM2.5 concentration in continental U.S. decreases nationwide, especially in the Eastern U.S. and west coast. However, the ozone concentration is projected to decrease in the Eastern U.S. but increase in the Western U.S. Future mortality is evaluated under two scenarios (1) holding future population and baseline incidence rate at the present level and (2) using the projected baseline incidence rate and population in 2050. For PM2.5, the entire continental U.S. presents a decreasing trend of PM2.5-related mortality by the 2050s in Scenario (1), primarily resulting from the emissions reduction. While in Scenario (2), almost half of the continental states show a rising tendency of PM2.5-related mortality, due to the dominant influence of population growth. In particular, the highest PM2.5-related deaths and the biggest discrepancy between present and future PM2.5-related deaths both occur in California in 2050s. For the ozone-related premature mortality, the simulation shows nation-wide rising tendency in 2050s under both scenarios, mainly due to the increase of ozone concentration and population in the future. Furthermore, the uncertainty analysis shows that the confidence interval of all causes mortality is much larger than that for specific causes, probably due to the accumulated uncertainty of generating datasets and sample size. The confidence interval of ozone-related all cause premature mortality is narrower than the PM2.5-related all cause mortality, due to its smaller standard deviation of the concentration-mortality response factor.Implications:The health impact of PM2.5 is more linearly proportional to the emission reductions than ozone. The reduction of anthropogenic PM2.5 precursor emissions is likely to lead to the decrease of PM2.5 concentrations and PM2.5 related mortality. However, the future ozone concentrations could increase due to increase of the greenhouse gas emissions of methane. Thus, to reduce the impact of ozone related mortality, anthropogenic emissions including criteria pollutant and greenhouse gas (i.e. methane) need to be controlled. C1 [Sun, Jian; Fu, Joshua S.; Huang, Kan] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Gao, Yang] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Fu, JS (reprint author), Univ Tennessee, Dept Civil & Environm Engn, 416 John D Tickle Bldg, Knoxville, TN 37996 USA. EM jsfu@utk.edu RI Huang, Kan/E-4824-2011 FU Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]; U.S. Department of Energy Office of Science Biological and Environmental Research (BER) as part of the Regional and Global Climate Modeling program; DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX Model simulations of this research were partially supported by the National Science Foundation through TeraGrid resources provided by the National Institute for Computational Science (NICS) (TG-ATM110009 and UT-TENN0006). It also used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy (contract DE-AC05-00OR22725). Yang Gao was supported in part by the U.S. Department of Energy Office of Science Biological and Environmental Research (BER) as part of the Regional and Global Climate Modeling program. PNNL is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 59 TC 2 Z9 2 U1 4 U2 25 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1096-2247 EI 2162-2906 J9 J AIR WASTE MANAGE JI J. Air Waste Manage. Assoc. PY 2015 VL 65 IS 5 BP 611 EP 623 DI 10.1080/10962247.2015.1033068 PG 13 WC Engineering, Environmental; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CH5AU UT WOS:000354047100012 PM 25947319 ER PT S AU Boncher, WL Judge, E Sansinena, JM Dirmyer, MR Hehlen, MP AF Boncher, William L. Judge, Elizabeth Sansinena, Jose-Maria Dirmyer, Matthew R. Hehlen, Markus P. BE Epstein, RI Seletskiy, DV SheikBahae, M TI Purification of precursors of Yb3+-doped YLF crystals by solvent extraction and electrochemical processing SO LASER REFRIGERATION OF SOLIDS VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Refrigeration of Solids VIII CY FEB 11-12, 2015 CL San Francisco, CA SP SPIE DE laser cooling; optical refrigeration; YLF:Yb; electrochemical purification AB Optical refrigeration by laser irradiation of YLiF4:Yb3+ (YLF:Yb) crystals has been shown to be strongly deteriorated by impurities, which absorb energy at the laser wavelength, and relax non-radiatively, negating cooling produced from anti-Stokes fluorescence. We aim to increase the efficiency of optical refrigeration through materials purification. We start with the purest sources commercially available and process them in a cleanroom environment. Our method proceeds through electrochemical purification, separating out the transition metal impurities by their redox potentials, and can be scaled up to produce the amounts of material needed for crystal growth. C1 [Boncher, William L.; Hehlen, Markus P.] Los Alamos Natl Lab, Mat Sci & Technol MST7, Los Alamos, NM 87545 USA. [Judge, Elizabeth; Sansinena, Jose-Maria; Dirmyer, Matthew R.] Los Alamos Natl Lab, Chem Diagnost & Engn, Los Alamos, NM 87545 USA. RP Boncher, WL (reprint author), Los Alamos Natl Lab, Mat Sci & Technol MST7, POB 1663,MS E549, Los Alamos, NM 87545 USA. OI Judge, Elizabeth/0000-0002-2747-1326 NR 4 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-470-7 J9 PROC SPIE PY 2015 VL 9380 AR 938004 DI 10.1117/12.2077235 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6AI UT WOS:000353692500003 ER PT S AU Ghasemkhani, M Albrecht, AR Melgaard, SD Seletskiy, DV Cederberg, JG Sheik-Bahae, M AF Ghasemkhani, Mohammadreza Albrecht, Alexander R. Melgaard, Seth D. Seletskiy, Denis V. Cederberg, Jeffrey G. Sheik-Bahae, Mansoor BE Epstein, RI Seletskiy, DV SheikBahae, M TI Intra-cavity-enhanced optical refrigeration of Yb:YLF crystal to cryogenic temperatures SO LASER REFRIGERATION OF SOLIDS VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Refrigeration of Solids VIII CY FEB 11-12, 2015 CL San Francisco, CA SP SPIE DE Anti-Stokes fluorescence; laser cooling of solids; vertical external-cavity surface-emitting lasers; coupled-cavities; Fabry-Perot cavity ID SURFACE-EMITTING LASERS; POWER AB Laser cooling of solids has great potential to achieve an all-solid-state optical cryo-cooler. The advantages of compactness, no vibrations, no moving parts or fluids, and high reliability have motivated intensive research. Increasing the pump power absorption is essential to reach lower temperatures. Here, using a high power broadly tunable InGaAs/GaAs vertical external-cavity surface-emitting laser (VECSEL) we demonstrate how we have increased the pump power absorption in an intra-cavity geometry cooling a 10% Yb:YLF crystal. We also discuss the progress, advantages, and challenges of laser cooling inside a VECSEL cavity, including the VECSEL active region design, cavity design, and cooling sample choice for optimal cooling. A novel method to increase the absorption of the pump power in the crystal has also been proposed. C1 [Ghasemkhani, Mohammadreza; Albrecht, Alexander R.; Melgaard, Seth D.; Seletskiy, Denis V.; Sheik-Bahae, Mansoor] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Melgaard, Seth D.] US Air Force, Res Lab, Space Vehicles Directorate, Kirtland AFB, NM 87117 USA. [Cederberg, Jeffrey G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Seletskiy, Denis V.] Univ Konstanz, Dept Phys, Constance, Germany. [Seletskiy, Denis V.] Univ Konstanz, Ctr Appl Photon, Constance, Germany. RP Ghasemkhani, M (reprint author), Univ New Mexico, Dept Phys & Astron, 1919 Lomas Blvd NE MSC 07-4220, Albuquerque, NM 87131 USA. NR 18 TC 2 Z9 2 U1 4 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-470-7 J9 PROC SPIE PY 2015 VL 9380 AR 938003 DI 10.1117/12.2080343 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6AI UT WOS:000353692500002 ER PT S AU Hehlen, MP Boncher, WL Love, SP AF Hehlen, Markus P. Boncher, William L. Love, Steven P. BE Epstein, RI Seletskiy, DV SheikBahae, M TI Design study of a laser-cooled infrared sensor SO LASER REFRIGERATION OF SOLIDS VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Refrigeration of Solids VIII CY FEB 11-12, 2015 CL San Francisco, CA SP SPIE DE Solid-state optical refrigeration; cryogenic laser cooling; infrared detector; ray tracing AB The performance of a solid-state optical refrigerator is the result of a complex interplay of numerous optical and thermal parameters. We present a first preliminary study of an optical cryocooler using ray-tracing techniques. A numerical optimization identified a non-resonant cavity with astigmatism. This geometry offered more efficient pump absorption by the YLF: 10%Yb laser-cooling crystal compared to non-resonant cavities without astigmatism that have been pursued experimentally so far. Ray tracing simulations indicate that similar to 80% of the incident pump light can absorbed for temperatures down to similar to 100 K. Calculations of heat loads, cooling power, and net payload heat lift are presented. They show that it is possible to cool a payload to a range of 90-100 K while producing a net payload heat lift of 80 mW and 300 mW when pumping a YLF: 10%Yb crystal with 20 W and 50 W at 1020 nm, respectively. This performance is suited to cool HgCdTe infrared detectors that are used for sensing in the 8-12 mu m atmospheric window. While the detector noise would be similar to 6x greater at 100 K than at 77 K, the laser refrigerator would introduce no vibrations and thus eliminate sources of microphonic noise that are limiting the performance of current systems. C1 [Hehlen, Markus P.; Boncher, William L.; Love, Steven P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hehlen, MP (reprint author), Los Alamos Natl Lab, Mailstop E549, Los Alamos, NM 87545 USA. OI Love, Steven/0000-0003-0588-9622 NR 17 TC 1 Z9 1 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-470-7 J9 PROC SPIE PY 2015 VL 9380 AR 93800I DI 10.1117/12.2077846 PG 15 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6AI UT WOS:000353692500009 ER PT S AU Roder, PB Smith, BE Zhou, XZ Crane, MJ Pauzauskie, PJ AF Roder, Paden B. Smith, Bennett E. Zhou, Xuezhe Crane, Matt J. Pauzauskie, Peter J. BE Epstein, RI Seletskiy, DV SheikBahae, M TI Laser refrigeration of rare-earth-doped nanocrystals in water SO LASER REFRIGERATION OF SOLIDS VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser Refrigeration of Solids VIII CY FEB 11-12, 2015 CL San Francisco, CA SP SPIE DE laser trapping; temperature sensing; nanoparticle laser refrigeration ID OPTICAL TWEEZERS; NANOPARTICLES; PRESSURE; MANIPULATION; RADIATION; CELLS; LIGHT; SEMICONDUCTOR; THERMOMETRY; PARTICLES AB Single-beam laser-tweezers have been demonstrated over the past several decades to confine nanometer-scale particles in three dimensions with sufficient sensitivity to measure the spring constants of individual biological macromolecules including DNA. Large laser-irradiance values (on the order of MW/cm2) commonly are used to generate laser traps which can lead to significant laser-heating within the 3D optical potential well. To date, laser-refrigeration of particles within an aqueous medium has not been reported stemming primarily from the large near-infrared (NIR) optical absorption coefficient of liquid water (0.2 cm-1 at lambda = 1020nm). In this paper we will detail the methods on how single-beam laser-traps can be used to induce and quantify the refrigeration of optically trapped nanocrystals in an aqueous medium. Analysis of the Brownian dynamics of individual nanocrystals via forward light scattering provides a way to determine both a relative and absolute measurement of particle's temperature. Signal analysis considerations to interpreting Brownian motion data of trapped particles in nonisothermal aqueous environments, or so-called hot Brownian motion, are detailed. Applications of these methods to determining local laser-refrigeration of laser trapped nanoparticles in water show promise at realizing the first observation of particles undergoing cold Brownian motion. C1 [Roder, Paden B.; Zhou, Xuezhe; Pauzauskie, Peter J.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. [Smith, Bennett E.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Crane, Matt J.] Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. [Pauzauskie, Peter J.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99354 USA. RP Roder, PB (reprint author), Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. EM peterpz@uw.edu NR 45 TC 0 Z9 0 U1 0 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-470-7 J9 PROC SPIE PY 2015 VL 9380 AR 938007 DI 10.1117/12.2080356 PG 9 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BC6AI UT WOS:000353692500004 ER PT J AU Ristova, MM Milun, M Pejova, B AF Ristova, Mimoza M. Milun, Milorad Pejova, Biljana TI SURFACE ANALYSIS OF ELECTROCHROMIC CuxO FILMS IN THEIR COLORED AND BLEACHED STATES SO MATERIALI IN TEHNOLOGIJE LA English DT Article DE electrochromism; Cu2O; CuO; XPS; XRD; SEM; AFM ID CUPROUS-OXIDE FILMS; OPTICAL-PROPERTIES; SOLAR APPLICATIONS; THIN-FILMS; CU2O; DEPOSITION; CELLS AB CuxO is known as an electrochromic material with a possible applicability for solar-light modulation. The reversible transition between the two different oxidation states, CuO and Cu2O, is responsible for the visible-light switching ability. CuxO films in their as-prepared, colored and bleached states were subjected to a surface analysis in order to relate the bleaching/coloring effects to the quantified Cu-oxide transition. An XPS analysis on the Cu2p electrons of the as-prepared, bleached and colored films showed that the Cu-ion quantity reversibly turning from CuO to Cu2O during the electrochromic cycling was about 3.4 %. An analysis of the XRD patterns of the film's three states confirmed that a small portion of the surface Cu-atoms probably participate in the coloration/bleaching process. Scanning electron microscopy (SEM) images revealed obvious changes in the surface morphology due to bleaching and coloration transitions, particularly in the grain size and porosity of the CuxO films. The surface morphology of the films was also studied with the atomic force microscopy (AFM). This technique allowed significant conclusions to be derived relating to the surface roughness as well as the compositional homogeneity of the films before and after electrochemical treatments. These results appeared to be complementary to those derived from the X-ray diffraction patterns. One may assume that the coloration centers are located at very few film's monolayers of the interface with the electrolyte. C1 [Ristova, Mimoza M.] Inst Phys, Fac Nat Sci & Math, Skopje, Macedonia. [Ristova, Mimoza M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Milun, Milorad] Univ Zagreb, Inst Phys, Zagreb, Croatia. [Pejova, Biljana] Inst Chem, Fac Nat Sci & Math, Skopje, Macedonia. RP Ristova, MM (reprint author), Inst Phys, Fac Nat Sci & Math, POB 162, Skopje, Macedonia. EM mima.ristova@gmail.com NR 25 TC 0 Z9 0 U1 4 U2 14 PU INST ZA KOVINSKE MATERIALE I IN TEHNOLOGIE PI LJUBJANA PA LEPI POT 11, LJUBJANA, 10000, SLOVENIA SN 1580-2949 EI 1580-3414 J9 MATER TEHNOL JI Mater. Tehnol. PY 2015 VL 49 IS 3 BP 387 EP 393 DI 10.17222/mit.2014.092 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA CH4QT UT WOS:000354018700011 ER PT J AU Wang, H Cao, GX Gai, Z Hong, KL Banerjee, P Zhou, SQ AF Wang, Hui Cao, Guixin Gai, Zheng Hong, Kunlun Banerjee, Probal Zhou, Shuiqin TI Magnetic/NIR-responsive drug carrier, multicolor cell imaging, and enhanced photothermal therapy of gold capped magnetite-fluorescent carbon hybrid nanoparticles SO NANOSCALE LA English DT Article ID NEAR-INFRARED LIGHT; SHELL NANOPARTICLES; CONTROLLED-RELEASE; AG NANOCUBES; IN-VITRO; DELIVERY; NANOTUBES; DOTS; TEMPERATURE; GRAPHENE AB This paper reports a type of multifunctional hybrid nanoparticle (NP) composed of gold nanocrystals coated on and/or embedded in a magnetite-fluorescent porous carbon core-shell NP template (Fe3O4@PC-CDs-Au) for biomedical applications, including magnetic/NIR-responsive drug release, multicolor cell imaging, and enhanced photothermal therapy. The synthesis of the Fe3O4@PC-CDs-Au NPs firstly involves the preparation of core-shell template NPs with magnetite nanocrystals clustered in the cores and fluorescent carbon dots (CDs) embedded in a porous carbon shell, followed by an in situ reduction of silver ions (Ag+) loaded in the porous carbon shell and a subsequent replacement of Ag NPs with Au NPs through a galvanic replacement reaction using HAuCl4 as a precursor. The Fe3O4@PC-CDsAu NPs can enter the intracellular region and light up mouse melanoma B16F10 cells in multicolor mode. The porous carbon shell, anchored with hydrophilic hydroxyl/carboxyl groups, endows the Fe3O4@PC-CDs-Au NPs with excellent stability in the aqueous phase and a high loading capacity (719 mg g(-1)) for the anti-cancer drug doxorubicin (DOX). The superparamagnetic Fe3O4@PC-CDs-Au NPs with a saturation magnetization of 23.26 emu g(-1) produce localized heat under an alternating magnetic field, which triggers the release of the loaded drug. The combined photothermal effects of the Au nanocrystals and the CDs on/in the carbon shell can not only regulate the release rate of the loaded drug, but also efficiently kill tumor cells under NIR irradiation. Benefitting from their excellent optical properties, their magnetic field and NIR light-responsive drug release capabilities and their enhanced photothermal effect, such nanostructured Fe3O4@PC-CDs-Au hybrid NPs are very promising for simultaneous imaging diagnostics and high efficacy therapy. C1 [Wang, Hui; Banerjee, Probal; Zhou, Shuiqin] CUNY Coll Staten Isl, Dept Chem, Staten Isl, NY 10314 USA. [Wang, Hui; Banerjee, Probal; Zhou, Shuiqin] CUNY, Grad Ctr, Staten Isl, NY 10314 USA. [Cao, Guixin; Gai, Zheng; Hong, Kunlun] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Cao, Guixin; Gai, Zheng; Hong, Kunlun] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Zhou, SQ (reprint author), CUNY Coll Staten Isl, Dept Chem, Staten Isl, NY 10314 USA. EM shuiqin.zhou@csi.cuny.edu RI wang, hui/G-6433-2015; Cao, Guixin/G-4452-2015; Gai, Zheng/B-5327-2012; Hong, Kunlun/E-9787-2015 OI Cao, Guixin/0000-0002-9252-1158; Gai, Zheng/0000-0002-6099-4559; Hong, Kunlun/0000-0002-2852-5111 FU American Diabetes Association [1-12-BS-243]; PSC-CUNY Research Award [66076-00 44]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX We gratefully acknowledge the financial support from the American Diabetes Association (Basic Science Award 1-12-BS-243) and PSC-CUNY Research Award (66076-00 44). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 62 TC 14 Z9 14 U1 17 U2 160 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 17 BP 7885 EP 7895 DI 10.1039/c4nr07335e PG 11 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CH4DI UT WOS:000353981700046 PM 25854197 ER PT J AU Wang, J Zhou, MJ Tan, GQ Chen, S Wu, F Lu, J Amine, K AF Wang, Jing Zhou, Meijuan Tan, Guoqiang Chen, Shi Wu, Feng Lu, Jun Amine, Khalil TI Encapsulating micro-nano Si/SiOx into conjugated nitrogen-doped carbon as binder-free monolithic anodes for advanced lithium ion batteries SO NANOSCALE LA English DT Article ID ELECTROCHEMICAL PERFORMANCE; SIO ANODE; COMPOSITE; SILICON; NANOCOMPOSITE; CAPACITY; STORAGE; CAPABILITY; REDUCTION; CATHODE AB Silicon monoxide, a promising silicon-based anode candidate for lithium-ion batteries, has recently attracted much attention for its high theoretical capacity, good cycle stability, low cost, and environmental benignity. Currently, the most critical challenge is to improve its low initial coulombic efficiency and significant volume changes during the charge-discharge processes. Herein, we report a binder-free monolithic electrode structure based on directly encapsulating micro-nano Si/SiOx particles into conjugated nitrogen-doped carbon frameworks to form monolithic, multi-core, cross-linking composite matrices. We utilize micro-nano Si/SiOx reduced by high-energy ball-milling SiO as active materials, and conjugated nitrogen-doped carbon formed by the pyrolysis of polyacrylonitrile both as binders and conductive agents. Owing to the high electrochemical activity of Si/SiOx and the good mechanical resiliency of conjugated nitrogen-doped carbon backbones, this specific composite structure enhances the utilization efficiency of SiO and accommodates its large volume expansion, as well as its good ionic and electronic conductivity. The annealed Si/SiOx/polyacrylonitrile composite electrode exhibits excellent electrochemical properties, including a high initial reversible capacity (2734 mA h g(-1) with 75% coulombic efficiency), stable cycle performance (988 mA h g(-1) after 100 cycles), and good rate capability (800 mA h g(-1) at 1 A g(-1) rate). Because the composite is naturally abundant and shows such excellent electrochemical performance, it is a promising anode candidate material for lithium-ion batteries. The binder-free monolithic architectural design also provides an effective way to prepare other monolithic electrode materials for advanced lithium-ion batteries. C1 [Wang, Jing; Zhou, Meijuan; Tan, Guoqiang; Chen, Shi; Wu, Feng] Beijing Inst Technol, Sch Chem Engn & Environm, Beijing Key Lab Environm Sci & Engn, Beijing 100081, Peoples R China. [Wang, Jing; Wu, Feng] Natl Dev Ctr High Technol Green Mat, Beijing 100081, Peoples R China. [Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. RP Tan, GQ (reprint author), Beijing Inst Technol, Sch Chem Engn & Environm, Beijing Key Lab Environm Sci & Engn, Beijing 100081, Peoples R China. EM tgq1123@sina.cn; wufeng863@bit.edu.cn; junlu@anl.gov FU Special fund of Beijing Co-construction Project; National Natural Science Foundation of China [2113011]; National High-tech 863 Program [2011AA11A234]; Beijing Institute of Technology [20131042008]; U.S. Department of Energy [DE-AC0206CH11357] FX This work was financially supported by the Special fund of Beijing Co-construction Project, National Natural Science Foundation of China (grant no. 2113011), National High-tech 863 Program (grant no. 2011AA11A234), and Beijing Institute of Technology funding (20131042008). This work was also supported by the U.S. Department of Energy under Contract DE-AC0206CH11357 with the main support provided by the Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE). NR 46 TC 14 Z9 14 U1 24 U2 128 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 17 BP 8023 EP 8034 DI 10.1039/c5nr01209k PG 12 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CH4DI UT WOS:000353981700061 PM 25865463 ER PT J AU Prasai, B Ren, Y Shan, SY Zhao, YG Cronk, H Luo, J Zhong, CJ Petkov, V AF Prasai, Binay Ren, Yang Shan, Shiyao Zhao, Yinguang Cronk, Hannah Luo, Jin Zhong, Chuan-Jian Petkov, Valeri TI Synthesis-atomic structure-properties relationships in metallic nanoparticles by total scattering experiments and 3D computer simulations: case of Pt-Ru nanoalloy catalysts SO NANOSCALE LA English DT Article ID FINNIS-SINCLAIR POTENTIALS; CORE-SHELL NANOPARTICLES; FUEL-CELL CATALYSTS; X-RAY-DIFFRACTION; CARBON-MONOXIDE; ETHANOL ELECTROOXIDATION; INTERMETALLIC COMPOUNDS; MAGNETIC NANOPARTICLES; SURFACE SEGREGATION; OXIDATION AB An approach to determining the 3D atomic structure of metallic nanoparticles (NPs) in fine detail and using the unique knowledge obtained for rationalizing their synthesis and properties targeted for optimization is described and exemplified on Pt-Ru alloy NPs of importance to the development of devices for clean energy conversion such as fuel cells. In particular, PtxRu100-x alloy NPs, where x = 31, 49 and 75, are synthesized by wet chemistry and activated catalytically by a post-synthesis treatment involving heating under controlled N-2-H-2 atmosphere. So-activated NPs are evaluated as catalysts for gas-phase CO oxidation and ethanol electro-oxidation reactions taking place in fuel cells. Both as-synthesized and activated NPs are characterized structurally by total scattering experiments involving high-energy synchrotron X-ray diffraction coupled to atomic pair distribution functions (PDFs) analysis. 3D structure models both for as-synthesized and activated NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modelling Sutton-Chen method. Models are refined against the experimental PDF data by reverse Monte Carlo simulations and analysed in terms of prime structural characteristics such as metal-to-metal bond lengths, bond angles and first coordination numbers for Pt and Ru atoms. Analysis indicates that, though of a similar type, the atomic structure of as-synthesized and respective activated NPs differ in several details of importance to NP catalytic properties. Structural characteristics of activated NPs and data for their catalytic activity are compared side by side and strong evidence found that electronic effects, indicated by significant changes in Pt-Pt and Ru-Ru metal bond lengths at NP surface, and practically unrecognized so far atomic ensemble effects, indicated by distinct stacking of atomic layers near NP surface and prevalence of particular configurations of Pt and Ru atoms in these layers, contribute to the observed enhancement of the catalytic activity of PtxRu100-x alloy NPs at x similar to 50. Implications of so-established relationships between the atomic structure and catalytic activity of Pt-Ru alloy NPs on efforts aimed at improving further the latter by tuning-up the former are discussed and the usefulness of detailed NP structure studies to advancing science and technology of metallic NPs - exemplified. C1 [Prasai, Binay; Petkov, Valeri] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48858 USA. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. [Shan, Shiyao; Zhao, Yinguang; Cronk, Hannah; Luo, Jin; Zhong, Chuan-Jian] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA. RP Petkov, V (reprint author), Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48858 USA. EM petko1vg@cmich.edu RI Zhong, Chuan-Jian/D-3394-2013 FU DOE-BES [DE-SC0006877]; DOE [DEAC02-06CH11357] FX Work on this paper was supported by DOE-BES Grant DE-SC0006877. Work at the Advanced Photon Source was supported by DOE under Contract DEAC02-06CH11357. NR 82 TC 7 Z9 7 U1 11 U2 50 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2015 VL 7 IS 17 BP 8122 EP 8134 DI 10.1039/c5nr00800j PG 13 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CH4DI UT WOS:000353981700073 PM 25874741 ER PT S AU Merkle, LD Zhang, J Allen, G Dawson, JW Dubinskii, M AF Merkle, Larry D. Zhang, Jun Allen, Graham Dawson, Jay W. Dubinskii, Mark BE Jiang, S Digonnet, MJF TI Raman Gain of SiC as a Potential Medium for Raman Lasers SO OPTICAL COMPONENTS AND MATERIALS XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Optical Components and Materials XII CY FEB 09-11, 2015 CL San Francisco, CA SP SPIE DE Raman gain; Raman laser; SiC ID POLYTYPES AB We have investigated stimulated Raman scattering in the 4H polytype of SiC, due to its excellent thermal conductivity which is of great importance for power scaling of Raman lasers. Spectroscopy verifies the sample's polytype and precludes any significant admixture of other polytypes. Tests indicate the moderate optical quality of this commercially available sample. Using pump-probe measurements around 1030 nm, we find the Raman gain coefficient of the major peak at 777 cm(-1) to be 0.46 cm/GW. Although this value is only modest, calculations and experience with other Raman materials indicate that Raman lasing of 4H SiC should be possible with reasonable intensities of 1064-nm pulsed pumping. C1 [Merkle, Larry D.; Zhang, Jun; Dubinskii, Mark] RDRL SEE L, Army Res Lab, Adelphi, MD 20783 USA. [Allen, Graham; Dawson, Jay W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Merkle, LD (reprint author), RDRL SEE L, Army Res Lab, 2800 Powder Mill Rd, Adelphi, MD 20783 USA. EM larry.d.merkle.civ@mail.mil NR 8 TC 0 Z9 0 U1 1 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-449-3 J9 PROC SPIE PY 2015 VL 9359 AR 935904 DI 10.1117/12.2077299 PG 6 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA BC6OT UT WOS:000354268500003 ER PT J AU Bao, Y Martin, RL Haranczyk, M Deem, MW AF Bao, Yi Martin, Richard L. Haranczyk, Maciej Deem, Michael W. TI In silico prediction of MOFs with high deliverable capacity or internal surface area SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID METAL-ORGANIC FRAMEWORKS; STRUCTURE-DIRECTING AGENTS; HYDROGEN STORAGE; INDUSTRIAL APPLICATIONS; METHANE STORAGE; GAS-STORAGE; DESIGN; CHEMISTRY; SEPARATIONS; MOLECULES AB Metal-organic frameworks (MOFs) offer unprecedented atom-scale design and structural tunability, largely due to the vast number of possible organic linkers which can be utilized in their assembly. Exploration of this space of linkers allows identification of ranges of achievable material properties as well as discovery of optimal materials for a given application. Experimental exploration of the linker space has to date been quite limited due to the cost and complexity of synthesis, while high-throughput computational studies have mainly explored MOF materials based on known or readily available linkers. Here an evolutionary algorithm for de novo design of organic linkers for metal-organic frameworks is used to predict MOFs with either high methane deliverable capacity or methane accessible surface area. Known chemical reactions are applied in silico to a population of linkers to discover these MOFs. Through this design strategy, MOF candidates are found in the ten symmetric networks acs, cds, dia, hxg, lvt, nbo, pcu, rhr, sod, and tbo. The correlation between deliverable capacities and surface area is network dependent. C1 [Bao, Yi; Deem, Michael W.] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. [Martin, Richard L.; Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Deem, Michael W.] Rice Univ, Dept Bioengn, Houston, TX 77005 USA. [Deem, Michael W.] Rice Univ, Grad Program Syst Synthet & Phys Biol, Houston, TX 77005 USA. RP Deem, MW (reprint author), Rice Univ, Dept Phys & Astron, 6100 Main St,MS-61, Houston, TX 77005 USA. EM mwdeem@rice.edu RI Haranczyk, Maciej/A-6380-2014; Bao, Yi/M-2426-2015; Deem, Michael/P-3595-2014 OI Haranczyk, Maciej/0000-0001-7146-9568; Bao, Yi/0000-0002-8882-7891; Deem, Michael/0000-0002-4298-3450 FU Office of Basic Sciences of the US Department of Energy [DE-FG02-12ER16362, DE-FG02-03ER15456] FX We thank Frits Daeyaert and Wendy L. Queen for useful discussion. This research was supported by the Office of Basic Sciences of the US Department of Energy under grants DE-FG02-12ER16362 and DE-FG02-03ER15456. NR 43 TC 7 Z9 7 U1 0 U2 16 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 2015 VL 17 IS 18 BP 11962 EP 11973 DI 10.1039/c5cp00002e PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CH1FV UT WOS:000353767500005 PM 25716343 ER PT J AU Zhang, XW Lin, SB Lin, T Zhang, P Xu, J Xu, L Chen, KJ AF Zhang, Xiaowei Lin, Shaobing Lin, Tao Zhang, Pei Xu, Jun Xu, Ling Chen, Kunji TI Improved sensitization efficiency in Er3+ ions and SnO2 nanocrystals co-doped silica thin films SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID RESONANCE ENERGY-TRANSFER; MU-M PHOTOLUMINESCENCE; INFRARED-EMISSION; UP-CONVERSION; COMPOSITES AB Er3+ ions and SnO2 nanocrystals co-doped silica thin films are prepared by an improved sol-gel spin-coating method. With increase in annealing temperature, the related 1.54 mm characteristic emission intensity from Er3+ ions is obviously enhanced by more than two orders of magnitude via SnO2 nanocrystals size control to boost the sensitization efficiency. Quantitative studies of steady-state spectroscopic data and fluorescence decay curves demonstrate that the related sensitization efficiency via size-tunable nanocrystals is increased from 0.14% to 1.3%. This improved sensitization efficiency is achieved by doping some of the Er3+ ions into the SnO2 inner sites at a high annealing temperature, as revealed by high-resolution TEM, X-ray diffraction patterns and elemental mapping technique. Different sensitization mechanisms are also discussed separately according to the selective photoluminescence excitation measurements. All these results have not only explained the greatly improved sensitization efficiency resulting from SnO2 nanocrystals but also indicated that the development of Er3+ ions and SnO2 nanocrystals co-doped silica thin films could result in promising high-performance near-infrared luminous materials using broadband UV pumping. C1 [Zhang, Xiaowei; Lin, Shaobing; Lin, Tao; Zhang, Pei; Xu, Jun; Xu, Ling; Chen, Kunji] Nanjing Univ, Natl Lab Solid State Microstruct, Sch Elect Sci & Engn, Nanjing 210093, Jiangsu, Peoples R China. [Zhang, Xiaowei; Lin, Shaobing; Lin, Tao; Zhang, Pei; Xu, Jun; Xu, Ling; Chen, Kunji] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Zhang, Xiaowei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Lin, Tao] Guangxi Univ, Dept Phys, Nanning 530004, Peoples R China. [Zhang, Pei] Zhengzhou Univ Light Ind, Dept Elect & Informat Engn, Henan Key Lab Informat Based Elect Appliances, Zhengzhou 450002, Peoples R China. RP Xu, J (reprint author), Nanjing Univ, Natl Lab Solid State Microstruct, Sch Elect Sci & Engn, Nanjing 210093, Jiangsu, Peoples R China. EM xiaoweizhang@lbl.gov; junxu@nju.edu.cn FU "973 program" [2013CB632101]; NSFC [11274155]; PAPD; China Scholarship Council [201406190080]; Scientific Research Foundation of Graduate School of Nanjing University [2014CL01] FX This work is supported by "973 program" (2013CB632101), NSFC (11274155) and PAPD. One of the authors X. Zhang also acknowledges the State-Sponsored Study Abroad Programs of China Scholarship Council (201406190080) and the Scientific Research Foundation of Graduate School of Nanjing University (2014CL01). NR 32 TC 4 Z9 4 U1 8 U2 23 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 2015 VL 17 IS 18 BP 11974 EP 11980 DI 10.1039/c5cp00246j PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CH1FV UT WOS:000353767500006 PM 25779974 ER PT J AU Scheer, AM Welz, O Vasu, SS Osborn, DL Taatjes, CA AF Scheer, Adam M. Welz, Oliver Vasu, Subith S. Osborn, David L. Taatjes, Craig A. TI Low temperature (550-700 K) oxidation pathways of cyclic ketones: dominance of HO2-elimination channels yielding conjugated cyclic coproducts SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID SET MODEL CHEMISTRY; COMBUSTION CHEMISTRY; ENDOPHYTIC FUNGI; BIOFUELS; REARRANGEMENT; KINETICS; HYDROCARBONS; RADICALS; ACYL AB The low-temperature oxidation of three cyclic ketones, cyclopentanone (CPO; C5H8=O), cyclohexanone (CHO; C6H10=O), and 2-methyl-cyclopentanone (2-Me-CPO; CH3-C5H7=O), is studied between 550 and 700 K and at 4 or 8 Torr total pressure. Initial fuel radicals R are formed via fast H-abstraction from the ketones by laser-photolytically generated chlorine atoms. Intermediates and products from the subsequent reactions of these radicals in the presence of excess O-2 are probed with time and isomeric resolution using multiplexed photoionization mass spectrometry with tunable synchrotron ionizing radiation. For CPO and CHO the dominant product channel in the R + O-2 reactions is chain-terminating HO2-elimination yielding the conjugated cyclic coproducts 2-cyclopentenone and 2-cyclohexenone, respectively. Results on oxidation of 2-Me-CPO also show a dominant contribution from HO2-elimination. The photoionization spectrum of the co-product suggests formation of 2-methyl-2-cyclopentenone and/or 2-cyclohexenone, resulting from a rapid Dowd-Beckwith rearrangement, preceding addition to O-2, of the initial (2-oxocyclopentyl) methyl radical to 3-oxocyclohexyl. Cyclic ethers, markers for hydroperoxyalkyl radicals (QOOH), key intermediates in chain-propagating and chain-branching low-temperature combustion pathways, are only minor products. The interpretation of the experimental results is supported by stationary point calculations on the potential energy surfaces of the associated R + O-2 reactions at the CBS-QB3 level. The calculations indicate that HO2-elimination channels are energetically favored and product formation via QOOH is disfavored. The prominence of chain-terminating pathways linked with HO2 formation in low-temperature oxidation of cyclic ketones suggests little low-temperature reactivity of these species as fuels in internal combustion engines. C1 [Scheer, Adam M.; Welz, Oliver; Vasu, Subith S.; Osborn, David L.; Taatjes, Craig A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Taatjes, CA (reprint author), Sandia Natl Labs, Combust Res Facil, MS 9055, Livermore, CA 94551 USA. EM cataatj@sandia.gov FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; United States Department of Energy's National Nuclear Security Administration [DEAC04-94AL85000]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX A preliminary account of some of the experimental work described here appeared in a publicly available Sandia National Laboratories internal report (ref. 4). The authors thank Dr Arkke J. Eskola, Dr John D. Savee and Dr Judit Zador for useful discussions and experimental support and Mr Howard Johnsen and Mr Kendrew Au for continued technical support of these experiments. The first experiments for this work were supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Additional experiments, theoretical analysis, and the development and maintenance of the photoionization mass spectrometry apparatus were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DEAC04-94AL85000. This work used resources of Advanced Light Source, an Office of Science User Facility 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 31 TC 4 Z9 4 U1 3 U2 30 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 2015 VL 17 IS 18 BP 12124 EP 12134 DI 10.1039/c4cp06097k PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CH1FV UT WOS:000353767500021 PM 25877515 ER PT J AU Barenblatt, GI Chorin, AJ Prostokishin, VM AF Barenblatt, G. I. Chorin, A. J. Prostokishin, V. M. TI On the problem of turbulent flows in pipes at very large Reynolds numbers (reply to comment by I I Vigdorovich [Phys. Usp. 58 196 (2015); Usp Fiz. Nauk 185 213 (2015)] on "Turbulent flows at very large Reynolds numbers: new lessons learned" [Phys. Usp. 57 250 (2014); Usp Fiz. Nauk 184 265 (2014)]) SO PHYSICS-USPEKHI LA English DT Letter DE turbulence; intermediate asymptotic laws; asymptotic at high Reynolds numbers; turbulent flow in pipes; scaling laws; universal logarithmic law AB The problem of turbulent flow in pipes, although at first sight of purely engineering interest, has since the 1930s been the subject of much attention by mathematicians and physicists, including such outstanding figures as Th von Karman, L Prandtl, and L D Landau. It has turned out that despite - or perhaps due to - the seemingly simple formulation of this problem, research on it has revealed new aspects of the still very mysterious phenomenon of turbulence. Reference RI briefly summarizes our work over the last twenty years on the problem. Some of our results strongly disagree with commonly accepted views which, unsurprisingly, makes them difficult to accept. This is well exemplified by letter PI, so its analysis here may hopefully be of interest to UFN's (Physics - Uspekhi) readers. C1 [Barenblatt, G. I.; Prostokishin, V. M.] Russian Acad Sci, PP Shirshov Oceanol Inst, Moscow 119997, Russia. [Barenblatt, G. I.; Chorin, A. J.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Barenblatt, G. I.; Chorin, A. J.; Prostokishin, V. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Prostokishin, V. M.] Natl Res Nucl Univ MEPhI, Moscow 115409, Russia. RP Barenblatt, GI (reprint author), Russian Acad Sci, PP Shirshov Oceanol Inst, Nakhimovskii Prosp 36, Moscow 119997, Russia. EM gibar@math.berkeley.edu; chorin@math.berkeley.edu; VMProstokishin@mephi.ru NR 14 TC 1 Z9 1 U1 0 U2 3 PU TURPION LTD PI BRISTOL PA C/O TURPION LTD, IOP PUBLISHING, TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6HG, ENGLAND SN 1063-7869 EI 1468-4780 J9 PHYS-USP+ JI Phys. Usp. PY 2015 VL 58 IS 2 BP 199 EP 201 DI 10.3367/UFNr.0185.201502h.0217 PG 3 WC Physics, Multidisciplinary SC Physics GA CH3RA UT WOS:000353946800007 ER PT J AU Dash, JK Chen, L Topka, MR Dinolfo, PH Zhang, LH Kisslinger, K Lu, TM Wang, GC AF Dash, J. K. Chen, L. Topka, Michael R. Dinolfo, Peter H. Zhang, L. H. Kisslinger, K. Lu, T. -M. Wang, G. -C. TI A simple growth method for Nb2O5 films and their optical properties SO RSC ADVANCES LA English DT Article ID X-RAY REFLECTIVITY; THIN-FILMS; NIOBIUM PENTOXIDE; ROUGH SURFACES; SOLAR-CELLS; OXIDE; NANOWIRES; TEMPERATURES; SCATTERING; NANOTUBES AB A simple method for the synthesis of Nb2O5 films of thicknesses ranging from tens to several hundreds of nanometers on amorphous silicon dioxide or quartz substrates is presented. Nb2O5 films were formed by annealing the sputter deposited Nb films under an Ar flow and without oxygen plasma in a quartz tube within a furnace at 850 degrees C. The structural, compositional, optical, and vibrational properties were characterized by grazing incidence X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, ultraviolet visible spectroscopy, and Raman scattering. Each of the Nb2O5 films is polycrystalline with an orthorhombic crystal structure. We observed vibrational modes including longitudinal optical, transverse optical, and triply degenerate modes, and measured the indirect optical band gap to be similar to 3.65 eV. The transmittance spectrum of the similar to 20 nm thick Nb2O5 film shows over 90% transmittance below the band gap energy in the visible wavelength range and decreases to less than 20% in the ultraviolet regime. The optical properties of the films in the UV-vis range show potential applications as UV detectors. C1 [Dash, J. K.; Chen, L.; Lu, T. -M.; Wang, G. -C.] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [Topka, Michael R.; Dinolfo, Peter H.] Rensselaer Polytech Inst, Dept Chem & Chem Biol, Troy, NY 12180 USA. [Zhang, L. H.; Kisslinger, K.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Dash, JK (reprint author), Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, 110 8th St, Troy, NY 12180 USA. EM jatiskumar@gmail.com RI Kisslinger, Kim/F-4485-2014; chen, liang/L-9868-2013; Dinolfo, Peter/C-2145-2009; Zhang, Lihua/F-4502-2014 OI chen, liang/0000-0002-1680-2628; Dinolfo, Peter/0000-0003-0153-0006; FU New York State Foundation of Science, Technology and Innovation (NYSTAR) through Focus Center-New York; Rensselaer; U.S. department of Energy, Office of Basic Sciences [DE-AC02-98CH10886]; National Science Foundation [CHE-1255100] FX This work is supported by New York State Foundation of Science, Technology and Innovation (NYSTAR) through Focus Center-New York, and Rensselaer. TEM study was carried out in whole at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is operated by the U.S. department of Energy, Office of Basic Sciences, under contract no. DE-AC02-98CH10886. PHD acknowledges support from the National Science Foundation CHE-1255100. We thank A. Littlejohn for editing the manuscript. NR 51 TC 1 Z9 1 U1 5 U2 44 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2015 VL 5 IS 45 BP 36129 EP 36139 DI 10.1039/c5ra05074j PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA CG9PK UT WOS:000353648400096 ER PT J AU Weck, PF Kim, E Biedermann, GW AF Weck, Philippe F. Kim, Eunja Biedermann, Grant W. TI Interaction of cesium adatoms with free-standing graphene and graphene-veiled SiO2 surfaces SO RSC ADVANCES LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; AUGMENTED-WAVE METHOD; SUBSTRATE; ADSORPTION; ENERGY AB The interaction of Cs adatoms with mono-or bi-layered graphene (MLG and BLG), either free-standing or on a SiO2 substrate, was investigated using density functional theory. The most stable adsorption sites for Cs are found to be hollow sites on both graphene sheets and graphene-veiled SiO2(0001). Larger dipole moments are created when a MLG-veiled SiO2(0001) substrate is used for adsorption of Cs atoms compared to the adsorption on free-standing MLG, due to charge transfer occurring between the MLG and the SiO2 substrate. For the adsorption of Cs on BLG-veiled SiO2(0001) substrate, these differences are smoothed out and the binding energies corresponding to different sites are nearly degenerate; smaller dipole moments created by the Cs adatoms on BLG compared to MLG are also predicted. C1 [Weck, Philippe F.; Biedermann, Grant W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Kim, Eunja] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. RP Weck, PF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pfweck@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 32 TC 1 Z9 1 U1 2 U2 9 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2015 VL 5 IS 48 BP 38623 EP 38629 DI 10.1039/c5ra03599f PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA CH3WF UT WOS:000353960800079 ER PT J AU Dongarra, J Gates, M Haidar, A Jia, Y Kabir, K Luszczek, P Tomov, S AF Dongarra, Jack Gates, Mark Haidar, Azzam Jia, Yulu Kabir, Khairul Luszczek, Piotr Tomov, Stanimire TI HPC Programming on Intel Many-Integrated-Core Hardware with MAGMA Port to Xeon Phi SO SCIENTIFIC PROGRAMMING LA English DT Article AB This paper presents the design and implementation of several fundamental dense linear algebra (DLA) algorithms for multicore with Intel Xeon Phi coprocessors. In particular, we consider algorithms for solving linear systems. Further, we give an overview of the MAGMA MIC library, an open source, high performance library, that incorporates the developments presented here and, more broadly, provides the DLA functionality equivalent to that of the popular LAPACK library while targeting heterogeneous architectures that feature a mix of multicore CPUs and coprocessors. The LAPACK-compliance simplifies the use of the MAGMA MIC library in applications, while providing them with portably performant DLA. High performance is obtained through the use of the high-performance BLAS, hardware-specific tuning, and a hybridization methodology whereby we split the algorithm into computational tasks of various granularities. Execution of those tasks is properly scheduled over the heterogeneous hardware by minimizing data movements and mapping algorithmic requirements to the architectural strengths of the various heterogeneous hardware components. Our methodology and programming techniques are incorporated into the MAGMA MIC API, which abstracts the application developer from the specifics of the Xeon Phi architecture and is therefore applicable to algorithms beyond the scope of DLA. C1 [Dongarra, Jack; Gates, Mark; Haidar, Azzam; Jia, Yulu; Kabir, Khairul; Luszczek, Piotr; Tomov, Stanimire] Univ Tennessee, Knoxville, TN 37996 USA. [Dongarra, Jack] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Dongarra, Jack] Univ Manchester, Manchester M13 9PL, Lancs, England. RP Luszczek, P (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM luszczek@eecs.utk.edu FU Russian Scientific Fund [N14-11-00190]; National Science Foundation [ACI-1339822] FX This work was funded in part by the financial support of the Russian Scientific Fund Agreement N14-11-00190. The authors would like to thank the National Science Foundation for supporting this work under Grant no. ACI-1339822 and the Department of Energy and ISTC for Big Data for supporting this research effort. NR 26 TC 1 Z9 1 U1 0 U2 5 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1058-9244 EI 1875-919X J9 SCI PROGRAMMING-NETH JI Sci. Program. PY 2015 AR 502593 DI 10.1155/2015/502593 PG 11 WC Computer Science, Software Engineering SC Computer Science GA CH9DZ UT WOS:000354337500001 ER PT J AU Wilkening, J Cerfon, A AF Wilkening, Jon Cerfon, Antoine TI A SPECTRAL TRANSFORM METHOD FOR SINGULAR STURM-LIOUVILLE PROBLEMS WITH APPLICATIONS TO ENERGY DIFFUSION IN PLASMA PHYSICS SO SIAM JOURNAL ON APPLIED MATHEMATICS LA English DT Article DE Sturm-Liouville theory; continuous spectrum; Titchmarsh-Weyl m-function; spectral density function; Fokker-Planck collisions; WKB approximation ID ORDINARY DIFFERENTIAL-EQUATIONS; VELOCITY-SPACE DISCRETIZATION; DENSITY-FUNCTIONS; BOLTZMANN-EQUATION; OPERATOR AB We develop a spectrally accurate numerical method to compute solutions of a model PDE used in plasma physics to describe diffusion in velocity space due to Fokker-Planck collisions. The solution is represented as a discrete and continuous superposition of normalizable and non-normalizable eigenfunctions via the spectral transform associated with a singular Sturm-Liouville operator. We present a new algorithm for computing the spectral density function of the operator that uses Chebyshev polynomials to extrapolate the value of the Titchmarsh-Weyl m-function from the complex upper half-plane to the real axis. The eigenfunctions and density function are rescaled, and a new formula for the limiting value of the m-function is derived to avoid amplification of roundoff errors when the solution is reconstructed. The complexity of the algorithm is also analyzed, showing that the cost of computing the spectral density function at a point grows less rapidly than any fractional inverse power of the desired accuracy. A WKB analysis is used to prove that the spectral density function is real analytic. Using this new algorithm, we highlight key properties of the PDE and its solution that have strong implications on the optimal choice of discretization method in large-scale plasma physics computations. C1 [Wilkening, Jon] Univ Calif Berkeley, Dept Math, Berkeley, CA 94721 USA. [Wilkening, Jon] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94721 USA. [Cerfon, Antoine] Courant Inst Math Sci, New York, NY 10012 USA. RP Wilkening, J (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94721 USA. EM wilkening@berkeley.edu; cerfon@cims.nyu.edu FU U.S. Department of Energy, Office of Science, Applied Scientific Computing Research [DE-AC02-05CH11231]; National Science Foundation [DMS-0955078]; U.S. Department of Energy, Office of Science, Fusion Energy Sciences [DE-FG02-86ER53223] FX This author's work was supported in part by the U.S. Department of Energy, Office of Science, Applied Scientific Computing Research, under award DE-AC02-05CH11231, and by the National Science Foundation under award DMS-0955078.; This author's work was supported in part by the U.S. Department of Energy, Office of Science, Fusion Energy Sciences, under award DE-FG02-86ER53223. NR 49 TC 1 Z9 1 U1 4 U2 12 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 0036-1399 EI 1095-712X J9 SIAM J APPL MATH JI SIAM J. Appl. Math. PY 2015 VL 75 IS 2 BP 350 EP 392 DI 10.1137/130941948 PG 43 WC Mathematics, Applied SC Mathematics GA CH3YU UT WOS:000353968000005 ER PT J AU Saye, RI AF Saye, R. I. TI HIGH-ORDER QUADRATURE METHODS FOR IMPLICITLY DEFINED SURFACES AND VOLUMES IN HYPERRECTANGLES SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE quadrature; integration; implicit surfaces; level set function; level set methods; high order ID LEVEL-SET METHODS; DELTA-FUNCTION INTEGRALS; FINITE-ELEMENT-METHOD; NUMERICAL APPROXIMATION; INTERFACE PROBLEMS; DOMAINS AB A high-order accurate numerical quadrature algorithm is presented for the evaluation of integrals over curved surfaces and volumes which are defined implicitly via a fixed isosurface of a given function restricted to a given hyperrectangle. By converting the implicitly defined geometry into the graph of an implicitly defined height function, the approach leads to a recursive algorithm on the number of spatial dimensions which requires only one-dimensional root finding and one-dimensional Gaussian quadrature. The computed quadrature scheme yields strictly positive quadrature weights and inherits the high-order accuracy of Gaussian quadrature: a range of different convergence tests demonstrate orders of accuracy up to 20th order. Also presented is an application of the quadrature algorithm to a high-order embedded boundary discontinuous Galerkin method for solving partial differential equations on curved domains. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Appl Math, Berkeley, CA 94720 USA. RP Saye, RI (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Appl Math, Berkeley, CA 94720 USA. EM rsaye@lbl.gov FU Luis W. Alvarez Postdoctoral Fellowship at Lawrence Berkeley National Laboratory; Laboratory Directed Research and Development Program of LBNL; Applied Mathematics Program of the U.S. DOE Office of Advanced Scientific Computing Research [DE-AC02-05CH11231]; Office of Science of the U.S. DOE [DE-AC02-05CH11231] FX This research was supported by a Luis W. Alvarez Postdoctoral Fellowship at Lawrence Berkeley National Laboratory, by the Laboratory Directed Research and Development Program of LBNL, and by the Applied Mathematics Program of the U.S. DOE Office of Advanced Scientific Computing Research under contract DE-AC02-05CH11231. Some computations used the resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. DOE under contract DE-AC02-05CH11231. NR 34 TC 7 Z9 7 U1 3 U2 5 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2015 VL 37 IS 2 BP A993 EP A1019 DI 10.1137/140966290 PG 27 WC Mathematics, Applied SC Mathematics GA CH2EL UT WOS:000353838400018 ER PT J AU Carlberg, K Tuminaro, R Boggs, P AF Carlberg, Kevin Tuminaro, Ray Boggs, Paul TI PRESERVING LAGRANGIAN STRUCTURE IN NONLINEAR MODEL REDUCTION WITH APPLICATION TO STRUCTURAL DYNAMICS SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE nonlinear model reduction; structure preservation; Lagrangian dynamics; Hamiltonian dynamics; structural dynamics; positive definiteness; matrix symmetry ID PARTIAL-DIFFERENTIAL-EQUATIONS; EMPIRICAL INTERPOLATION; APPROXIMATIONS; SYSTEMS; OUTPUT AB This work proposes a model-reduction methodology that preserves Lagrangian structure and achieves computational efficiency in the presence of high-order nonlinearities and arbitrary parameter dependence. As such, the resulting reduced-order model retains key properties such as energy conservation and symplectic time-evolution maps. We focus on parameterized simple mechanical systems subjected to Rayleigh damping and external forces, and consider an application to nonlinear structural dynamics. To preserve structure, the method first approximates the system's "Lagrangian ingredients"-the Riemannian metric, the potential-energy function, the dissipation function, and the external force-and subsequently derives reduced-order equations of motion by applying the (forced) Euler-Lagrange equation with these quantities. From the algebraic perspective, key contributions include two efficient techniques for approximating parameterized reduced matrices while preserving symmetry and positive definiteness: matrix gappy proper orthogonal decomposition and reduced-basis sparsification. Results for a parameterized truss-structure problem demonstrate the practical importance of preserving Lagrangian structure and illustrate the proposed method's merits: it reduces computation time while maintaining high accuracy and stability, in contrast to existing nonlinear model-reduction techniques that do not preserve structure. C1 [Carlberg, Kevin; Boggs, Paul] Sandia Natl Labs, Quantitat Modeling & Anal Dept, Livermore, CA 94550 USA. [Tuminaro, Ray] Sandia Natl Labs, Numer Anal & Applicat Dept, Livermore, CA 94550 USA. RP Carlberg, K (reprint author), Sandia Natl Labs, Quantitat Modeling & Anal Dept, Livermore, CA 94550 USA. EM ktcarlb@sandia.gov; rstumin@sandia.gov; ptboggs@sandia.gov FU U.S. Department of Energy [DE-AC04-94AL85000]; Department of Energy Office of Advanced Scientific Computing Research [10-014804] FX This research was supported in part by an appointment to the Sandia National Laboratories Truman Fellowship in National Security Science and Engineering, sponsored by Sandia Corporation (a wholly owned subsidiary of Lockheed Martin Corporation) as Operator of Sandia National Laboratories under its U.S. Department of Energy Contract DE-AC04-94AL85000. The authors also acknowledge support by the Department of Energy Office of Advanced Scientific Computing Research under contract 10-014804. NR 27 TC 7 Z9 7 U1 1 U2 3 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2015 VL 37 IS 2 BP B153 EP B184 DI 10.1137/140959602 PG 32 WC Mathematics, Applied SC Mathematics GA CH2EL UT WOS:000353838400025 ER PT J AU Amestoy, PR Duff, IS L'Excellent, JY Rouet, FH AF Amestoy, Patrick R. Duff, Iain S. L'Excellent, Jean-Yves Rouet, Francois-Henry TI PARALLEL COMPUTATION OF ENTRIES OF A(-1) SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE sparse matrices; direct methods for linear system and matrix inversion; parallel algorithms ID ALGORITHM; SYSTEMS; MATRIX AB In this paper, we consider the computation in parallel of several entries of the inverse of a large sparse matrix. We assume that the matrix has already been factorized by a direct method and that the factors are distributed. Entries are efficiently computed by exploiting sparsity of the right-hand sides and the solution vectors in the triangular solution phase. We demonstrate that in this setting, parallelism and computational efficiency are two contrasting objectives. We develop an efficient approach and show its efficiency on a general purpose parallel multifrontal solver. C1 [Amestoy, Patrick R.; Rouet, Francois-Henry] Univ Toulouse, INPT ENSEEIHT IRIT, F-31071 Toulouse, France. [Duff, Iain S.] CERFACS, F-31057 Toulouse, France. [Duff, Iain S.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [L'Excellent, Jean-Yves] Univ Lyon, Inria, F-69364 Lyon 07, France. [L'Excellent, Jean-Yves] Univ Lyon, Lab LIP UMR CNRS ENS Lyon Inria 5668, F-69364 Lyon 07, France. [Rouet, Francois-Henry] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Amestoy, PR (reprint author), Univ Toulouse, INPT ENSEEIHT IRIT, F-31071 Toulouse, France. EM amestoy@enseeiht.fr; duff@cerfacs.fr; jean-yves.l.excellent@ens-lyon.fr; fhrouet@lbl.gov FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; EPSRC [EP/I013067/1]; Office of Science, Office of Advanced Scientific Computing Research, of the U.S. DOE [DE-AC02-05CH11231] FX This work also used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-05CH11231.; This author's research was supported in part by EPSRC grant EP/I013067/1.; This author's research was supported in part by the Director, Office of Science, Office of Advanced Scientific Computing Research, of the U.S. DOE under contract DE-AC02-05CH11231. NR 17 TC 2 Z9 2 U1 0 U2 0 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2015 VL 37 IS 2 BP C268 EP C284 DI 10.1137/120902616 PG 17 WC Mathematics, Applied SC Mathematics GA CH2EL UT WOS:000353838400038 ER PT J AU Ghysels, P Vanroose, W AF Ghysels, Pieter Vanroose, Wim TI MODELING THE PERFORMANCE OF GEOMETRIC MULTIGRID STENCILS ON MULTICORE COMPUTER ARCHITECTURES SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE multigrid; performance model; multicore; bandwidth ID COMPUTATIONS; PARALLELIZATION; OPTIMIZATION AB The basic building blocks of the classic geometric multigrid algorithm all have a low ratio of executed floating point operations per byte fetched from memory. On modern computer architectures, such computational kernels are typically bound by memory traffic and achieve only a small percentage of the theoretical peak floating point performance of the underlying hardware. We suggest the use of state-of-the-art (stencil) compiler techniques to improve the flop per byte ratio, also called the arithmetic intensity, of the steps in the algorithm. Our focus will be on the smoother which is a repeated stencil application. With a tiling approach based on the polyhedral loop optimization framework, data reuse in the smoother can be improved, leading to a higher effective arithmetic intensity. For an academic constant coefficient Poisson problem, we present a performance model for the multigrid V -cycle solver based on the tiled smoother. For increasing numbers of smoothing steps, there is a trade-off between the improved efficiency due to better data reuse and the additional flops required for extra smoothing steps. Our performance model predicts time to solution by linking convergence rate to arithmetic intensity via the roofline model. We show results for two-dimensional (2D) and three-dimensional (3D) simulations on Intel Sandy Bridge and for 2D simulations on Intel Xeon Phi architectures. The actual performance is compared with the theoretical predictions. C1 [Ghysels, Pieter; Vanroose, Wim] Univ Antwerp, Dept Math & Comp Sci, B-2020 Antwerp, Belgium. [Ghysels, Pieter] Intel ExaSci Lab, B-3001 Louvain, Belgium. [Ghysels, Pieter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Ghysels, P (reprint author), Univ Antwerp, Dept Math & Comp Sci, Middelheimlaan 1, B-2020 Antwerp, Belgium. EM pghysels@lbl.gov; wim.vanroose@ua.ac.be FU Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT); DOE Office of Advanced Scientific Computing Research [DE-AC02-05CH11231] FX This work is funded by Intel and by the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT). All authors from Lawrence Berkeley National Laboratory were supported by the DOE Office of Advanced Scientific Computing Research under contract number DE-AC02-05CH11231. The U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. Copyright is owned by SIAM to the extent not limited by these rights. NR 43 TC 1 Z9 1 U1 0 U2 3 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2015 VL 37 IS 2 BP C194 EP C216 DI 10.1137/130935781 PG 23 WC Mathematics, Applied SC Mathematics GA CH2EL UT WOS:000353838400035 ER PT S AU DeVore, PTS Jiang, YS Lynch, M Miyatake, T Carmona, C Chan, AC Muniam, K Jalali, B AF DeVore, Peter T. S. Jiang, Yunshan Lynch, Michael Miyatake, Taira Carmona, Christopher Chan, Andrew C. Muniam, Kuhan Jalali, Bahram BE Reed, GT Watts, MR TI Silicon Photonics Cloud (SiCloud) SO SILICON PHOTONICS X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Silicon Photonics X CY FEB 09-12, 2015 CL San Francisco, CA SP SPIE DE silicon photonics calculator; silicon photonics simulation; silicon photonics tool; silicon photonics cloud; silicon photonics education; silicon; fused silica; material properties; refractive index; absorption; waveguides; optical properties; visualization ID WAVE-GUIDES; GENERATION; LASER AB We present SiCloud (Silicon Photonics Cloud), the first free, instructional web-based research and education tool for silicon photonics. SiCloud's vision is to provide a host of instructional and research web-based tools. Such interactive learning tools enhance traditional teaching methods by extending access to a very large audience, resulting in very high impact. Interactive tools engage the brain in a way different from merely reading, and so enhance and reinforce the learning experience. Understanding silicon photonics is challenging as the topic involves a wide range of disciplines, including material science, semiconductor physics, electronics and waveguide optics. This web-based calculator is an interactive analysis tool for optical properties of silicon and related material (SiO2, Si3N4, Al2O3, etc.). It is designed to be a one stop resource for students, researchers and design engineers. The first and most basic aspect of Silicon Photonics is the Material Parameters, which provides the foundation for the Device, Sub-System and System levels. SiCloud includes the common dielectrics and semiconductors for waveguide core, cladding, and photodetection, as well as metals for electrical contacts. SiCloud is a work in progress and its capability is being expanded. SiCloud is being developed at UCLA with funding from the National Science Foundation's Center for Integrated Access Networks (CIAN) Engineering Research Center. C1 [DeVore, Peter T. S.; Jiang, Yunshan; Lynch, Michael; Miyatake, Taira; Chan, Andrew C.; Jalali, Bahram] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [DeVore, Peter T. S.; Carmona, Christopher; Muniam, Kuhan] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Lynch, Michael] Univ Calif Los Angeles, Dept Comp Sci, Los Angeles, CA 90095 USA. [Miyatake, Taira] Univ Tokyo, Dept Mechano Informat, Tokyo, Japan. [Jalali, Bahram] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA. [Jalali, Bahram] Univ Calif Los Angeles, Dept Bioengn, Los Angeles, CA 90095 USA. [Jalali, Bahram] Univ Calif Los Angeles, David Geffen Sch Med, Dept Surg, Los Angeles, CA 90095 USA. RP DeVore, PTS (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM pdevore@ucla.edu NR 14 TC 1 Z9 1 U1 2 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-457-8 J9 PROC SPIE PY 2015 VL 9367 AR 93670G DI 10.1117/12.2077331 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA BC6QD UT WOS:000354373600012 ER PT J AU Kalathi, JT Kumar, SK Rubinstein, M Grest, GS AF Kalathi, Jagannathan T. Kumar, Sanat K. Rubinstein, Michael Grest, Gary S. TI Rouse mode analysis of chain relaxation in polymer nanocomposites SO SOFT MATTER LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; SOLAR-CELLS; MELTS; LIQUIDS; NANOPARTICLES; DIFFUSION; MIXTURES; TOPOLOGY; TIME AB Large-scale molecular dynamics simulations are used to study the internal relaxations of chains in nanoparticle (NP)/polymer composites. We examine the Rouse modes of the chains, a quantity that is closest in spirit to the self-intermediate scattering function, typically determined in an (incoherent) inelastic neutron scattering experiment. Our simulations show that for weakly interacting mixtures of NPs and polymers, the effective monomeric relaxation rates are faster than in a neat melt when the NPs are smaller than the entanglement mesh size. In this case, the NPs serve to reduce both the monomeric friction and the entanglements in the polymer melt, as in the case of a polymer-solvent system. However, for NPs larger than half the entanglement mesh size, the effective monomer relaxation is essentially unaffected for low NP concentrations. Even in this case, we observe a strong reduction in chain entanglements for larger NP loadings. Thus, the role of NPs is to always reduce the number of entanglements, with this effect only becoming pronounced for small NPs or for high concentrations of large NPs. Our studies of the relaxation of single chains resonate with recent neutron spin echo (NSE) experiments, which deduce a similar entanglement dilution effect. C1 [Kalathi, Jagannathan T.; Kumar, Sanat K.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA. [Kalathi, Jagannathan T.] Natl Inst Technol Karnataka, Dept Chem Engn, Surathkal 575025, KA, India. [Rubinstein, Michael] Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA. [Grest, Gary S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kumar, SK (reprint author), Columbia Univ, Dept Chem Engn, New York, NY 10027 USA. EM sk2794@columbia.edu FU National Science Foundation [DMR-1006514, DMR-1309892, DMR-1436201, DMR-1121107, DMR-1122483]; National Institutes of Health [1-P01-HL108808-01A1]; Cystic Fibrosis Foundation; Office of Science of the United States Department of Energy [DE-AC02-05CH11231]; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Dieter Richter for detailed comments and discussion. JTK and SKK acknowledge financial support from the National Science Foundation (DMR-1006514). MR would like to acknowledge financial support from the National Science Foundation under grants DMR-1309892, DMR-1436201, DMR-1121107, and DMR-1122483, the National Institutes of Health under 1-P01-HL108808-01A1 and the Cystic Fibrosis Foundation. This research used resources obtained through the Advanced Scientific Computing Research (ASCR) Leadership Computing Challenge (ALCC) at the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the United States Department of Energy under Contract No. DE-AC02-05CH11231. This work was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 43 TC 12 Z9 12 U1 12 U2 57 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 2015 VL 11 IS 20 BP 4123 EP 4132 DI 10.1039/c5sm00754b PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA CI0SU UT WOS:000354449100019 PM 25939276 ER PT S AU Oktem, R Romps, DM AF Oektem, Rusen Romps, David M. BE Sitnik, R Puech, W TI Observing Atmospheric Clouds through Stereo Reconstruction SO THREE-DIMENSIONAL IMAGE PROCESSING, MEASUREMENT (3DIPM), AND APPLICATIONS 2015 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Three-Dimensional Image Processing, Measurement (3DIPM), and Applications CY FEB 10-12, 2015 CL San Francisco, CA SP Soc Imaging Sci & Technol, SPIE DE atmospheric clouds; feature extraction; stereo reconstruction; tracking; calibration ID BASE-HEIGHT; PHOTOGRAMMETRY; CONVECTION; CAMERAS; SKY AB Observing cloud lifecycles and obtaining measurements on cloud features are significant problems in atmospheric cloud research. Scanning radars have been the most capable instruments to provide such measurements, but they have shortcomings when it comes to spatial and temporal resolution. High spatial and temporal resolution is particularly important to capture the variations in developing convections. Stereo photogrammetry can complement scanning radars with the potential to observe clouds as distant as tens of kilometers and to provide high temporal and spatial resolution, although it comes with the calibration challenges peculiar to various outdoor settings required to collect measurements on atmospheric clouds. This work explores the use of stereo photogrammetry in atmospheric cloud research, focusing on tracking vertical motion in developing convections. Calibration challenges and strategies to overcome these challenges are addressed within two different stereo settings in Miami, Florida and in the plains of Oklahoma. A feature extraction and matching algorithm is developed and implemented to identify cloud features of interest. A two-level resolution hierarchy is exploited in feature extraction and matching. 3D positions of cloud features are reconstructed from matched pixel pairs, and cloud tops of developing turrets in shallow to deep convection are tracked in time to estimate vertical accelerations. Results show that stereophotogrammetry provides a useful tool to observe cloud lifecycles and track the vertical acceleration of turrets exceeding 10 km height. C1 [Oektem, Rusen; Romps, David M.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Romps, David M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. RP Oktem, R (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, 307 Mc Cone Hall, Berkeley, CA 94720 USA. EM roktem@lbl.gov RI Romps, David/F-8285-2011 NR 21 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-483-7 J9 PROC SPIE PY 2015 VL 9393 AR 93930H DI 10.1117/12.2083395 PG 10 WC Optics; Imaging Science & Photographic Technology SC Optics; Imaging Science & Photographic Technology GA BC6LX UT WOS:000354079300015 ER EF