FN Thomson Reuters Web of Science™ VR 1.0 PT S AU Paris, MW Hale, GM AF Paris, Mark W. Hale, Gerald M. BE Elster, C Phillips, DR Roberts, CD TI Resonance model for the three-body states of the A=6 reactions SO 21ST INTERNATIONAL CONFERENCE ON FEW-BODY PROBLEMS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 21st International Conference on Few-Body Problems in Physics (FB21) CY MAY 18-22, 2015 CL Chicago, IL SP Ohio Univ, Argonne Natl Lab AB We present an R-matrix-based model for three-body final states that has aspects of the Faddeev approach to three-particle scattering. The model is applied to describing the nucleon spectra for breakup reactions in the A = 6 systems. Calculations using a charge-symmetric parametrization agree fairly well with the experimental data, although they indicate larger contributions from the He-5 or Li-5 ground state are necessary. C1 [Paris, Mark W.; Hale, Gerald M.] Los Alamos Natl Lab, Theoret Div T2, Los Alamos, NM 87545 USA. RP Paris, MW (reprint author), Los Alamos Natl Lab, Theoret Div T2, Los Alamos, NM 87545 USA. EM mparis@lanl.gov; ghale@lanl.gov OI Paris, Mark/0000-0003-0471-7896 NR 4 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 2016 VL 113 AR 03002 DI 10.1051/epjconf/201611303002 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BG0KL UT WOS:000386310200026 ER PT S AU Parke, CE Brune, CR Massey, TN O'Donnell, JE Richard, AL Sayre, DB AF Parke, C. E. Brune, C. R. Massey, T. N. O'Donnell, J. E. Richard, A. L. Sayre, D. B. BE Elster, C Phillips, DR Roberts, CD TI The H-3(d,gamma)He-5 Reaction for E-c.m <= 300 keV SO 21ST INTERNATIONAL CONFERENCE ON FEW-BODY PROBLEMS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 21st International Conference on Few-Body Problems in Physics (FB21) CY MAY 18-22, 2015 CL Chicago, IL SP Ohio Univ, Argonne Natl Lab AB The H-3(d, gamma)He-5 reaction has been measured using a 500-keV pulsed deuteron beam incident on a stopping titanium tritide target at Ohio University's Edwards Accelerator Laboratory. The time-oEtlight (TOF) technique has been used to distinguish the gamma-rays from neutrons detected in the bismuth germinate (BOO) gamma-ray detector. A stilbene scintillator and an NE-213 scintillator have been used to detect the neutrons from the H-3(d, n)He-4 reaction using both the pulse-shape discrimination and 'IOU techniques. A newly-designed target holder with a silicon surface barrier detector to simultaneously measure a-particles to normalize the neutron count was incorporated for subsequent measurements. The y-rays have been measured at laboratory angles of 0 degrees, 45 degrees, 90 degrees, and 135 degrees. Information about the y-ray energy distribution for the unbound ground state and first excited state of 511e can be obtained experimentally by comparing the BOO data to Monte Carlo simulations, The H-3(d, gamma)/H-3(d, n) branching ratio has also been determined. C1 [Parke, C. E.; Brune, C. R.; Massey, T. N.; O'Donnell, J. E.; Richard, A. L.] Ohio Univ, Athens, OH 45701 USA. [Sayre, D. B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Parke, CE (reprint author), Ohio Univ, Athens, OH 45701 USA. EM cp260509@ohio.edu NR 3 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 2016 VL 113 AR 03005 DI 10.1051/epjconf/201611303005 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BG0KL UT WOS:000386310200029 ER PT S AU Pastore, S AF Pastore, Saori BE Elster, C Phillips, DR Roberts, CD TI Electromagnetic structure of light nuclei SO 21ST INTERNATIONAL CONFERENCE ON FEW-BODY PROBLEMS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 21st International Conference on Few-Body Problems in Physics (FB21) CY MAY 18-22, 2015 CL Chicago, IL SP Ohio Univ, Argonne Natl Lab ID EFFECTIVE-FIELD THEORY; ELECTRON-DEUTERON SCATTERING; CHIRAL LAGRANGIANS; FORCES; DYNAMICS; SYSTEMS; ORDER AB The present understanding of nuclear electromagnetic properties including electromagnetic moments, form factors and transitions in nuclei with A <= 10 is reviewed. Emphasis is on calculations based on nuclear Hamiltonians that include two- and three-nucleon realistic potentials, along with one- and two-body electromagnetic currents derived from a chiral effective field theory with pions and nucleons. C1 [Pastore, Saori] Univ South Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Pastore, Saori] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Pastore, S (reprint author), Univ South Carolina, Dept Phys & Astron, Columbia, SC 29208 USA.; Pastore, S (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM saori@lanl.gov NR 46 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 2016 VL 113 AR 01008 DI 10.1051/epjconf/201611301008 PG 10 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BG0KL UT WOS:000386310200008 ER PT S AU Pennington, MR AF Pennington, M. R. BE Elster, C Phillips, DR Roberts, CD TI Impressions of the Meson Spectrum: Hybrids & Exotics, present and future SO 21ST INTERNATIONAL CONFERENCE ON FEW-BODY PROBLEMS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 21st International Conference on Few-Body Problems in Physics (FB21) CY MAY 18-22, 2015 CL Chicago, IL SP Ohio Univ, Argonne Natl Lab ID SCALAR GLUEBALL; RESONANCE; MECHANISM; NONET AB It has long been expected that the spectrum of hadrons in QCD would be far richer and extensive than experiment has so far revealed. While there have been experimental hints of this richness for some time, it is really only in the last few years that dramatic progress has been seen in the exploration both experimentally and in calculations on the lattice. Precision studies enabled by new technology both with detectors and high performance computations are converging on an understanding of the spectrum in strong coupling QCD. These methodologies are laying the foundation for a decade of potential discovery that electro and photoproduction experiments at Jefferson Lab, which when combined with key results on B and charmonium decays from both e(+)e(-) and pp colliders, should turn mere impressions of the light meson spectrum into a high definition picture. C1 [Pennington, M. R.] Thomas Jefferson Natl Accelerator Facil, Ctr Theory, 12000 Jefferson Ave, Newport News, VA 23606 USA. RP Pennington, MR (reprint author), Thomas Jefferson Natl Accelerator Facil, Ctr Theory, 12000 Jefferson Ave, Newport News, VA 23606 USA. EM michaelp@jlab.org NR 47 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 2016 VL 113 AR UNSP 01014 DI 10.1051/epjconf/201611301014 PG 9 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BG0KL UT WOS:000386310200014 ER PT S AU Perez, RN Amaro, JE Arriola, ER AF Perez, R. Navarro Amaro, J. E. Ruiz Arriola, E. BE Elster, C Phillips, DR Roberts, CD TI The Falsification of Nuclear Forces SO 21ST INTERNATIONAL CONFERENCE ON FEW-BODY PROBLEMS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 21st International Conference on Few-Body Problems in Physics (FB21) CY MAY 18-22, 2015 CL Chicago, IL SP Ohio Univ, Argonne Natl Lab ID SCATTERING DATA; MODEL AB We review our work on the statistical uncertainty analysis of the NN force. This is based on the Granada-2013 database where a statistically meaningful partial wave analysis comprising a total of 6713 np and pp published scattering data from 1950 till 2013 below pion production threshold has been made. We stress the necessary conditions required for a correct and self-consistent statistical interpretation of the discrepancies between theory and experiment which enable a subsequent statistical error propagation and correlation analysis C1 [Perez, R. Navarro] Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Livermore, CA 94551 USA. [Amaro, J. E.; Ruiz Arriola, E.] Univ Granada, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain. [Amaro, J. E.; Ruiz Arriola, E.] Univ Granada, Inst Carlos Fis Teor & Computac 1, E-18071 Granada, Spain. RP Perez, RN (reprint author), Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Livermore, CA 94551 USA. EM navarroperez1@llnl.gov; amaro@ugr.es; earriola@ugr.es RI Amaro, Jose/K-2551-2012 OI Amaro, Jose/0000-0002-3234-9755 NR 23 TC 0 Z9 0 U1 3 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 2016 VL 113 AR 04021 DI 10.1051/epjconf/201611304021 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BG0KL UT WOS:000386310200065 ER PT S AU Qin, SX AF Qin, Si-xue BE Elster, C Phillips, DR Roberts, CD TI A systematic approach to sketch Bethe-Salpeter equation SO 21ST INTERNATIONAL CONFERENCE ON FEW-BODY PROBLEMS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 21st International Conference on Few-Body Problems in Physics (FB21) CY MAY 18-22, 2015 CL Chicago, IL SP Ohio Univ, Argonne Natl Lab ID GREEN-TAKAHASHI IDENTITIES; VERTEX AB To study meson properties, one needs to solve the gap equation for the quark propagator and the Bethe-Salpeter (BS) equation for the meson wavefunction, self-consistently. The gluon propagator, the quark-gluon vertex, and the quark-anti-quark scattering kernel are key pieces to solve those equations. Predicted by lattice-QCD and Dyson-Schwinger analyses of QCD's gauge sector, gluons are non-perturbatively massive. In the matter sector, the modeled gluon propagator which can produce a veracious description of meson properties needs to possess a mass scale, accordingly. Solving the well-known longitudinal Ward-Green-Takahashi identities (WGTIs) and the less-known transverse counterparts together, one obtains a nontrivial solution which can shed light on the structure of the quark-gluon vertex. It is highlighted that the phenomenologically proposed anomalous chromomagnetic moment (ACM) vertex originates from the QCD Lagrangian symmetries and its strength is proportional to the magnitude of dynamical chiral symmetry breaking (DCSB). The color-singlet vector and axial-vector WGTIs can relate the BS kernel and the dressed quark-gluon vertex to each other. Using the relation, one can truncate the gap equation and the BS equation, systematically, without violating crucial symmetries, e.g., gauge symmetry and chiral symmetry. C1 [Qin, Si-xue] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Qin, SX (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM sqin@anl.gov NR 12 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 2016 VL 113 AR 05024 DI 10.1051/epjconf/201611305024 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BG0KL UT WOS:000386310200097 ER PT S AU Quaglioni, S Hupin, G Calci, A Navratil, P Roth, R AF Quaglioni, Sofia Hupin, Guillaume Calci, Angelo Navratil, Petr Roth, Robert BE Elster, C Phillips, DR Roberts, CD TI Ab initio calculations of reactions with light nuclei SO 21ST INTERNATIONAL CONFERENCE ON FEW-BODY PROBLEMS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 21st International Conference on Few-Body Problems in Physics (FB21) CY MAY 18-22, 2015 CL Chicago, IL SP Ohio Univ, Argonne Natl Lab ID SCATTERING CROSS-SECTIONS; ELASTIC-SCATTERING; RECOIL; HYDROGEN; PROTONS; HE-4; HELIUM; REGION; IONS AB An ab initio (i.e., from first principles) theoretical framework capable of providing a unified description of the structure and low-energy reaction properties of light nuclei is desirable to further our understanding of the fundamental interactions among nucleons, and provide accurate predictions of crucial reaction rates for nuclear astrophysics, fusion-energy research, and other applications. In this contribution we review ab initio calculations for nucleon and deuterium scattering on light nuclei starting from chiral two-and three-body Hamiltonians, obtained within the framework of the ab initio no-core shell model with continuum. This is a unified approach to nuclear bound and scattering states, in which square-integrable energy eigenstates of the A-nucleon system are coupled to (A - a) + a target-plus-projectile wave functions in the spirit of the resonating group method to obtain an efficient description of the many-body nuclear dynamics both at short and medium distances and at long ranges. C1 [Quaglioni, Sofia; Hupin, Guillaume] Lawrence Livermore Natl Lab, POB 808,L-414, Livermore, CA 94551 USA. [Hupin, Guillaume] Univ Paris 11, IN2P3, CNRS, Inst Phys Nucl, F-91406 Orsay, France. [Calci, Angelo; Navratil, Petr] TRIUMF, 4004 Wesbrook Mall, Vancouver, BC V6T 2A3, Canada. [Roth, Robert] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. RP Quaglioni, S (reprint author), Lawrence Livermore Natl Lab, POB 808,L-414, Livermore, CA 94551 USA. EM quaglionil@llnl.gov; hupin@ipnorsay.in2p3.fr; calci@triumf.ca NR 44 TC 1 Z9 1 U1 4 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 2016 VL 113 DI 10.1051/epjconf/201611301005 PG 9 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BG0KL UT WOS:000386310200005 ER PT S AU Reimer, PE AF Reimer, Paul E. CA Fermilab SeaQuest Collaboration BE Elster, C Phillips, DR Roberts, CD TI Sea Quarks in the Proton SO 21ST INTERNATIONAL CONFERENCE ON FEW-BODY PROBLEMS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 21st International Conference on Few-Body Problems in Physics (FB21) CY MAY 18-22, 2015 CL Chicago, IL SP Ohio Univ, Argonne Natl Lab ID HIGH-ENERGY COLLISIONS; NUCLEON SEA; PARTON DISTRIBUTIONS; HADRON-COLLISIONS; DIMUON PRODUCTION; FLAVOR ASYMMETRY; SCATTERING; SUM AB The proton is a composite particle in which the binding force is responsible for the majority of its mass. To understand this structure, the distributions and origins of the quark-antiquark pairs produced by the strong force must be measured. The SeaQuest collaboration is using the Drell-Yan process to elucidate antiquark distributions in the proton and to study their modification when the proton is held within a nucleus. C1 [Reimer, Paul E.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Reimer, PE (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM reimer@anl.gov NR 24 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 2016 VL 113 AR 05012 DI 10.1051/epjconf/201611305012 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BG0KL UT WOS:000386310200085 ER PT S AU Romero-Redondo, C Quaglioni, S Navratil, P Hupin, G AF Romero-Redondo, Carolina Quaglioni, Sofia Navratil, Petr Hupin, Guillaume BE Elster, C Phillips, DR Roberts, CD TI Advances in the ab initio description of nuclear three-cluster systems SO 21ST INTERNATIONAL CONFERENCE ON FEW-BODY PROBLEMS IN PHYSICS SE EPJ Web of Conferences LA English DT Proceedings Paper CT 21st International Conference on Few-Body Problems in Physics (FB21) CY MAY 18-22, 2015 CL Chicago, IL SP Ohio Univ, Argonne Natl Lab AB We introduce the extension of the ab initio no-core shell model with continuum to describe three-body cluster systems. We present results for the ground state of 6He and show improvements with respect to the description obtained within the no-core shell model and the no-core shell model/resonating group methods. C1 [Romero-Redondo, Carolina; Quaglioni, Sofia] Lawrence Livermore Natl Lab, POB 808,L-414, Livermore, CA 94551 USA. [Navratil, Petr] TRIUMF, 4004 Wesbrook Mall, Vancouver, BC V6T 2A3, Canada. [Hupin, Guillaume] Univ Paris 11, Inst Phys Nucl, CNRS, IN2P3, F-91406 Orsay, France. RP Romero-Redondo, C (reprint author), Lawrence Livermore Natl Lab, POB 808,L-414, Livermore, CA 94551 USA. EM romeroredond1@llnl.gov NR 14 TC 0 Z9 0 U1 2 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 2016 VL 113 AR 03004 DI 10.1051/epjconf/201611303004 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA BG0KL UT WOS:000386310200028 ER PT J AU Kim, H Yoon, G Lim, KM Kang, K AF Kim, Haegyeom Yoon, Gabin Lim, Kyungmi Kang, Kisuk TI A comparative study of graphite electrodes using the co-intercalation phenomenon for rechargeable Li, Na and K batteries SO CHEMICAL COMMUNICATIONS LA English DT Article ID SODIUM-ION BATTERIES; LITHIUM-ION; ANODE; CARBON AB Here, we demonstrate that graphite can serve as a versatile electrode for various rechargeable battery types by reversibly accommodating solvated alkali ions (such as K, Na, and Li) through co-intercalation in its galleries. The co-intercalation of alkali ions is observed to occur via staging reactions. Notably, their insertion behaviors, including their specific capacity, are remarkably similar regardless of the alkali ion species despite the different solubility limits of K, Na, and Li ions in graphite. Nevertheless, the insertion potentials of the solvated alkali ions differ from each other and are observed to be correlated with the interlayer distance in the intercalated graphite gallery. C1 [Kim, Haegyeom; Yoon, Gabin; Lim, Kyungmi; Kang, Kisuk] Seoul Natl Univ, RIAM, Dept Mat Sci & Engn, Gwanak Ro 599, Seoul 151742, South Korea. [Yoon, Gabin; Kang, Kisuk] Seoul Natl Univ, IBS, Ctr Nanoparticle Res, Gwanak Ro 599, Seoul 151742, South Korea. [Kim, Haegyeom] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Kang, K (reprint author), Seoul Natl Univ, RIAM, Dept Mat Sci & Engn, Gwanak Ro 599, Seoul 151742, South Korea.; Kang, K (reprint author), Seoul Natl Univ, IBS, Ctr Nanoparticle Res, Gwanak Ro 599, Seoul 151742, South Korea. EM matlgen1@snu.ac.kr FU Energy Efficiency & Resources of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) - Korean's government Ministry of Trade, Industry Energy (MOTIE) [20132020000270]; Korea Institute of Energy Technology Evaluation and Planning (KETEP); Ministry of Trade, Industry & Energy (MOTIE) of the Republic of Korea [20158510050040] FX This work was supported by (i) the Energy Efficiency & Resources of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korean's government Ministry of Trade, Industry & Energy (MOTIE) (No. 20132020000270) and (ii) the Korea Institute of Energy Technology Evaluation and Planning (KETEP) and the Ministry of Trade, Industry & Energy (MOTIE) of the Republic of Korea (No. 20158510050040). NR 20 TC 0 Z9 0 U1 16 U2 16 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 2016 VL 52 IS 85 BP 12618 EP 12621 DI 10.1039/c6cc05362a PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DZ9SZ UT WOS:000386220600015 PM 27709171 ER PT J AU Manson, JL Schlueter, JA Garrett, KE Goddard, PA Lancaster, T Moller, JS Blundell, SJ Steele, AJ Franke, I Pratt, FL Singleton, J Bendix, J Lapidus, SH Uhlarz, M Ayala-Valenzuela, O McDonald, RD Gurak, M Baines, C AF Manson, Jamie L. Schlueter, John A. Garrett, Kerry E. Goddard, Paul A. Lancaster, Tom Moller, Johannes S. Blundell, Stephen J. Steele, Andrew J. Franke, Isabel Pratt, Francis L. Singleton, John Bendix, Jesper Lapidus, Saul H. Uhlarz, Marc Ayala-Valenzuela, Oscar McDonald, Ross D. Gurak, Mary Baines, Christopher TI Bimetallic MOFs (H3O)(x)[Cu(MF6)(pyrazine)(2)]center dot(4-x)H2O (M = V4+, x=0; M = Ga3+, x=1): co-existence of ordered and disordered quantum spins in the V4+ system SO CHEMICAL COMMUNICATIONS LA English DT Article ID MAGNETIC-PROPERTIES; HEISENBERG ANTIFERROMAGNETS; PYRAZINE LIGANDS; COMPLEXES AB The title compounds are bimetallic MOFs containing [Cu(pyz)(2)](2+) square lattices linked by MF6n- octahedra. In each, only the Cu2+ spins exhibit long-range magnetic order below 3.5 K (M = V4+) and 2.6 K (M = Ga3+). The V4+ spins remain disordered down to 0.5 K. C1 [Manson, Jamie L.; Garrett, Kerry E.] Eastern Washington Univ, Dept Chem & Biochem, Cheney, WA 99004 USA. [Schlueter, John A.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Goddard, Paul A.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Lancaster, Tom] Univ Durham, Ctr Phys Mat, Durham DH1 3LE, England. [Moller, Johannes S.; Blundell, Stephen J.; Steele, Andrew J.; Franke, Isabel] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Pratt, Francis L.] STFC Rutherford Appleton Lab, ISIS Pulsed Muon Facil, Chilton OX11 0QX, Oxon, England. [Singleton, John; Ayala-Valenzuela, Oscar; McDonald, Ross D.; Gurak, Mary] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Bendix, Jesper] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark. [Lapidus, Saul H.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Lemont, IL 60439 USA. [Uhlarz, Marc] Helmholtz Zentrum Dresden Rossendorf, Hochfeld Magnetlab Dresden HLD EMFL, DE-01314 Dresden, Germany. [Baines, Christopher] Paul Scherrer Inst, Lab Muon Spin Spect, CH-5232 Villigen, Switzerland. [Moller, Johannes S.] Swiss Fed Inst Technol, Solid State Phys Lab, Neutron Scattering & Magnetism, Zurich, Switzerland. RP Manson, JL (reprint author), Eastern Washington Univ, Dept Chem & Biochem, Cheney, WA 99004 USA. EM jmanson@ewu.edu FU NSF [DMR-1306158]; UChicago Argonne, LLC; U.S. Department of Energy (DoE) Office of Science Laboratory [AC02-06CH11357]; EPSRC, UK; HLD at HZDR; DoE BES program "Science in 100 T''; State of Florida FX Work at EWU was supported by the NSF under grant no. DMR-1306158. Research supported by UChicago Argonne, LLC, operator of Argonne National Laboratory ("Argonne''). Argonne, a U.S. Department of Energy (DoE) Office of Science Laboratory, is operated under contract no. DE-AC02-06CH11357. This work was also supported by the EPSRC, UK and by the HLD at HZDR, a member of the European Magnetic Field Laboratory (EMFL). We are grateful to the STFC ISIS Facility and to the Swiss Muon Source for the provision of beamtime. Work at the NHMFL was conducted under the auspices of the NSF, the DoE BES program "Science in 100 T'' and the State of Florida. NR 20 TC 0 Z9 0 U1 5 U2 5 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 2016 VL 52 IS 85 BP 12653 EP 12656 DI 10.1039/c6cc05873f PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DZ9SZ UT WOS:000386220600024 PM 27713934 ER PT J AU Hu, SX Gibson, JK Li, WL Van Stipdonk, MJ Martens, J Berden, G Redlich, B Oomens, J Li, J AF Hu, Shu-Xian Gibson, John K. Li, Wan-Lu Van Stipdonk, Michael J. Martens, Jonathan Berden, Giel Redlich, Britta Oomens, Jos Li, Jun TI Electronic structure and characterization of a uranyl di-15-crown-5 complex with an unprecedented sandwich structure SO CHEMICAL COMMUNICATIONS LA English DT Article ID 2-ELECTRON VALENCE INDEXES; TRANSITION-METAL-COMPLEXES; CROWN-ETHER COMPLEXES; BASIS-SETS; INCLUSION COMPLEXES; POPULATION ANALYSIS; CHEMICAL VALENCE; WAVE-FUNCTIONS; DENSITY; ORBITALS AB Understanding of the nature and extent of chemical bonding in uranyl coordination complexes is crucial for the design of new ligands for nuclear waste separation, uranium extraction from seawater, and other applications. We report here the synthesis, infrared spectroscopic characterization, and quantum chemical studies of a molecular uranyl-di-15-crown-5 complex. The structure and bonding of this unique complex featuring a distinctive 6-fold coplanar coordination staggered sandwich structure and an unusual non-perpendicular orientation of the uranyl moiety are evaluated using density functional theory and chemical bonding analyses. The results provide fundamental understanding of the coordination interaction of uranyl with oxygen-donor ligands. C1 [Hu, Shu-Xian; Li, Wan-Lu; Li, Jun] Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China. [Hu, Shu-Xian; Li, Wan-Lu; Li, Jun] Tsinghua Univ, Key Lab Organ Optoelect & Mol Engn, Minist Educ, Beijing 100084, Peoples R China. [Gibson, John K.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Van Stipdonk, Michael J.] Duquesne Univ, Dept Chem & Biochem, Pittsburgh, PA 15282 USA. [Martens, Jonathan; Berden, Giel; Redlich, Britta; Oomens, Jos] Radboud Univ Nijmegen, Inst Mol & Mat, FELIX Lab, Toernooiveld 7c, NL-6525 ED Nijmegen, Netherlands. [Oomens, Jos] Univ Amsterdam, Vant Hoff Inst Mol Sci, Sci Pk 904, NL-1098 XH Amsterdam, Netherlands. RP Li, J (reprint author), Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China.; Li, J (reprint author), Tsinghua Univ, Key Lab Organ Optoelect & Mol Engn, Minist Educ, Beijing 100084, Peoples R China.; Gibson, JK (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM jkgibson@lbl.gov; junli@tsinghua.edu.cn FU National Natural Science Foundation of China [21433005, 91426302, 21590792]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, Heavy Element Chemistry program at LBNL [DE-AC02-05CH11231]; start-up funds from the Bayer School of Natural and Environmental Sciences and Duquesne University; Netherlands Organisation for Scientific Research (NWO) under vici-grant [724.011.002]; Stichting Physica FX The computational work was supported by the National Natural Science Foundation of China (grant no. 21433005, 91426302, and 21590792) [J. L.]. The experimental work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, Heavy Element Chemistry program at LBNL under Contract No. DE-AC02-05CH11231 [J. K. G.]; by start-up funds from the Bayer School of Natural and Environmental Sciences and Duquesne University [M. V. S.]; and by the Netherlands Organisation for Scientific Research (NWO) under vici-grant no. 724.011.002 and the Stichting Physica [J. O.]. NR 42 TC 1 Z9 1 U1 13 U2 13 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 2016 VL 52 IS 86 BP 12761 EP 12764 DI 10.1039/c6cc07205d PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DZ9YV UT WOS:000386240100019 PM 27725983 ER PT J AU Liu, M Jain, A Rong, ZQ Qu, XH Canepa, P Malik, R Ceder, G Persson, KA AF Liu, Miao Jain, Anubhav Rong, Ziqin Qu, Xiaohui Canepa, Pieremanuele Malik, Rahul Ceder, Gerbrand Persson, Kristin A. TI Evaluation of sulfur spinel compounds for multivalent battery cathode applications SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; RECHARGEABLE BATTERIES; LITHIUM INTERCALATION; PHASE-DIAGRAM; ION BATTERIES; METAL-OXIDES; MG BATTERIES; AB-INITIO; MAGNESIUM; 1ST-PRINCIPLES AB The rapid growth of portable consumer electronics and electric vehicles demands new battery technologies with greater energy stored at a reduced cost. Energy storage solutions based on multivalent metals, such as Mg, could significantly increase the energy density as compared to lithium-ion based technology. In this paper, we employ density functional theory calculations to systematically evaluate the performance, such as thermodynamic stability, ion diffusivity and voltage, of a group of 3d transition-metal sulfur-spinel compounds (21 in total) for multivalent cathode applications. Based on our calculations, Cr2S4, Ti2S4 and Mn2S4 spinel compounds exhibit improved Mg2+ mobility (diffusion activation energy <650 meV) relative to their oxide counterparts, however the improved mobility comes at the expense of lower voltage and thereby lower theoretical specific energy. Ca2+ intercalating into Cr2S4 spinel exhibits a low diffusion activation barrier of 500 meV and a voltage of similar to 2 V, revealing a potential cathode for use in Ca rechargeable batteries. C1 [Liu, Miao; Jain, Anubhav; Qu, Xiaohui; Persson, Kristin A.] Lawrence Berkeley Natl Lab, Electrochem Technol Grp, Berkeley, CA 94720 USA. [Rong, Ziqin; Malik, Rahul; Ceder, Gerbrand] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Canepa, Pieremanuele; Ceder, Gerbrand] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ceder, Gerbrand; Persson, Kristin A.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Persson, KA (reprint author), Lawrence Berkeley Natl Lab, Electrochem Technol Grp, Berkeley, CA 94720 USA.; Persson, KA (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM kapersson@lbl.gov RI Canepa, Pieremanuele/O-2344-2013; Liu, Miao/N-9937-2013 OI Canepa, Pieremanuele/0000-0002-5168-9253; Liu, Miao/0000-0002-1843-9519 FU Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub - U.S. Department of Energy, Office of Science, Basic Energy Sciences; BES DOE Grant [EDCBEE]; [DEAC02-05CH11231] FX This work was intellectually led and fully supported by 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. Work at the Lawrence Berkeley National Laboratory was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, under Contract no. DEAC02-05CH11231. We thank Dr Linda Nazar for useful discussions. We also thank the National Energy Research Scientific Computing Center and Argonne Leadership Computing Facility (DOE Office of Science User Facility DE-AC02-05CH11231 and DE-AC02-06CH11357) for providing computing resources. The Materials Project (BES DOE Grant no. EDCBEE) is acknowledged for infrastructure and algorithmic support. NR 46 TC 1 Z9 1 U1 29 U2 29 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 2016 VL 9 IS 10 BP 3201 EP 3209 DI 10.1039/c6ee01731b PG 9 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA EA1EV UT WOS:000386336200024 ER PT J AU Richards, WD Wang, Y Miara, LJ Kim, JC Ceder, G AF Richards, William D. Wang, Yan Miara, Lincoln J. Kim, Jae Chul Ceder, Gerbrand TI Design of Li1+2xZn1-xPS4, a new lithium ion conductor SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID SUPERIONIC CONDUCTOR; VIBRATIONAL ENTROPY; PHASE-TRANSITIONS; CRYSTAL-STRUCTURE; 1ST-PRINCIPLES; BATTERIES; ELECTROLYTES; STABILITY; DYNAMICS; DIAGRAMS AB Recent theoretical work has uncovered that a body-centered-cubic (bcc) anion arrangement leads to high ionic conductivity in a number of fast lithium-ion conducting materials. Using this structural feature as a screening criterion, we find that the I4 material LiZnPS4 contains such a framework and has the potential for very high ionic conductivity. In this work, we apply ab initio computational techniques to investigate in detail the ionic conductivity and defect properties of this material. We find that while the stoichiometric structure has poor ionic conductivity, engineering of its composition to introduce interstitial lithium defects is able to exploit the low migration barrier of the bcc anion framework. Our calculations predict a solid-solution regime extending to x = 0.5 in Li1+2xZn1-xPS4, and yield a new ionic conductor with exceptionally high lithium-ion conductivity, potentially exceeding 50 mS cm(-1) at room temperature. C1 [Richards, William D.; Wang, Yan; Kim, Jae Chul; Ceder, Gerbrand] MIT, Dept Mat Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Miara, Lincoln J.] Samsung Adv Inst Technol USA, 255 Main St,Suite 702, Cambridge, MA 02142 USA. [Kim, Jae Chul; Ceder, Gerbrand] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ceder, Gerbrand] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Ceder, G (reprint author), MIT, Dept Mat Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.; Ceder, G (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Ceder, G (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM gceder@berkeley.edu FU Samsung Advanced Institute of Technology; National Science Foundation [ACI-1053575] FX This work was supported by Samsung Advanced Institute of Technology, and computational resources were provided by the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575. NR 43 TC 3 Z9 3 U1 13 U2 13 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 2016 VL 9 IS 10 BP 3272 EP 3278 DI 10.1039/c6ee02094a PG 7 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA EA1EV UT WOS:000386336200031 ER PT J AU Yu, W France, DM Zhao, W Singh, D Smith, RK AF Yu, W. France, D. M. Zhao, W. Singh, D. Smith, R. K. TI Subcooled Flow Boiling Heat Transfer to Water and Ethylene Glycol/Water Mixtures in a Bottom-heated Tube SO EXPERIMENTAL HEAT TRANSFER LA English DT Article DE ethylene glycol; water mixture; subcooled flow boiling; boiling curve; boiling heat transfer coefficient; one-side heated tube ID SINGLE-SIDE; THERMAL-CONDUCTIVITY; FUSION APPLICATIONS; SWIRL TUBES; FLUX; PREDICTION; MODEL; VISCOSITY; CHANNELS; DENSITY AB Subcooled flow boiling heat transfer experiments were performed with water and ethylene glycol/water mixtures at five flow velocities and four fluid inlet temperatures. Both turbulent flow and laminar flow were tested in a special test facility with its experimental test section heated from the bottom surface only. Boiling curves and subcooled flow boiling heat transfer coefficients of the tested fluids were determined from the experimental measurements. Predictive correlations of the subcooled flow boiling heat transfer coefficients were developed based on the experimental data. Comparisons are presented of wall temperatures between the experimental measurements and the correlation predictions. C1 [Yu, W.; France, D. M.; Zhao, W.; Singh, D.; Smith, R. K.] Argonne Natl Lab, Div Energy Syst, 9700 South Cass Ave, Lemont, IL 60439 USA. RP Yu, W (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 South Cass Ave, Lemont, IL 60439 USA. EM wyu@anl.gov FU Office of Vehicle Technologies Program of the U.S. Department of Energy [DE-AC02-06CH11357] FX This work was sponsored by the Office of Vehicle Technologies Program of the U.S. Department of Energy (under contract number DE-AC02-06CH11357) at Argonne National Laboratory, managed by UChicago Argonne LLC. NR 51 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0891-6152 EI 1521-0480 J9 EXP HEAT TRANSFER JI Exp. Heat Transf. PY 2016 VL 29 IS 5 BP 593 EP 614 DI 10.1080/08916152.2015.1046018 PG 22 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA EA1JQ UT WOS:000386348800002 ER PT J AU Dunstan, MT Maugeri, SA Liu, W Tucker, MG Taiwo, OO Gonzalez, B Allan, PK Gaultois, MW Shearing, PR Keen, DA Phillips, AE Dove, MT Scott, SA Dennis, JS Grey, CP AF Dunstan, Matthew T. Maugeri, Serena A. Liu, Wen Tucker, Matthew G. Taiwo, Oluwadamilola O. Gonzalez, Belen Allan, Phoebe K. Gaultois, Michael W. Shearing, Paul R. Keen, David A. Phillips, Anthony E. Dove, Martin T. Scott, Stuart A. Dennis, John S. Grey, Clare P. TI In situ studies of materials for high temperature CO2 capture and storage SO FARADAY DISCUSSIONS LA English DT Article ID CARBON CAPTURE; TOTAL SCATTERING; SORBENT; MICROSTRUCTURES; CHEMISORPTION; ABSORPTION; CONVERSION; KINETICS; MODELS; CYCLES AB Carbon capture and storage ( CCS) offers a possible solution to curb the CO2 emissions from stationary sources in the coming decades, considering the delays in shifting energy generation to carbon neutral sources such as wind, solar and biomass. The most mature technology for post-combustion capture uses a liquid sorbent, amine scrubbing. However, with the existing technology, a large amount of heat is required for the regeneration of the liquid sorbent, which introduces a substantial energy penalty. The use of alternative sorbents for CO2 capture, such as the CaO-CaCO3 system, has been investigated extensively in recent years. However there are significant problems associated with the use of CaO based sorbents, the most challenging one being the deactivation of the sorbent material. When sorbents such as natural limestone are used, the capture capacity of the solid sorbent can fall by as much as 90 mol% after the first 20 carbonation-regeneration cycles. In this study a variety of techniques were employed to understand better the cause of this deterioration from both a structural and morphological standpoint. X-ray and neutron PDF studies were employed to understand better the local surface and interfacial structures formed upon reaction, finding that after carbonation the surface roughness is decreased for CaO. In situ synchrotron X-ray diffraction studies showed that carbonation with added steam leads to a faster and more complete conversion of CaO than under conditions without steam, as evidenced by the phases seen at different depths within the sample. Finally, in situ X- ray tomography experiments were employed to track the morphological changes in the sorbents during carbonation, observing directly the reduction in porosity and increase in tortuosity of the pore network over multiple calcination reactions. C1 [Dunstan, Matthew T.; Allan, Phoebe K.; Gaultois, Michael W.; Grey, Clare P.] Univ Cambridge, Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England. [Maugeri, Serena A.; Phillips, Anthony E.; Dove, Martin T.] Queen Mary Univ London, Sch Phys & Astron, London E1 4NS, England. [Liu, Wen] Nanyang Technol Univ, Cambridge Ctr Adv Res & Educ Singapore, 1 Create Way, Singapore 138602, Singapore. [Tucker, Matthew G.; Keen, David A.] Rutherford Appleton Lab, ISIS Facil, Harwell Campus, Didcot OX11 0QX, Oxon, England. [Tucker, Matthew G.] Diamond Light Source, Chilton OX11 0DE, Oxon, England. [Tucker, Matthew G.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN USA. [Taiwo, Oluwadamilola O.; Shearing, Paul R.] UCL, Dept Chem Engn, London WC1E 7JE, England. [Gonzalez, Belen; Dennis, John S.] Univ Cambridge, Dept Chem Engn & Biotechnol, Pembroke St, Cambridge CB2 3RA, England. [Scott, Stuart A.] Univ Cambridge, Dept Engn, Trumpington St, Cambridge CB2 1PZ, England. RP Grey, CP (reprint author), Univ Cambridge, Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England. EM cpg27@cam.ac.uk FU Cambridge Commonwealth Trusts; Trinity College, Cambridge; EPSRC [EP/K030132/1]; NRF, Singapore under CREATE programme; Science Facilities and Technologies Council; Diamond Light Source; Paul Scherrer Institut; European Union [659764] FX M. T. Dunstan acknowledges funding from the Cambridge Commonwealth Trusts and Trinity College, Cambridge. M. T. Dunstan, S. A. Scott, J. S. Dennis and C. P. Grey acknowledge funding from EPSRC Grant No. EP/K030132/1. W. Liu acknowledges funding from NRF, Singapore under its CREATE programme. The authors would like to thank the Science Facilities and Technologies Council, Diamond Light Source and Paul Scherrer Institut for the award of beamtime. The authors would especially like to thank Dr Julie Fife and Dr David Haberthur at TOMCAT, Dr Tristan Youngs and Dr Daniel Bowron at NIMROD, and Dr Philip Chater at I15 for their assistance in collecting and processing the data, and Simon Griggs for assistance with SEM. M. W. Gaultois is grateful for support from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 659764. NR 36 TC 0 Z9 0 U1 7 U2 7 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 2016 VL 192 BP 217 EP 240 DI 10.1039/c6fd00047a PG 24 WC Chemistry, Physical SC Chemistry GA EA0XB UT WOS:000386310900012 PM 27472014 ER PT J AU Stolaroff, JK Ye, CW Oakdale, JS Baker, SE Smith, WL Nguyen, DT Spadaccini, CM Aines, RD AF Stolaroff, Joshuah K. Ye, Congwang Oakdale, James S. Baker, Sarah E. Smith, William L. Nguyen, Du T. Spadaccini, Christopher M. Aines, Roger D. TI Microencapsulation of advanced solvents for carbon capture SO FARADAY DISCUSSIONS LA English DT Article ID ORGANIC HYBRID MATERIALS; CO2 CAPTURE; SHELL MICROCAPSULES; POLYMER; MICROPARTICLES; SEPARATION; MEMBRANES; CAPSULES; DIOXIDE; LIQUIDS AB Purpose-designed, water-lean solvents have been developed to improve the energy efficiency of CO2 capture from power plants, including CO2-binding organic liquids ( CO(2)BOLs) and ionic liquids ( ILs). Many of these solvents are highly viscous or change phases, posing challenges for conventional process equipment. Such problems can be overcome by encapsulation. Micro-Encapsulated CO2 Sorbents ( MECS) consist of a CO2-absorbing solvent or slurry encased in spherical, CO2-permeable polymer shells. The resulting capsules have diameters in the range of 100-600 mm, greatly increasing the surface area and CO2 absorption rate of the encapsulated solvent. Encapsulating these new solvents requires careful selection of shell materials and fabrication techniques. We find several common classes of polymers are not compatible with MECS production, but we develop two custom formulations, a silicone and an acrylate, that show promise for encapsulating water-lean solvents. We make the first demonstration of an encapsulated IL for CO2 capture. The rate of CO2 absorption is enhanced by a factor of 3.5 compared to a liquid film, a value that can be improved by further development of shell materials and fabrication techniques. C1 [Stolaroff, Joshuah K.; Ye, Congwang; Oakdale, James S.; Baker, Sarah E.; Smith, William L.; Nguyen, Du T.; Spadaccini, Christopher M.; Aines, Roger D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Stolaroff, JK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM stolaroff1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; National Energy Technology Laboratory [DE-FE0026465, FEW0194] 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 gratefully acknowledge funding support provided by the National Energy Technology Laboratory under grants DE-FE0026465 and FEW0194. NR 23 TC 1 Z9 1 U1 10 U2 10 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 2016 VL 192 BP 271 EP 281 DI 10.1039/c6fd00049e PG 11 WC Chemistry, Physical SC Chemistry GA EA0XB UT WOS:000386310900015 PM 27504736 ER PT J AU Morin, G Mangeret, A Othmane, G Stetten, L Seder-Colomina, M Brest, J Ona-Nguema, G Bassot, S Courbet, C Guillevic, J Thouvenot, A Mathon, O Proux, O Bargar, JR AF Morin, G. Mangeret, A. Othmane, G. Stetten, L. Seder-Colomina, M. Brest, J. Ona-Nguema, G. Bassot, S. Courbet, C. Guillevic, J. Thouvenot, A. Mathon, O. Proux, O. Bargar, J. R. TI Mononuclear U(IV) complexes and ningyoite as major uranium species in lake sediments SO GEOCHEMICAL PERSPECTIVES LETTERS LA English DT Article ID IN-SITU BIOSTIMULATION; U(VI) REDUCTION; URANINITE; PHOSPHATE; PRODUCTS; SPECIATION; AQUIFER; BIOREMEDIATION; IMMOBILIZATION; BIOREDUCTION AB Natural attenuation of uranium in subsurface environments is usually assigned to immobilisation processes due to microbially mediated reduction of U(VI). Recent laboratory studies have established that the end products of such a process include both low solubility biogenic uraninite and more labile non-crystalline U(IV) species. Indeed, biogenic uraninite formation may be inhibited in the presence of organic or inorganic phosphoryl ligands, leading to the formation of non-crystalline U(IV)-phosphate complexes or nanoscale U(IV)-phosphate solids. Such species have been observed in shallow contaminated alluvial aquifers and can thus be suspected to form in other important environments, among which lacustrine sediments have a global environmental significance since they may represent major uranium accumulation reservoirs in riverine watersheds. Here, on the basis of microscopic, spectroscopic and chemical extraction analyses, we report the occurrence of mononuclear U(IV)-phosphate/silicate complexes, accompanied by nano-crystalline ningyoite-like U(IV)phosphate minerals, as major scavengers for uranium in lacustrine sediments downstream from a former uranium mine in France. This observation reveals that uranium trapping mechanisms during early diagenesis of lacustrine sediments can virtually exclude uraninite formation, which has important implications for better modelling uranium cycling in natural and contaminated freshwaters. Moreover, our results raise issues concerning the long term fate of mononuclear U(IV) complexes and U(IV) phosphate nano-minerals, especially with respect to re-oxidation events. C1 [Morin, G.; Othmane, G.; Stetten, L.; Seder-Colomina, M.; Brest, J.; Ona-Nguema, G.] UMR 7590 CNRS UPMC IRD MNHN, IMPMC, Case 115,4 Pl Jussieu, F-75252 Paris 5, France. [Mangeret, A.; Stetten, L.; Seder-Colomina, M.; Bassot, S.; Courbet, C.; Guillevic, J.] PRP DGE, IRSN, 31 Ave Div Leclerc, F-92262 Fontenay Aux Roses, France. [Thouvenot, A.] Univ Clermont Ferrand, Athos Environm, F-63171 Aubiere, France. [Mathon, O.] ESRF, BP 220, F-38043 Grenoble, France. [Proux, O.] Univ Grenoble Alpes, UMR CNRS 832, OSUG, F-38041 Grenoble 9, France. [Proux, O.] Polygone Sci Louis Neel, ESRF, CRG FAME BM30B, 71 Ave Martyrs, F-38000 Grenoble, France. [Bargar, J. R.] SLAC Natl Accelerator Natl Lab, SSRL, MS 69,2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. RP Morin, G (reprint author), UMR 7590 CNRS UPMC IRD MNHN, IMPMC, Case 115,4 Pl Jussieu, F-75252 Paris 5, France. EM guillaume.morin@impmc.upmc.fr NR 30 TC 2 Z9 2 U1 3 U2 3 PU EUROPEAN ASSOC GEOCHEMISTRY PI PARIS CEDEX 05 PA IPGP-GOPEL-BUREAU 566, 1 RUE JUSSIEU, PARIS CEDEX 05, 75238, FRANCE SN 2410-339X EI 2410-3403 J9 GEOCHEM PERSPECT LET JI Geochem. Perspect. Lett. PY 2016 VL 2 IS 1 BP 95 EP 104 DI 10.7185/geochemlet.1610 PG 6 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA EA1JL UT WOS:000386348300010 ER PT J AU van Hinsberg, VJ Berlo, K Migdisov, AA Williams-Jones, AE AF van Hinsberg, V. J. Berlo, K. Migdisov, A. A. Williams-Jones, A. E. TI CO2-fluxing collapses metal mobility in magmatic vapour SO GEOCHEMICAL PERSPECTIVES LETTERS LA English DT Article ID HYDROTHERMAL ORE-DEPOSITS; PREDICTIVE MODEL; AQUEOUS VAPOR; TRANSPORT; SYSTEMS; SOLUBILITY; PORPHYRY; VOLCANO; BASALT; FLUIDS AB Magmatic systems host many types of ore deposits, including world-class deposits of copper and gold. Magmas are commonly an important source of metals and ore-forming fluids in these systems. In many magmatic-hydrothermal systems, low-density aqueous fluids, or vapours, are significant metal carriers. Such vapours are water-dominated shallowly, but fluxing of CO2-rich vapour exsolved from deeper magma is now recognised as ubiquitous during open-system magma degassing. Here, we show that such CO2-fluxing leads to a sharp drop in element solubility, up to a factor of 10,000 for Cu, and thereby provides a highly efficient, but as yet unrecognised mechanism for metal deposition. C1 [van Hinsberg, V. J.; Berlo, K.; Williams-Jones, A. E.] McGill Univ, Earth & Planetary Sci, Montreal, PQ H3A 0E8, Canada. [Migdisov, A. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP van Hinsberg, VJ (reprint author), McGill Univ, Earth & Planetary Sci, Montreal, PQ H3A 0E8, Canada. EM V.J.vanHinsberg@gmx.net OI Migdisov, Artaches/0000-0001-7734-2082 NR 24 TC 0 Z9 0 U1 1 U2 1 PU EUROPEAN ASSOC GEOCHEMISTRY PI PARIS CEDEX 05 PA IPGP-GOPEL-BUREAU 566, 1 RUE JUSSIEU, PARIS CEDEX 05, 75238, FRANCE SN 2410-339X EI 2410-3403 J9 GEOCHEM PERSPECT LET JI Geochem. Perspect. Lett. PY 2016 VL 2 IS 2 BP 169 EP 177 DI 10.7185/geochemlet.1617 PG 5 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA EA1JE UT WOS:000386347500007 ER PT J AU Bova, T Tran, CD Balakshin, MY Chen, J Capanema, EA Naskar, AK AF Bova, Tony Tran, Chau D. Balakshin, Mikhail Y. Chen, Jihua Capanema, Ewellyn A. Naskar, Amit K. TI An approach towards tailoring interfacial structures and properties of multiphase renewable thermoplastics from lignin-nitrile rubber SO GREEN CHEMISTRY LA English DT Article ID KRAFT LIGNIN; POLYMER BLENDS; COMPATIBILIZATION; COMPOSITES; ELASTICITY; ELASTOMERS; RESOURCES; CHEMISTRY AB Lignin-derived thermoplastics and elastomers with both versatile performance and commercialization potential have been an elusive pursuit for the past several decades. Lignin content has been limited to about 30 wt%, often requiring chemical modification, solvent fractionation of lignin, or prohibitively expensive additives. Each of these factors is a deterrent to industrial adoption of lignin-based polymers, limiting the potential of this renewable resource. Herein we describe high-performance multiphase thermoplastics made with a blend of 41 wt% unmodified industrial lignin and low-cost additives in a matrix of general-purpose acrylonitrile-butadiene rubber (NBR). Hardwood soda lignin (HSL) and softwood Kraft lignin (SKL) were blended under high shear conditions with NBR, carbon black (CB), polyethylene oxide (PEO), boric acid (BA), and dicumyl peroxide (DCP). This combination with SKL lignin in the proper proportions resulted in a thermoplastic with a tensile strength and failure strain of 25.2 MPa and 9%, respectively; it exhibited an unexpected tensile yield, similar to that of ABS, a commodity thermoplastic. The analogous HSL lignin compositions are tough materials with tensile strengths of 7.3-16.7 MPa and failure strain of 80-140%. The contrasting ductility and yield stress behavior were analyzed based on the compositions' morphology and interfacial structure arising from the chemical nature of each lignin studied. The roles of CB as a reinforcement in the rubbery phase, DCP and BA as cross-linkers to create multiphase networks, and PEO to promote the adhesion and compatibility of lignin in commercial-grade NBR are also discussed in detail. C1 [Bova, Tony; Tran, Chau D.; Naskar, Amit K.] Oak Ridge Natl Lab, Carbon & Composites Grp, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Bova, Tony; Naskar, Amit K.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. [Balakshin, Mikhail Y.; Capanema, Ewellyn A.] North Carolina State Univ, Dept Forest Biomat, Raleigh, NC USA. [Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Naskar, AK (reprint author), Oak Ridge Natl Lab, Carbon & Composites Grp, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.; Naskar, AK (reprint author), Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. EM naskarak@ornl.gov FU Technology Innovation Program of Oak Ridge National Laboratory; TN-SCORE, an NSF EPSCoR program [NSF EPS 1004083]; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-AC05-00OR22725] FX Research was sponsored by the Technology Innovation Program of Oak Ridge National Laboratory, managed by UT Battelle, LLC, for the U.S. Department of Energy. A. K. N. acknowledges support for melt-processing and characterization of as-received lignin by both Advanced Manufacturing Office and BioEnergy Technologies Office of the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. TEM (J. C. and C. D. T.) experiments were conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. NMR experiments were completed at North Carolina State University by Dr H. Gracz. SEC experiments were completed at the University of Akron Applied Polymer Research Center by Dr C. Ohlemacher. T. B. would like to acknowledge TN-SCORE, an NSF EPSCoR program (NSF EPS 1004083), from whom he has received an Energy Scholars Fellowship to support his coursework, research, and travel. The authors would like to thank Mr M. Melton and Mr J. Perkins for their assistance with early exploratory work. NR 36 TC 0 Z9 0 U1 11 U2 11 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 2016 VL 18 IS 20 BP 5423 EP 5437 DI 10.1039/c6gc01067a PG 15 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA DZ9QP UT WOS:000386213800004 ER PT J AU Lin, L Cheng, YB Pu, YQ Sun, S Li, X Jin, MJ Pierson, EA Gross, DC Dale, BE Dai, SY Ragauskas, AJ Yuan, JS AF Lin, Lu Cheng, Yanbing Pu, Yunqiao Sun, Su Li, Xiao Jin, Mingjie Pierson, Elizabeth A. Gross, Dennis C. Dale, Bruce E. Dai, Susie Y. Ragauskas, Arthur J. Yuan, Joshua S. TI Systems biology-guided biodesign of consolidated lignin conversion SO GREEN CHEMISTRY LA English DT Article ID DYE-DECOLORIZING PEROXIDASE; PSEUDOMONAS-PUTIDA KT2440; POLYHYDROXYALKANOATE PHA; CATABOLIC PATHWAYS; ESCHERICHIA-COLI; GENE-EXPRESSION; BIOSYNTHESIS; BACTERIA; DEGRADATION; PROTEOMICS AB Lignin is the second most abundant biopolymer on the earth, yet its utilization for fungible products is complicated by its recalcitrant nature and remains a major challenge for sustainable lignocellulosic biorefineries. In this study, we used a systems biology approach to reveal the carbon utilization pattern and lignin degradation mechanisms in a unique lignin-utilizing Pseudomonas putida strain (A514). The mechanistic study further guided the design of three functional modules to enable a consolidated lignin bioconversion route. First, P. putida A514 mobilized a dye peroxidase-based enzymatic system for lignin depolymerization. This system could be enhanced by overexpressing a secreted multifunctional dye peroxidase to promote a two-fold enhancement of cell growth on insoluble kraft lignin. Second, A514 employed a variety of peripheral and central catabolism pathways to metabolize aromatic compounds, which can be optimized by overexpressing key enzymes. Third, the beta-oxidation of fatty acid was up-regulated, whereas fatty acid synthesis was down-regulated when A514 was grown on lignin and vanillic acid. Therefore, the functional module for polyhydroxyalkanoate (PHA) production was designed to rechannel beta-oxidation products. As a result, PHA content reached 73% per cell dry weight (CDW). Further integrating the three functional modules enhanced the production of PHA from kraft lignin and biorefinery waste. Thus, this study elucidated lignin conversion mechanisms in bacteria with potential industrial implications and laid out the concept for engineering a consolidated lignin conversion route. C1 [Lin, Lu; Cheng, Yanbing; Sun, Su; Li, Xiao; Dai, Susie Y.; Yuan, Joshua S.] Texas A&M Univ, Synthet & Syst Biol Innovat Hub SSBiH, College Stn, TX 77843 USA. [Lin, Lu] Zhejiang Univ, Coll Ocean Sci, Hangzhou, Zhejiang, Peoples R China. [Lin, Lu; Cheng, Yanbing; Li, Xiao; Gross, Dennis C.; Yuan, Joshua S.] Texas A&M Univ, Dept Plant Pathol & Microbiol, College Stn, TX 77843 USA. [Lin, Lu; Cheng, Yanbing; Sun, Su; Li, Xiao; Yuan, Joshua S.] Texas A&M Univ, Inst Plant Genom & Biotechnol, College Stn, TX 77843 USA. [Pu, Yunqiao; Ragauskas, Arthur J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Sun, Su; Dai, Susie Y.] Texas A&M Univ, Dept Vet Pathobiol, College Stn, TX 77843 USA. [Jin, Mingjie; Dale, Bruce E.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Pierson, Elizabeth A.] Texas A&M Univ, Dept Hort Sci, College Stn, TX 77843 USA. [Dai, Susie Y.] Texas A&M Univ, Off Texas State Chem, College Stn, TX 77843 USA. [Ragauskas, Arthur J.] Univ Tennessee, Dept Chem & Biomol Engn, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA. RP Yuan, JS (reprint author), Texas A&M Univ, Synthet & Syst Biol Innovat Hub SSBiH, College Stn, TX 77843 USA.; Yuan, JS (reprint author), Texas A&M Univ, Dept Plant Pathol & Microbiol, College Stn, TX 77843 USA.; Yuan, JS (reprint author), Texas A&M Univ, Inst Plant Genom & Biotechnol, College Stn, TX 77843 USA. EM syuan@tamu.edu OI Jin, Mingjie/0000-0002-9493-305X FU EERE [DE-EE0006112, DE-EE0007104]; Texas A&M Agrilife Research Biofuels Initiative; central universities of China [2015QNA4044] FX This research is supported by EERE funding (DE-EE0006112 and DE-EE0007104) to JSY, AJR, and SYD, Texas A&M Agrilife Research Biofuels Initiative funding to JSY, EAP, DG, and SYD, and fundamental research funds for the central universities (2015QNA4044) of China. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 53 TC 0 Z9 0 U1 8 U2 8 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 2016 VL 18 IS 20 BP 5536 EP 5547 DI 10.1039/c6gc01131d PG 12 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA DZ9QP UT WOS:000386213800016 ER PT J AU Murugappan, K Mukarakate, C Budhi, S Shetty, M Nimlos, MR Roman-Leshkov, Y AF Murugappan, Karthick Mukarakate, Calvin Budhi, Sridhar Shetty, Manish Nimlos, Mark R. Roman-Leshkov, Yuriy TI Supported molybdenum oxides as effective catalysts for the catalytic fast pyrolysis of lignocellulosic biomass SO GREEN CHEMISTRY LA English DT Article ID FLUIDIZED-BED REACTOR; BIO-OIL PRODUCTION; CARBIDE CATALYSTS; MODEL COMPOUNDS; IN-SITU; HYDRODEOXYGENATION; DEACTIVATION; HYDROCARBONS; FEEDSTOCKS; STABILITY AB The catalytic fast pyrolysis (CFP) of pine was investigated over 10 wt% MoO3/TiO2 and MoO3/ZrO2 at 500 degrees C and H-2 pressures <= 0.75 bar. The product distributions were monitored in real time using a molecular beam mass spectrometer (MBMS). Both supported MoO3 catalysts show different levels of deoxygenation based on the cumulative biomass to MoO3 mass ratio exposed to the catalytic bed. For biomass to MoO3 mass ratios <1.5, predominantly olefinic and aromatic hydrocarbons are produced with no detectable oxygen-containing species. For ratios >= 1.5, partially deoxygenated species comprised of furans and phenols are observed, with a concomitant decrease of olefinic and aromatic hydrocarbons. For ratios >= 5, primary pyrolysis vapours break through the bed, indicating the onset of catalyst deactivation. Product quantification with a tandem micropyrolyzer-GCMS setup shows that fresh supported MoO3 catalysts convert ca. 27 mol% of the original carbon into hydrocarbons comprised predominantly of aromatics (7 C%), olefins (18 C%) and paraffins (2 C%), comparable to the total hydrocarbon yield obtained with HZSM-5 operated under similar reaction conditions. Post-reaction XPS analysis on supported MoO3/ZrO2 and MoO3/TiO2 catalysts reveal that ca. 50% of Mo surface species exist in their partially reduced forms (i.e., Mo5+ and Mo3+), and that catalyst deactivation is likely associated to coking. C1 [Murugappan, Karthick; Shetty, Manish; Roman-Leshkov, Yuriy] MIT, Dept Chem Engn, Cambridge, MA 02139 USA. [Mukarakate, Calvin; Budhi, Sridhar; Nimlos, Mark R.] Natl Renewable Energy Lab, 15523 Denver West Pkwy, Golden, CO 80401 USA. RP Roman-Leshkov, Y (reprint author), MIT, Dept Chem Engn, Cambridge, MA 02139 USA.; Nimlos, MR (reprint author), Natl Renewable Energy Lab, 15523 Denver West Pkwy, Golden, CO 80401 USA. EM Mark.Nimlos@nrel.gov; yroman@mit.edu RI Budhi, Sridhar/B-2157-2017; OI Budhi, Sridhar/0000-0003-2514-5161; Shetty, Manish/0000-0002-8611-7415 FU BP through the MIT Energy Initiative Advanced Conversion Research Program; National Science Foundation [1454299]; U.S. Department of Energy's Bioenergy Technologies Office (DOE-BETO) [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX This research was funded by BP through the MIT Energy Initiative Advanced Conversion Research Program and the National Science Foundation (award number 1454299). Support for Budhi, Mukarakate and Nimlos was provided by the U.S. Department of Energy's Bioenergy Technologies Office (DOE-BETO) under contract no. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. Calvin Mukarakate, Sridhar Budhi, and Mark Nimlos would like to thank Josiah McMillen and Kristina Iisa for their help with some of the CFP experiments. NR 44 TC 4 Z9 4 U1 6 U2 6 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 2016 VL 18 IS 20 BP 5548 EP 5557 DI 10.1039/c6gc01189f PG 10 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA DZ9QP UT WOS:000386213800017 ER PT J AU Zhao, WW Simmons, B Singh, S Ragauskas, A Cheng, G AF Zhao, Wenwen Simmons, Blake Singh, Seema Ragauskas, Arthur Cheng, Gang TI From lignin association to nano-/micro-particle preparation: extracting higher value of lignin SO GREEN CHEMISTRY LA English DT Article ID SIZE-EXCLUSION CHROMATOGRAPHY; RIGID POLYURETHANE FOAMS; X-RAY-SCATTERING; KRAFT LIGNIN; MECHANICAL-PROPERTIES; FUNCTIONAL MATERIALS; LIGHT-SCATTERING; NANOPARTICLES; DEPOLYMERIZATION; VALORIZATION AB As the most abundant source of renewable aromatic compounds on the planet, lignin is gaining growing interest in replacing petroleum-based chemicals and products. Value-added applications of lignin are also essential for the economic viability of future bio-refineries. It is however an under-utilized natural resource due to its structural heterogeneities. Lignin nanoparticles offer many opportunities for value-added applications of lignin. The solution structures of lignin were proposed as one of the key elements in controlling lignin nano-/micro-particle preparation. Fundamental understanding of solution structures of lignin aid in designing and better fabrication of lignin nanoparticles. A deeper understanding of the observed experimental results also points to the need for detailed studies of lignin in solution. This review consists of two major topics, the solution structures of lignin and lignin nano-/micro-particle preparation. Suggestions for future studies regarding these two topics were also put forward. C1 [Zhao, Wenwen; Cheng, Gang] Beijing Univ Chem Technol, Coll Life Sci & Technol, Beijing 100029, Peoples R China. [Simmons, Blake; Singh, Seema] Joint BioEnergy Inst JBEI, Deconstruct Div, Emeryville, CA 94608 USA. [Simmons, Blake] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Singh, Seema] Sandia Natl Labs, Livermore, CA 94551 USA. [Ragauskas, Arthur] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Ragauskas, Arthur] Oak Ridge Natl Lab, Biosci Div, Joint Inst Biol Sci, Oak Ridge, TN 37831 USA. RP Cheng, G (reprint author), Beijing Univ Chem Technol, Coll Life Sci & Technol, Beijing 100029, Peoples R China.; Ragauskas, A (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.; Ragauskas, A (reprint author), Oak Ridge Natl Lab, Biosci Div, Joint Inst Biol Sci, Oak Ridge, TN 37831 USA. EM aragausk@utk.edu; chenggang@mail.buct.edu.cn RI bagheri, amir/C-3274-2017 FU National Natural Science Foundation of China [U1432109]; China Scholarship Council [201606885004]; DOE Joint BioEnergy Institute through the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; UT-Battelle, LLC [DE-AC05-00OR22725]; U. S. Department of Energy FX Gang Cheng acknowledges support for this research from the National Natural Science Foundation of China (U1432109) and the China Scholarship Council (201606885004). Blake Simmons and Seema Singh acknowledge support from the DOE Joint BioEnergy Institute (http://www.jbei.org) through the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between the Lawrence Berkeley National Laboratory and the U. S. Department of Energy. RAGAUSKAS acknowledges support of UT-Battelle, LLC under contract no. DE-AC05-00OR22725 with the U. S. Department of Energy. The publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide 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/doepublic-access-plan). NR 75 TC 2 Z9 2 U1 16 U2 16 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 2016 VL 18 IS 21 BP 5693 EP 5700 DI 10.1039/c6gc01813k PG 8 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA EA2LX UT WOS:000386425000002 ER PT J AU Motagamwala, AH Won, WY Maravelias, CT Dumesic, JA AF Motagamwala, Ali Hussain Won, Wangyun Maravelias, Christos T. Dumesic, James A. TI An engineered solvent system for sugar production from lignocellulosic biomass using biomass derived gamma-valerolactone SO GREEN CHEMISTRY LA English DT Article ID LEVULINIC ACID; CONVERSION; PRETREATMENT; HYDROLYSIS; CATALYSTS; CELLULOSE; ALKANES; FUELS AB gamma-Valerolactone (GVL) is a biomass-derived solvent which completely solubilizes all fractions of lignocellulosic biomass, leading to the recovery of polysaccharides (cellulose and hemicellulose) as soluble carbohydrates at high yields (>70%) without the use of expensive reagents, like enzymes and ionic liquids. Biological upgrading of carbohydrates to biofuels or bio-based chemicals requires that the carbohydrates are separated from GVL. We demonstrate that an engineered solvent system consisting of GVL, water and an organic co-solvent is mono-phasic at the temperatures used for biomass fractionation (e.g., 160 degrees C) and is bi-phasic at lower temperatures (e.g., room temperature). The advantage of using this engineered solvent system is that the carbohydrates are spontaneously separated from organic solvent components into an aqueous hydrolysate stream, thereby avoiding the need for expensive and potentially hazardous separation processes, such as operation at elevated pressures required for separation using liquid CO2. We also show that the organic co-solvent can be selected from an array of organic components, leading to a trade-off between the efficacy of carbohydrate separation and the 'greenness' of the solvent. We show further that toluene is a promising co-solvent component, and techno-economic analyses of the process, wherein toluene is used as a co-solvent, lead to a minimum selling price of ethanol of $3.10 per gallon of gasoline equivalent. C1 [Motagamwala, Ali Hussain; Won, Wangyun; Maravelias, Christos T.; Dumesic, James A.] Univ Wisconsin Madison, Dept Chem & Biol Engn, Madison, WI 53706 USA. [Motagamwala, Ali Hussain; Won, Wangyun; Maravelias, Christos T.; Dumesic, James A.] Univ Wisconsin Madison, DOE Great Lakes Bioenergy Res Ctr, 1552 Univ Ave, Madison, WI 53726 USA. RP Dumesic, JA (reprint author), Univ Wisconsin Madison, Dept Chem & Biol Engn, Madison, WI 53706 USA.; Dumesic, JA (reprint author), Univ Wisconsin Madison, DOE Great Lakes Bioenergy Res Ctr, 1552 Univ Ave, Madison, WI 53726 USA. EM dumesic@engr.wisc.edu RI Maravelias, Christos/B-1376-2009 OI Maravelias, Christos/0000-0002-4929-1748 FU DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494] FX This material is based upon work supported by the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494). The authors acknowledge Trevor Lardinois for help in running hydrolysis reactions. NR 26 TC 0 Z9 0 U1 20 U2 20 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 2016 VL 18 IS 21 BP 5756 EP 5763 DI 10.1039/c6gc02297a PG 8 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA EA2LX UT WOS:000386425000006 ER PT S AU Abdelfattah, A Haidar, A Tomov, S Dongarra, J AF Abdelfattah, Ahmad Haidar, Azzam Tomov, Stanimire Dongarra, Jack BE Kunkel, JM Balaji, P Dongarra, J TI Performance, Design, and Autotuning of Batched GEMM for GPUs SO HIGH PERFORMANCE COMPUTING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 31st International Conference on ISC High Performance CY JUN 19-23, 2016 CL Frankfurt, GERMANY DE GEMM; Batched GEMM; HPC; GPU computing; Autotuning ID FRAMEWORK AB The general matrix-matrix multiplication (GEMM) is the most important numerical kernel in dense linear algebra, and is the key component for obtaining high performance in most LAPACK routines. As batched computations on relatively small problems continue to gain interest in many scientific applications, a need arises for a high performance GEMM kernel for batches of small matrices. Such a kernel should be well designed and tuned to handle small sizes, and to maintain high performance for realistic test cases found in the higher level LAPACK routines, and scientific computing applications in general. This paper presents a high performance batched GEMM kernel on Graphics Processing Units (GPUs). We address batched problems with both fixed and variable sizes, and show that specialized GEMM designs and a comprehensive autotuning process are needed to handle problems of small sizes. For most performance tests reported in this paper, the proposed kernels outperform state-of-the-art approaches using a K40c GPU. C1 [Abdelfattah, Ahmad; Haidar, Azzam; Tomov, Stanimire; Dongarra, Jack] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Dongarra, Jack] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Dongarra, Jack] Univ Manchester, Manchester, Lancs, England. RP Abdelfattah, A (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. EM aahmad2@eecs.utk.edu; haidar@eecs.utk.edu; tomov@eecs.utk.edu; dongarra@eecs.utk.edu NR 22 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER INT PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 0302-9743 BN 978-3-319-41321-1; 978-3-319-41320-4 J9 LECT NOTES COMPUT SC PY 2016 VL 9697 BP 21 EP 38 DI 10.1007/978-3-319-41321-1_2 PG 18 WC Computer Science, Theory & Methods SC Computer Science GA BG0TF UT WOS:000386513900002 ER PT S AU Unat, D Nguyen, T Zhang, WQ Farooqi, MN Bastem, B Michelogiannakis, G Almgren, A Shalf, J AF Unat, Didem Tan Nguyen Zhang, Weiqun Farooqi, Muhammed Nufail Bastem, Burak Michelogiannakis, George Almgren, Ann Shalf, John BE Kunkel, JM Balaji, P Dongarra, J TI TiDA: High-Level Programming Abstractions for Data Locality Management SO HIGH PERFORMANCE COMPUTING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 31st International Conference on ISC High Performance CY JUN 19-23, 2016 CL Frankfurt, GERMANY ID CHALLENGES AB The high energy costs for data movement compared to computation gives paramount importance to data locality management in programs. Managing data locality manually is not a trivial task and also complicates programming. Tiling is a well-known approach that provides both data locality and parallelism in an application. However, there is no standard programming construct to express tiling at the application level. We have developed a multicore programming model, TiDA, based on tiling and implemented the model as C++ and Fortran libraries. The proposed programming model has three high level abstractions, tiles, regions and tile iterator. These abstractions in the library hide the details of data decomposition, cache locality optimizations, and memory affinity management in the application. In this paper we unveil the internals of the library and demonstrate the performance and programability advantages of the model on five applications on multiple NUMA nodes. The library achieves up to 2.10x speedup over OpenMP in a single compute node for simple kernels, and up to 22x improvement over a single thread for a more complex combustion proxy application (SMC) on 24 cores. The MPI+TiDA implementation of geometric multigrid demonstrates a 30.9% performance improvement over MPI+OpenMP when scaling to 3072 cores (excluding MPI communication overheads, 8.5% otherwise). C1 [Unat, Didem; Farooqi, Muhammed Nufail; Bastem, Burak] Koc Univ, Istanbul, Turkey. [Tan Nguyen; Zhang, Weiqun; Michelogiannakis, George; Almgren, Ann; Shalf, John] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Unat, D (reprint author), Koc Univ, Istanbul, Turkey. EM dunat@ku.edu.tr NR 30 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER INT PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 0302-9743 BN 978-3-319-41321-1; 978-3-319-41320-4 J9 LECT NOTES COMPUT SC PY 2016 VL 9697 BP 116 EP 135 DI 10.1007/978-3-319-41321-1_7 PG 20 WC Computer Science, Theory & Methods SC Computer Science GA BG0TF UT WOS:000386513900007 ER PT S AU Balaprakash, P Tiwari, A Wild, SM Carrington, L Hovland, PD AF Balaprakash, Prasanna Tiwari, Ananta Wild, Stefan M. Carrington, Laura Hovland, Paul D. BE Kunkel, JM Balaji, P Dongarra, J TI AutoMOMML: Automatic Multi-objective Modeling with Machine Learning SO HIGH PERFORMANCE COMPUTING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 31st International Conference on ISC High Performance CY JUN 19-23, 2016 CL Frankfurt, GERMANY ID OPTIMIZATION; SEARCH AB In recent years, automatic data-driven modeling with machine learning (ML) has received considerable attention as an alternative to analytical modeling for many modeling tasks. While ad hoc adoption of ML approaches has obtained success, the real potential for automation in data-driven modeling has yet to be achieved. We propose AutoMOMML, an end-to-end, ML-based framework to build predictive models for objectives such as performance, and power. The framework adopts statistical approaches to reduce the modeling complexity and automatically identifies and configures the most suitable learning algorithm to model the required objectives based on hardware and application signatures. The experimental results using hardware counters as application signatures show that the median prediction error of performance, processor power, and DRAM power models are 13 %, 2.3%, and 8%, respectively. C1 [Balaprakash, Prasanna; Wild, Stefan M.; Hovland, Paul D.] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Balaprakash, Prasanna] Argonne Natl Lab, Leadership Comp Facil, 9700 S Cass Ave, Argonne, IL 60439 USA. [Tiwari, Ananta; Carrington, Laura] San Diego Supercomp Ctr, Performance Modeling & Characterizat PMaC Lab, La Jolla, CA USA. RP Balaprakash, P (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.; Balaprakash, P (reprint author), Argonne Natl Lab, Leadership Comp Facil, 9700 S Cass Ave, Argonne, IL 60439 USA. EM pbalapra@mcs.anl.gov; tiwari@sdsc.edu; wild@mcs.anl.gov; lcarring@sdsc.edu; hovland@mcs.anl.gov NR 37 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER INT PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 0302-9743 BN 978-3-319-41321-1; 978-3-319-41320-4 J9 LECT NOTES COMPUT SC PY 2016 VL 9697 BP 219 EP 239 DI 10.1007/978-3-319-41321-1_12 PG 21 WC Computer Science, Theory & Methods SC Computer Science GA BG0TF UT WOS:000386513900012 ER PT S AU Patki, T Bates, N Ghatikar, G Clausen, A Klingert, S Abdulla, G Sheikhalishahi, M AF Patki, Tapasya Bates, Natalie Ghatikar, Girish Clausen, Anders Klingert, Sonja Abdulla, Ghaleb Sheikhalishahi, Mehdi BE Kunkel, JM Balaji, P Dongarra, J TI Supercomputing Centers and Electricity Service Providers: A Geographically Distributed Perspective on Demand Management in Europe and the United States SO HIGH PERFORMANCE COMPUTING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 31st International Conference on ISC High Performance CY JUN 19-23, 2016 CL Frankfurt, GERMANY AB Supercomputing Centers (SCs) have high and variable power demands, which increase the challenges of the Electricity Service Providers (ESPs) with regards to efficient electricity distribution and reliable grid operation. High penetration of renewable energy generation further exacerbates this problem. In order to develop a symbiotic relationship between the SCs and their ESPs and to support effective power management at all levels, it is critical to understand and analyze how the existing relationships were formed and how these are expected to evolve. In this paper, we first present results from a detailed, quantitative survey-based analysis and compare the perspectives of the European grid and SCs to the ones of the United States (US). We then show that contrary to the expectation, SCs in the US are more open toward cooperating and developing demand-management strategies with their ESPs. In order to validate this result and to enable a thorough comparative study, we also conduct a qualitative analysis by interviewing three large-scale, geographically-distributed sites: Oak Ridge National Laboratory (ORNL), Lawrence Livermore National Laboratory (LLNL), and the Leibniz Supercomputing Center (LRZ). We conclude that perspectives on demand management are dependent on the electricity market and pricing in the geographical region and on the degree of control that a particular SC has in terms of power-purchase negotiation. C1 [Patki, Tapasya; Abdulla, Ghaleb] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bates, Natalie] Energy Efficient High Performance Comp Working Gr, Livermore, CA USA. [Ghatikar, Girish] GreenLots, Berkeley, CA USA. [Ghatikar, Girish] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Clausen, Anders] Univ Southern Denmark, Odense, Denmark. [Klingert, Sonja] Univ Mannheim, Mannheim, Germany. [Sheikhalishahi, Mehdi] Create Net, Trento, Italy. RP Patki, T (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM patki1@llnl.gov NR 24 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER INT PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 0302-9743 BN 978-3-319-41321-1; 978-3-319-41320-4 J9 LECT NOTES COMPUT SC PY 2016 VL 9697 BP 243 EP 260 DI 10.1007/978-3-319-41321-1_13 PG 18 WC Computer Science, Theory & Methods SC Computer Science GA BG0TF UT WOS:000386513900013 ER PT S AU Morris, K Rizzi, F Sargsyan, K Dahlgren, K Mycek, P Safta, C Le Maitre, O Knio, O Debusschere, B AF Morris, Karla Rizzi, Francesco Sargsyan, Khachik Dahlgren, Kathryn Mycek, Paul Safta, Cosmin Le Maitre, Olivier Knio, Omar Debusschere, Bert BE Kunkel, JM Balaji, P Dongarra, J TI Scalability of Partial Differential Equations Preconditioner Resilient to Soft and Hard Faults SO HIGH PERFORMANCE COMPUTING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 31st International Conference on ISC High Performance CY JUN 19-23, 2016 CL Frankfurt, GERMANY ID TOLERANCE; RECOVERY AB We present a resilient domain-decomposition preconditioner for partial differential equations (PDEs). The algorithm reformulates the PDE as a sampling problem, followed by a solution update through data manipulation that is resilient to both soft and hard faults. We discuss an implementation based on a server-client model where all state information is held by the servers, while clients are designed solely as computational units. Servers are assumed to be "sandboxed", while no assumption is made on the reliability of the clients. We explore the scalability of the algorithm up to similar to 12k cores, build an SST/macro skeleton to extrapolate to similar to 50k cores, and show the resilience under simulated hard and soft faults for a 2D linear Poisson equation. C1 [Morris, Karla; Rizzi, Francesco; Sargsyan, Khachik; Safta, Cosmin; Debusschere, Bert] Sandia Natl Labs, Livermore, CA 94551 USA. [Mycek, Paul; Knio, Omar] Duke Univ, Durham, NC USA. [Dahlgren, Kathryn] UC Santa Cruz, Santa Cruz, CA USA. [Le Maitre, Olivier] LIMSI CNRS, Orsay, France. RP Morris, K (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM knmorri@sandia.gov; fnrizzi@sandia.gov; ksargsy@sandia.gov; kmdahlgr@ucsc.edu; paul.mycek@sandia.gov; csafta@sandia.gov; olm@limsi.fr; omar.knio@sandia.gov; bjdebus@sandia.gov RI Le Maitre, Olivier/D-8570-2011; OI Le Maitre, Olivier/0000-0002-3811-7787; Mycek, Paul/0000-0002-6919-112X NR 32 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER INT PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 0302-9743 BN 978-3-319-41321-1; 978-3-319-41320-4 J9 LECT NOTES COMPUT SC PY 2016 VL 9697 BP 469 EP 485 DI 10.1007/978-3-319-41321-1_24 PG 17 WC Computer Science, Theory & Methods SC Computer Science GA BG0TF UT WOS:000386513900024 ER PT J AU Frank, S Rebennack, S AF Frank, Stephen Rebennack, Steffen TI An introduction to optimal power flow: Theory, formulation, and examples SO IIE TRANSACTIONS LA English DT Article DE Power flow; optimal power flow; electric power systems analysis; electrical engineering; nonlinear programming; optimization; operations research ID INTERIOR-POINT METHODS; OPTIMAL LOAD FLOW; FACTS-DEVICES; DISTRIBUTION-SYSTEMS; MODEL RELAXATIONS; PART II; SECURITY; CONSTRAINTS; VARIABLES; DISCRETE AB The set of optimization problems in electric power systems engineering known collectively as Optimal Power Flow (OPF) is one of the most practically important and well-researched subfields of constrained nonlinear optimization. OPF has enjoyed a rich history of research, innovation, and publication since its debut five decades ago. Nevertheless, entry into OPF research is a daunting task for the uninitiatedboth due to the sheer volume of literature and because OPF's ubiquity within the electric power systems community has led authors to assume a great deal of prior knowledge that readers unfamiliar with electric power systems may not possess. This article provides an introduction to OPF from an operations research perspective; it describes a complete and concise basis of knowledge for beginning OPF research. The discussion is tailored for the operations researcher who has experience with nonlinear optimization but little knowledge of electrical engineering. Topics covered include power systems modeling, the power flow equations, typical OPF formulations, and common OPF extensions. C1 [Frank, Stephen] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Rebennack, Steffen] Colorado Sch Mines, Golden, CO 80401 USA. RP Frank, S (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM stephen.frank@ieee.org FU National Science Foundation Graduate Research Fellowship [DGE-1057607] FX This material is based upon work supported by the National Science Foundation Graduate Research Fellowship under Grant No. DGE-1057607. NR 62 TC 0 Z9 0 U1 4 U2 4 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0740-817X EI 1545-8830 J9 IIE TRANS JI IIE Trans. PY 2016 VL 48 IS 12 BP 1172 EP 1197 DI 10.1080/0740817X.2016.1189626 PG 26 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA DZ7MD UT WOS:000386049100008 ER PT J AU Sabau, AS AF Sabau, Adrian S. TI Modeling of interdendritic porosity defects in an integrated computational materials engineering approach for metal casting SO INTERNATIONAL JOURNAL OF CAST METALS RESEARCH LA English DT Article DE Microporosity; Simulation; Modelling; Nucleation; Interdendritic porosity; Hot tearing ID EQUIAXED DENDRITIC GROWTH; SOLUTE DIFFUSION-MODEL; GRAIN STRUCTURES; SOLIDIFICATION; ALLOY; PREDICTION; MICROPOROSITY AB Modelling and simulation of multiphysical phenomena need to be considered in the design and optimisation of mechanical properties of cast components in order to accelerate the introduction of new cast alloys. The data on casting defects, including microstructure features, are crucial for evaluating the final performance-related properties of the component. In this paper, the required models for the prediction of interdendritic casting defects, such as microporosity and hot tears, are reviewed. The data on calculated solidification shrinkage are presented and its effects on microporosity levels discussed. Numerical simulation results for microporosity are presented for A356, 356 and 319 aluminium alloys using ProCAST software. The calculated pressure drop of the interdendritic liquid was observed to be quite significant and the regions of high-pressure drop can be used as an indicator on the severity of interdendritic microporosity defects. C1 [Sabau, Adrian S.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Sabau, AS (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM sabaua@ornl.gov RI Sabau, Adrian/B-9571-2008 OI Sabau, Adrian/0000-0003-3088-6474 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, as part of the Propulsion Materials Program [DE-AC05-00OR22725]; UT-Battelle, LLC; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program FX This work was performed under a Cooperative Research and Development Agreement (CRADA) with the Nemak Inc., and FCA US LLC for the project 'High Performance Cast Aluminum Alloys for Next Generation Passenger Vehicle Engines'. The author would also like to thank Amit Shyam for reviewing the paper. Research sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, as part of the Propulsion Materials Program under contract DE-AC05-00OR22725 with UT-Battelle, LLC. Part of this research was conducted through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program, which is sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. NR 31 TC 0 Z9 0 U1 3 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1364-0461 EI 1743-1336 J9 INT J CAST METAL RES JI Int. J. Cast. Metals Res. PY 2016 VL 29 IS 5 BP 331 EP 337 DI 10.1080/13640461.2016.1161288 PG 7 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA DZ9OJ UT WOS:000386206200012 ER PT J AU Wu, BB Wang, SY Evans, WJ Deng, DZ Yang, JH Xiao, J AF Wu, Bingbin Wang, Shanyu Evans, Willie J. Deng, Daniel Z. Yang, Jihui Xiao, Jie TI Interfacial behaviours between lithium ion conductors and electrode materials in various battery systems SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Review ID SULFIDE SOLID-ELECTROLYTE; GLASS-CERAMIC ELECTROLYTES; GARNET-TYPE LI7LA3ZR2O12; SECONDARY BATTERIES; ELECTROCHEMICAL PERFORMANCE; RECHARGEABLE BATTERIES; TRANSPORT PROPERTIES; AQUEOUS-ELECTROLYTE; SULFUR BATTERIES; LICOO2 ELECTRODE AB In recent years room temperature Li+ ion conductors have been intensively revisited in an attempt to develop solid state batteries that can be deployed for vehicle electrification. Through careful modification on materials synthesis, promising solid Li+ conductors with competitive ionic conductivity to those of liquid electrolytes have been demonstrated. However, the integration of highly conductive solid electrolytes into the whole system is still very challenging mainly due to the high impedance existing at different interfaces throughout the battery structure. Herein, this work focuses on the overview of the interfacial behaviors between lithium ion (Li-ion) conductors and cathode/anode materials. The origin, evolution and potential solutions to reduce these interfacial impedances are reviewed for various battery systems spanning from Li-ion, lithium sulfur (Li-S), lithium oxygen (Li-O-2) batteries to lithium metal protection. C1 [Wu, Bingbin; Evans, Willie J.; Xiao, Jie] Univ Arkansas, Dept Chem & Biochem, Fayetteville, AR 72701 USA. [Wang, Shanyu; Yang, Jihui] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. [Deng, Daniel Z.] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Xiao, J (reprint author), Univ Arkansas, Dept Chem & Biochem, Fayetteville, AR 72701 USA.; Yang, JH (reprint author), Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. EM jihuiy@uw.edu; jiexiao@uark.edu FU Arkansas Research Alliance; Office of Vice Provost for Research and Economic Development at University of Arkansas; Inamori Foundation; US Department of Energy [DE-EE0001384] FX B. Wu, W. Evans and J. Xiao thank Arkansas Research Alliance and Office of Vice Provost for Research and Economic Development at University of Arkansas for the financial support. S. Wang and J. Yang thank the funding from Inamori Foundation and the US Department of Energy under award number DE-EE0001384. Z. D. Deng thanks the U.S. Department of Energy Wind and Water Power Technologies Office. NR 106 TC 2 Z9 2 U1 83 U2 83 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 2016 VL 4 IS 40 BP 15266 EP 15280 DI 10.1039/c6ta05439k PG 15 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA EA0WZ UT WOS:000386310600001 ER PT J AU Cantillo, NM Goenaga, GA Gao, W Williams, K Neal, CA Ma, S More, KL Zawodzinski, TA AF Cantillo, N. M. Goenaga, G. A. Gao, W. Williams, K. Neal, C. A. Ma, S. More, K. L. Zawodzinski, T. A., Jr. TI Investigation of a microporous iron(III) porphyrin framework derived cathode catalyst in PEM fuel cells SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID OXYGEN REDUCTION REACTION; NONPRECIOUS METAL-CATALYSTS; FE-BASED CATALYSTS; ELECTROCHEMICAL REDUCTION; ELECTROCATALYSTS; POLYMER; ELECTROLYTE; CARBON; IRON; POLYACRYLONITRILE AB In Polymer Electrolyte Membrane Fuel Cells (PEMFCs) the thickness, structure and morphology of the electrode layer play an important role in the cell performance. This effect becomes particularly significant when the cathode catalyst is based on a non-precious metal due to the higher catalyst loadings required to compensate for the lower catalytic activity when compared to Pt based catalysts. In this study, an iron(III) porphyrin framework material was synthesized and pyrolyzed and its catalytic activity towards the oxygen reduction reaction (ORR) was evaluated using rotating disk electrode (RDE) experiments and single cell testing. Single cell performance was evaluated as a function of the electrode catalyst loading (electrode thickness) and oxygen partial pressure. As expected, the ORR kinetic overpotential was the major contributor to the overall voltage loss. However, the mass transport contribution to the voltage loss became more prominent with small increases in the cathode catalyst loading. The observed performance is discussed in the context of structure and morphology of the catalyst layer (CL), analyzed through scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray diffraction (XRD). C1 [Cantillo, N. M.; Goenaga, G. A.; Neal, C. A.; Zawodzinski, T. A., Jr.] Univ Tennessee, Chem & Biomol Engn Dept, Knoxville, TN 37996 USA. [Gao, W.; Williams, K.; Ma, S.] Univ S Florida, Dept Chem, Tampa, FL USA. [More, K. L.; Zawodzinski, T. A., Jr.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Cantillo, NM; Zawodzinski, TA (reprint author), Univ Tennessee, Chem & Biomol Engn Dept, Knoxville, TN 37996 USA.; Zawodzinski, TA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM ncantill@vols.utk.edu RI Ma, Shengqian/B-4022-2012; Cantillo, Nelly/B-4672-2016 OI Ma, Shengqian/0000-0002-1897-7069; Cantillo, Nelly/0000-0002-9616-4135 FU Fulbright Fellowship; NSF [EPS-1004083]; US. Department of Energy Fuel Cell Technology program [DE-EE0000459]; National Science Foundation [DMR-1352065] FX Nelly M. Cantillo gratefully acknowledges the support from a Fulbright Fellowship. We gratefully acknowledge the support of this work by the NSF-funded TN-SCORE program, NSF EPS-1004083, under Thrust 2; funding from the US. Department of Energy Fuel Cell Technology program Grant # DE-EE0000459. Financial support from the National Science Foundation under Grant DMR-1352065 is also acknowledged (SM). NR 46 TC 0 Z9 0 U1 19 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 2016 VL 4 IS 40 BP 15621 EP 15630 DI 10.1039/c6ta03059a PG 10 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA EA0WZ UT WOS:000386310600041 ER PT J AU Dong, MD Liu, L Zhang, S AF Dong, Mingdong Liu, Lei Zhang, Shuai TI Nanostructural Biomaterials and Applications SO JOURNAL OF NANOMATERIALS LA English DT Editorial Material C1 [Dong, Mingdong] Aarhus Univ, Interdisciplinary Nanosci Ctr iNANO, DK-8000 Aarhus, Denmark. [Liu, Lei] Jiangsu Univ, Inst Adv Mat, Zhenjiang 212013, Peoples R China. [Zhang, Shuai] Pacific Northwest Natl Lab, Phys Sci Div, Richland, WA 99352 USA. RP Dong, MD (reprint author), Aarhus Univ, Interdisciplinary Nanosci Ctr iNANO, DK-8000 Aarhus, Denmark. EM dong@inano.au.dk RI Dong, Mingdong/B-3341-2010 OI Dong, Mingdong/0000-0002-2025-2171 NR 0 TC 0 Z9 0 U1 1 U2 1 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 315 MADISON AVE 3RD FLR, STE 3070, NEW YORK, NY 10017 USA SN 1687-4110 EI 1687-4129 J9 J NANOMATER JI J. Nanomater. PY 2016 AR 5903201 DI 10.1155/2016/5903201 PG 2 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA EA0EV UT WOS:000386259500001 ER PT J AU Calfee, MW Tufts, J Meyer, K McConkey, K Mickelsen, L Rose, L Dowell, C Delaney, L Weber, A Morse, S Chaitram, J Gray, M AF Calfee, M. Worth Tufts, Jenia Meyer, Kathryn McConkey, Katrina Mickelsen, Leroy Rose, Laura Dowell, Chad Delaney, Lisa Weber, Angela Morse, Stephen Chaitram, Jasmine Gray, Marshall TI Evaluation of standardized sample collection, packaging, and decontamination procedures to assess cross-contamination potential during Bacillus anthracis incident response operations SO JOURNAL OF OCCUPATIONAL AND ENVIRONMENTAL HYGIENE LA English DT Article DE Bacillus anthracis; cross-contamination; decontamination; sampling ID INHALATIONAL ANTHRAX; NONPOROUS SURFACES; UNITED-STATES; SPORES; BIOTERRORISM; EFFICACY; FOMITES; EFFICIENCY; EXPOSURE; RECOVERY AB Sample collection procedures and primary receptacle (sample container and bag) decontamination methods should prevent contaminant transfer between contaminated and non-contaminated surfaces and areas during bio-incident operations. Cross-contamination of personnel, equipment, or sample containers may result in the exfiltration of biological agent from the exclusion (hot) zone and have unintended negative consequences on response resources, activities and outcomes. The current study was designed to: (1) evaluate currently recommended sample collection and packaging procedures to identify procedural steps that may increase the likelihood of spore exfiltration or contaminant transfer; (2) evaluate the efficacy of currently recommended primary receptacle decontamination procedures; and (3) evaluate the efficacy of outer packaging decontamination methods. Wet-and dry-deposited fluorescent tracer powder was used in contaminant transfer tests to qualitatively evaluate the currently-recommended sample collection procedures. Bacillus atrophaeus spores, a surrogate for Bacillus anthracis, were used to evaluate the efficacy of spray-and wipe-based decontamination procedures. Both decontamination procedures were quantitatively evaluated on three types of sample packaging materials (corrugated fiberboard, polystyrene foam, and polyethylene plastic), and two contamination mechanisms (wet or dry inoculums). Contaminant transfer results suggested that size-appropriate gloves should be worn by personnel, templates should not be taped to or removed from surfaces, and primary receptacles should be selected carefully. The decontamination tests indicated that wipe-based decontamination procedures may be more effective than spray-based procedures; efficacy was not influenced by material type but was affected by the inoculation method. Incomplete surface decontamination was observed in all tests with dry inoculums. This study provides a foundation for optimizing current B. anthracis response procedures to minimize contaminant exfiltration. C1 [Calfee, M. Worth; Gray, Marshall] US EPA, Natl Homeland Secur Res Ctr, 109 TW Alexander Dr, Res Triangle Pk, NC 27709 USA. [Tufts, Jenia; Meyer, Kathryn] Oak Ridge Inst Sci & Educ, Res Triangle Pk, NC USA. [McConkey, Katrina] Booz Allen Hamilton, Res Triangle Pk, NC USA. [Mickelsen, Leroy] US EPA, CBRN Consequence Management Advisory Div, Res Triangle Pk, NC 27711 USA. [Rose, Laura] Ctr Dis Control & Prevent, Natl Ctr Emerging & Zoonot Infect Dis, Div Healthcare Qual Promot, Atlanta, GA USA. [Dowell, Chad; Delaney, Lisa; Weber, Angela] NIOSH, Ctr Dis Control & Prevent, Emergency Preparedness & Response Off, Atlanta, GA USA. [Morse, Stephen] Ctr Dis Control & Prevent, Natl Ctr Emerging & Zoonot Infect Dis, Div Foodborne & Waterborne Dis, Atlanta, GA USA. [Chaitram, Jasmine] Ctr Dis Control & Prevent, Natl Ctr Emerging & Zoonot Infect Dis, Div Preparedness & Emerging Infect, Atlanta, GA USA. RP Calfee, MW (reprint author), US EPA, Natl Homeland Secur Res Ctr, 109 TW Alexander Dr, Res Triangle Pk, NC 27709 USA. EM Calfee.worth@epa.gov FU Research Participation Program for the U.S. Environmental Protection Agency, Office of Research and Development FX This research was supported in part by an appointment to the Research Participation Program for the U.S. Environmental Protection Agency, Office of Research and Development, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and EPA. NR 43 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1545-9624 EI 1545-9632 J9 J OCCUP ENVIRON HYG JI J. Occup. Environ. Hyg. PY 2016 VL 13 IS 12 BP 980 EP 992 DI 10.1080/15459624.2016.1200725 PG 13 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA EA1ZE UT WOS:000386390000009 PM 27362274 ER PT J AU Burger, J Gochfeld, M Bunn, A Downs, J Jeitner, C Pittfield, T Salisbury, J AF Burger, Joanna Gochfeld, Michael Bunn, Amoret Downs, Janelle Jeitner, Christian Pittfield, Taryn Salisbury, Jennifer TI Functional remediation components: A conceptual method of evaluating the effects of remediation on risks to ecological receptors SO JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES LA English DT Article ID DEPARTMENT-OF-ENERGY; LANDS; PROTECTION; MANAGEMENT; ATTRIBUTES; SERVICES; WASTE AB Governmental agencies, regulators, health professionals, tribal leaders, and the public are faced with understanding and evaluating the effects of cleanup activities on species, populations, and ecosystems. While engineers and managers understand the processes involved in different remediation types such as capping, pump and treat, and natural attenuation, there is often a disconnect between (1) how ecologists view the influence of different types of remediation, (2) how the public perceives them, and (3) how engineers understand them. The overall goal of the present investigation was to define the components of remediation types (= functional remediation). Objectives were to (1) define and describe functional components of remediation, regardless of the remediation type, (2) provide examples of each functional remediation component, and (3) explore potential effects of functional remediation components in the post-cleanup phase that may involve continued monitoring and assessment. Functional remediation components include types, numbers, and intensity of people, trucks, heavy equipment, pipes, and drill holes, among others. Several components may be involved in each remediation type, and each results in ecological effects, ranging from trampling of plants, to spreading invasive species, to disturbing rare species, and to creating fragmented habitats. In some cases remediation may exert a greater effect on ecological receptors than leaving the limited contamination in place. A goal of this conceptualization is to break down functional components of remediation such that managers, regulators, and the public might assess the effects of timing, extent, and duration of different remediation options on ecological systems. C1 [Burger, Joanna; Jeitner, Christian; Pittfield, Taryn] Rutgers State Univ, Div Life Sci, 604 Allison Rd, Piscataway, NJ 08854 USA. [Gochfeld, Michael; Salisbury, Jennifer] Vanderbilt Univ, CRESP, 221 Kirkland Hall, Nashville, TN 37235 USA. [Burger, Joanna; Gochfeld, Michael; Jeitner, Christian; Pittfield, Taryn] Rutgers State Univ, Environm & Occupat Hlth Sci Inst, Piscataway, NJ USA. [Bunn, Amoret; Downs, Janelle] Pacific Northwest Natl Lab, Richland, WA USA. RP Burger, J (reprint author), Rutgers State Univ, Div Life Sci, 604 Allison Rd, Piscataway, NJ 08854 USA. EM burger@biology.rutgers.edu FU Consortium for Risk Evaluation through the Department of Energy [DE-FC01-95EW55084]; Rutgers University FX The authors acknowledge the help of other members of CRESP and PNNL for valuable discussions about risk, exposure assessments, and ecological evaluations. This research was funded by the Consortium for Risk Evaluation through the Department of Energy (DE-FC01-95EW55084), and Rutgers University. The views and opinions are those of the authors, and not those of the funding organizations. NR 64 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1528-7394 EI 1087-2620 J9 J TOXICOL ENV HEAL A JI J. Toxicol. Env. Health Part A PY 2016 VL 79 IS 21 BP 957 EP 968 DI 10.1080/15287394.2016.1201026 PG 12 WC Environmental Sciences; Public, Environmental & Occupational Health; Toxicology SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Toxicology GA DZ7LP UT WOS:000386047400002 PM 27576057 ER PT J AU Harper, JC Andrews, JM Ben, C Hunt, AC Murton, JK Carson, BD Bachand, GD Lovchik, JA Arndt, WD Finley, MR Edwards, TL AF Harper, Jason C. Andrews, Jenna M. Ben, Candice Hunt, Andrew C. Murton, Jaclyn K. Carson, Bryan D. Bachand, George D. Lovchik, Julie A. Arndt, William D. Finley, Melissa R. Edwards, Thayne L. TI Magnetic-adhesive based valves for microfluidic devices used in low-resource settings SO LAB ON A CHIP LA English DT Article ID ON-A-CHIP; TOTAL ANALYSIS SYSTEMS; GLOBAL HEALTH; BIOCHEMICAL ASSAYS; DEVELOPING-WORLD; DIAGNOSTICS; MEMBRANE; FUTURE; MICROVALVES; INTEGRATION AB Since the introduction of micro total analytical systems (mu TASs), significant advances have been made toward development of lab-on-a-chip platforms capable of performing complex biological assays that can revolutionize public health, among other applications. However, use of these platforms in low-resource environments (e.g. developing countries) has yet to be realized as the majority of technologies used to control microfluidic flow rely on off-device hardware with non-negligible size, cost, power requirements and skill/training to operate. In this paper we describe a magnetic-adhesive based valve that is simple to construct and operate, and can be used to control fluid flow and store reagents within a microfluidic device. The design consists of a port connecting two chambers on different planes in the device that is closed by a neodymium disk magnet seated on a thin ring of adhesive. Bringing an external magnet into contact with the outer surface of the device unseats and displaces the valve magnet from the adhesive ring, exposing the port. Using this configuration, we demonstrate on-device reagent storage and on-demand transport and reaction of contents between chambers. This design requires no power or external instrumentation to operate, is extremely low cost ($0.20 materials cost per valve), can be used by individuals with no technical training, and requires only a hand-held magnet to actuate. Additionally, valve actuation does not compromise the integrity of the completely sealed microfluidic device, increasing safety for the operator when toxic or harmful substances are contained within. This valve concept has the potential to simplify design of mu TASs, facilitating development of lab-on-a-chip systems that may be practical for use in point-of-care and low-resource settings. C1 [Harper, Jason C.; Andrews, Jenna M.; Ben, Candice; Hunt, Andrew C.; Murton, Jaclyn K.; Carson, Bryan D.] Sandia Natl Labs, Bioenergy & Biodef Technol, POB 5800, Albuquerque, NM 87185 USA. [Bachand, George D.] Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. [Lovchik, Julie A.] Univ New Mexico, Hlth Sci Ctr, Dept Internal Med, Ctr Infect Dis & Immun, Albuquerque, NM 87131 USA. [Arndt, William D.; Finley, Melissa R.] Sandia Natl Labs, Int Biol Threat Reduct, POB 5800, Albuquerque, NM 87185 USA. [Edwards, Thayne L.] Qorvo Inc, Bend, OR 97703 USA. RP Harper, JC (reprint author), Sandia Natl Labs, Bioenergy & Biodef Technol, POB 5800, Albuquerque, NM 87185 USA.; Edwards, TL (reprint author), Qorvo Inc, Bend, OR 97703 USA. EM Jason.Harper@sandia.gov; thayne.edwards@qorvo.com FU Sandia Laboratories Directed Research and Development (LDRD) Program; Department of Homeland Security (DHS) Homeland Security related Science, Technology, Engineering, and Mathematics (HS-STEM) Summer Internship Program; U.S. Department of Energy (DOE) Office of Science [U2012A0083]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Funding for this work was provided by the Sandia Laboratories Directed Research and Development (LDRD) Program and the Department of Homeland Security (DHS) Homeland Security related Science, Technology, Engineering, and Mathematics (HS-STEM) Summer Internship Program. 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 U2012A0083, PI: JCH). Sandia National Laboratories is a multi-mission laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 43 TC 1 Z9 1 U1 7 U2 7 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 2016 VL 16 IS 21 BP 4142 EP 4151 DI 10.1039/c6lc00858e PG 10 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA EA0XC UT WOS:000386311100009 PM 27713988 ER PT J AU Wang, LF Wen, JG Sheng, HP Miller, DJ AF Wang, Lifen Wen, Jianguo Sheng, Huaping Miller, Dean J. TI Fractal growth of platinum electrodeposits revealed by in situ electron microscopy SO NANOSCALE LA English DT Article ID DIFFUSION-LIMITED AGGREGATION; ELECTROCHEMICAL DEPOSITION; PATTERN-FORMATION; MORPHOLOGY; CLUSTERS; LIQUID; TRANSITION; INTERFACE; BATTERIES AB Fractals are commonly observed in nature and elucidating the mechanisms of fractal-related growth is a compelling issue for both fundamental science and technology. Here we report an in situ electron microscopy study of dynamic fractal growth of platinum during electrodeposition in a miniaturized electrochemical cell at varying growth conditions. Highly dendritic growth - either dense branching or ramified islands - are formed at the solid-electrolyte interface. We show how the diffusion length of ions in the electrolyte influences morphology selection and how instability induced by initial surface roughness, combined with local enhancement of electric field, gives rise to non-uniform branched deposition as a result of nucleation/growth at preferred locations. Comparing the growth behavior under these different conditions provides new insight into the fundamental mechanisms of platinum nucleation. C1 [Wang, Lifen; Wen, Jianguo; Sheng, Huaping; Miller, Dean J.] Argonne Natl Lab, Ctr Nanoscale Mat, Nanosci & Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Miller, DJ (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Nanosci & Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM miller@anl.gov FU U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Use of the Electron Microscopy Center in the Center for Nanoscale Materials, an Office of Science user facility, 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 8 U2 8 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 2016 VL 8 IS 39 BP 17250 EP 17255 DI 10.1039/c6nr05167g PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DZ7VD UT WOS:000386074900023 PM 27714101 ER PT J AU Zhao, C Qiao, Y AF Zhao, Cang Qiao, Yu TI Characterization of nanoporous structures: from three dimensions to two dimensions SO NANOSCALE LA English DT Article ID IMAGE-ANALYSIS; FRACTAL DIMENSION; PHASE-SEPARATION; HOLLOW SPHERES; PORE FORMATION; NANOSTRUCTURES; MEMBRANES; QUANTIFICATION; FABRICATION; NANOTUBES AB The scanning electron microscope (SEM) has revealed a colorful three-dimensional world due to its great depth of field. However, the abundance of structural information imposes tough challenges to quantitative image analysis. In the current investigation, we developed a SEM-image polishing (SIP) based quantitative SEM-image analysis (QSIA) technique. As an example, QSIA was employed to characterize nanoporous silica. The results confirmed that the nanoporous silica samples, processed via sol-gel methods, were single-parameter, with the pore size being the only variable. The QSIA technique may pave the way to fast and accurate data mining of nanoscaled materials. C1 [Zhao, Cang; Qiao, Yu] Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA. [Zhao, Cang] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Qiao, Yu] Univ Calif San Diego, Program Mat Sci & Engn, La Jolla, CA 92093 USA. RP Zhao, C (reprint author), Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA.; Zhao, C (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM cang.zhao@aps.anl.gov RI Zhao, Cang/A-4633-2017 OI Zhao, Cang/0000-0002-2464-2409 FU Army Research Office [W911NF-12-1-0011] FX This research was supported by The Army Research Office under Grant No. W911NF-12-1-0011, for which the authors are grateful to Dr David M. Stepp. Special thanks are also due to Professor Hyonny Kim, Dr Tao Sun, Dr Francesco De Carlo, Dr Kamel Fezzaa and Dr Haidan Wen for the useful discussions. We thank Professor Brian A. Korgel for sharing the SEM image shown in Fig. S2(a4).dagger NR 49 TC 0 Z9 0 U1 4 U2 4 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 2016 VL 8 IS 40 BP 17658 EP 17664 DI 10.1039/c6nr05862k PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA EA0AA UT WOS:000386244400033 PM 27714154 ER PT S AU Coughlin, M Abbott, TMC Brannon, K Claver, C Doherty, P Fisher-Levinc, M Ingraham, P Lupton, R Mondrik, N Stubbs, C AF Coughlin, Michael Abbott, T. M. C. Brannon, Kairn Claver, Chuck Doherty, Peter Fisher-Levinc, Merlin Ingraham, Patrick Lupton, Robert Mondrik, Nicholas Stubbs, Christopher BE Peck, AB Seaman, RL Benn, CR TI A collimated beam projector for precise telescope calibration SO OBSERVATORY OPERATIONS: STRATEGIES, PROCESSES, AND SYSTEMS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Observatory Operations - Strategies, Processes, and Systems VI CY JUN 27-JUL 01, 2016 CL Edinburgh, SCOTLAND SP SPIE AB The precise determination of the instrumental response function versus wavelength is a central ingredient in contemporary photometric calibration strategies. This typically entails propagating narrowband illumination through the system pupil, and comparing the detected photon rate across the focal plane to the amount of incident light as measured by a calibrated photodiode. However, stray light effects and reflections/ghosting (especially on the edges of filter passbands) in the optical train constitute a major source of systematic uncertainty when using a flat-field screen as the illumination source. A collimated beam projector that projects a mask onto the focal plane of the instrument can distinguish focusing light paths from stray and scattered light, allowing for a precise determination of instrumental throughput. This paper describes the conceptual design of such a system, outlines its merits, and presents results from a prototype system used with the Dark Energy Camera wide field imager on the 4-meter Blanco telescope. A calibration scheme that blends results from flat-field images with collimated beam projector data to obtain the equivalent of an illumination correction at high spectral and angular resolution is also presented. In addition to providing a precise system throughput calibration, by monitoring the evolution of the intensity and behaviour of the ghosts in the optical system, the collimated beam projector can be used to track the evolution of the filter transmission properties and various anti-reflective coatings in the optical system. C1 [Coughlin, Michael; Brannon, Kairn; Doherty, Peter; Mondrik, Nicholas; Stubbs, Christopher] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Abbott, T. M. C.] Natl Opt Astron Observ, Cerro Tololo Interamer Observ, Casilla 603, La Serena, Chile. [Claver, Chuck; Ingraham, Patrick] Large Synopt Survey Telescope, Tucson, AZ 85718 USA. [Fisher-Levinc, Merlin] Brookhaven Natl Lab, Upton, NY 11973 USA. [Fisher-Levinc, Merlin; Lupton, Robert] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Stubbs, Christopher] Harvard Univ, Dept Astron, Cambridge, MA 02138 USA. RP Coughlin, M (reprint author), Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. NR 20 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 978-1-5106-0199-4; 978-1-5106-0200-7 J9 PROC SPIE PY 2016 VL 9910 AR 99100V DI 10.1117/12.2231677 PG 10 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PO UT WOS:000385793600028 ER PT S AU Diehl, HT Neilsen, E Gruendl, R Yanny, B Abbott, TMC Aleksic, J Allam, S Annis, J Balbinot, E Baumer, M Beaufore, L Bechtol, K Bernstein, G Birrer, S Bonnett, C Brout, D Bruderer, C Buckley-Geer, EJ Capozzi, D Rosell, AC Castander, FJ Cawthon, R Chang, C Clerkin, L Covarrubias, R Cuhna, C D'Andrea, C da Costa, L Das, R Davis, C Dietrich, J Drlica-Wagner, A Elliott, A Eifler, TF Etherington, J Flaugher, BL Frieman, J Neto, AF Fernandez, MG Furlanetto, C Gangkofne, D Gerdes, DW Goldstein, DA Grabowski, K Gupta, RR Hamilton, S Head, H Helsby, J Hollowood, D Honscheid, K James, D Johnson, M Johnson, MWG Jouvel, S Kacprzac, T Kent, S Kessler, R Kim, A Krause, E Krawiec, CI Kremin, A Kron, R Kuhlmann, S Kuropatkin, N Lahav, O Lasker, J Li, TS Luque, E Maccrann, N March, M Marshall, J Mondrik, NP Morganson, EP Mudd, D Nadolski, A Nugent, P Melchior, P Menanteau, F Nagasawa, DQ Nord, B Ogando, R Old, L Palmese, A Petravick, D Plazas, AA Pujol, A Queiroz, ABA Reil, K Romer, AK Rosenfeld, R Roodman, A Rooney, P Sako, M Salvador, AI Sanchez, C Alvaro, ES Santiago, BX Schooneveld, A Schubnell, M Sheldon, E Smith, A Smith, RC Soares-Santos, M Sobreira, F Soumagnac, M Spinka, H Tie, SS Tucker, D Vikram, V Vivas, K Walker, AR Wester, W Wiesner, M Wilcox, H Williams, P Zenteno, A Zhang, Y Zhang, Z AF Diehl, H. T. Neilsen, E. Gruendl, R. Yanny, B. Abbott, T. M. C. Aleksic, J. Allam, S. Annis, J. Balbinot, E. Baumer, M. Beaufore, L. Bechtol, K. Bernstein, G. Birrer, S. Bonnett, C. Brout, D. Bruderer, C. Buckley-Geer, E. J. Capozzi, D. Rosell, A. Carnero Castander, F. J. Cawthon, R. Chang, C. Clerkin, L. Covarrubias, R. Cuhna, C. D'Andrea, C. da Costa, L. Das, R. Davis, C. Dietrich, J. Drlica-Wagner, A. Elliott, A. Eifler, T. F. Etherington, J. Flaugher, B. L. Frieman, J. Fausti Neto, A. Fernandez, M. G. Furlanetto, C. Gangkofne, D. Gerdes, D. W. Goldstein, D. A. Grabowski, K. Gupta, R. R. Hamilton, S. Head, H. Helsby, J. Hollowood, D. Honscheid, K. James, D. Johnson, M. Johnson, M. W. G. Jouvel, S. Kacprzac, T. Kent, S. Kessler, R. Kim, A. Krause, E. Krawiec, C. I. Kremin, A. Kron, R. Kuhlmann, S. Kuropatkin, N. Lahav, O. Lasker, J. Li, T. S. Luque, E. Maccrann, N. March, M. Marshall, J. Mondrik, N. P. Morganson, E. P. Mudd, D. Nadolski, A. Nugent, P. Melchior, P. Menanteau, F. Nagasawa, D. Q. Nord, B. Ogando, R. Old, L. Palmese, A. Petravick, D. Plazas, A. A. Pujol, A. Queiroz, A. B. A. Reil, K. Romer, A. K. Rosenfeld, R. Roodman, A. Rooney, P. Sako, M. Salvador, A. I. Sanchez, C. Sanchez Alvaro, E. Santiago, B. X. Schooneveld, A. Schubnell, M. Sheldon, E. Smith, A. Smith, R. C. Soares-Santos, M. Sobreira, F. Soumagnac, M. Spinka, H. Tie, S. S. Tucker, D. Vikram, V. Vivas, K. Walker, A. R. Wester, W. Wiesner, M. Wilcox, H. Williams, P. Zenteno, A. Zhang, Y. Zhang, Z. BE Peck, AB Seaman, RL Benn, CR TI The Dark Energy Survey and Operations: Years 1 to 3 SO OBSERVATORY OPERATIONS: STRATEGIES, PROCESSES, AND SYSTEMS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Observatory Operations - Strategies, Processes, and Systems VI CY JUN 27-JUL 01, 2016 CL Edinburgh, SCOTLAND SP SPIE DE Cosmology; Dark Energy Survey; Dark Energy Camera; Operations; CTIO AB The Dark Energy Survey (DES) is an operating optical survey aimed at understanding the accelerating expansion of the universe using four complementary methods: weak gravitational lensing, galaxy cluster counts, baryon acoustic oscillations, and Type la supernovae. To perform the 5000 sq-degree wide field and 30 sq-degree supernova surveys, the DES Collaboration built the Dark Energy Camera (DECam), a 3 square-degree, 570-Megapixel CCD camera that was installed at the prime focus of the Blanco 4-meter telescope at the Cerro Tololo Inter-American Observatory (CTIO). DES has completed its third observing season out of a nominal five. This paper describes DES "Year 1" (Y1) to "Year 3" (Y3), the strategy, an outline of the survey operations procedures, the efficiency of operations and the causes of lost observing time. It provides details about the quality of the first three season's data, and describes how we are adjusting the survey strategy in the face of the El Niflo Southern Oscillation. C1 [Diehl, H. T.; Neilsen, E.; Yanny, B.; Allam, S.; Annis, J.; Buckley-Geer, E. J.; Drlica-Wagner, A.; Flaugher, B. L.; Frieman, J.; Grabowski, K.; Kent, S.; Kron, R.; Kuropatkin, N.; Nord, B.; Soares-Santos, M.; Sobreira, F.; Tucker, D.; Wester, W.; Wiesner, M.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Gruendl, R.; Covarrubias, R.; Johnson, M.; Johnson, M. W. G.; Morganson, E. P.; Menanteau, F.; Petravick, D.] Natl Ctr Supercomp Applicat, 1205 West Clark St, Urbana, IL 61801 USA. [Gruendl, R.; Morganson, E. P.; Nadolski, A.; Menanteau, F.] Univ Illinois, Dept Astron, W Green St, Urbana, IL 61801 USA. [Abbott, T. M. C.; James, D.; Smith, R. C.; Vivas, K.; Walker, A. R.; Zenteno, A.] Natl Opt Astron Observ, Cerro Tololo Interamer Observ, Casilla 603, La Serena, Chile. [Aleksic, J.; Bonnett, C.; Sanchez, C.] Barcelona Inst Sci & Technol, IFAE, Bellaterra 08193, Barcelona, Spain. [Balbinot, E.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Baumer, M.; Rosell, A. Carnero] Stanford Univ, Dept Phys, 382 Via Pueblo Mall, Stanford, CA 94305 USA. [Beaufore, L.; Elliott, A.; Honscheid, K.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Bechtol, K.; Cawthon, R.; Helsby, J.; Kessler, R.; Krause, E.; Lasker, J.; Williams, P.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Bechtol, K.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Bernstein, G.; Brout, D.; Drlica-Wagner, A.; Eifler, T. F.; Krause, E.; Krawiec, C. I.; March, M.; Sako, M.; Santiago, B. X.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Birrer, S.; Bruderer, C.; Chang, C.] Swiss Fed Inst Technol, Dept Phys, Inst Astron, Wolfgang Pauli Str 27, CH-8093 Zurich, Switzerland. [Capozzi, D.; Rosell, A. Carnero; D'Andrea, C.; Etherington, J.; Wilcox, H.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Castander, F. J.; Fernandez, M. G.; Pujol, A.] IEEC CSIC, ICE, E-08193 Bellaterra, Barcelona, Spain. [Clerkin, L.; Jouvel, S.; Kacprzac, T.; Lahav, O.; Palmese, A.; Soumagnac, M.] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England. [Cuhna, C.; Davis, C.; Reil, K.; Roodman, A.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, 452 Lomita Mall, Stanford, CA 94305 USA. [D'Andrea, C.] Univ Southampton, Dept Phys & Astron, Southampton SO17 1BJ, Hants, England. [da Costa, L.; Fausti Neto, A.; Luque, E.; Ogando, R.; Queiroz, A. B. A.] LIneA, Rua Gal Jose Cristino 77, BR-20921400 Rio De Janeiro, RJ, Brazil. [Das, R.; Gerdes, D. W.; Hamilton, S.; Kremin, A.; Schubnell, M.; Zhang, Y.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Dietrich, J.; Gangkofne, D.] Univ Observ Munich, Scheinerstr 1, D-81679 Munich, Germany. [Dietrich, J.; Gangkofne, D.; Melchior, P.] Excellence Cluster Universe, D-85748 Garching, Germany. [Eifler, T. F.; Plazas, A. A.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Furlanetto, C.; Old, L.] Univ Nottingham, Sch Phys & Astron, Univ Pk, Nottingham NG7 2RD, England. [Goldstein, D. A.; Kim, A.; Nugent, P.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Goldstein, D. A.] Univ Calif Berkeley, Dept Astron, 501 Campbell Hall, Berkeley, CA 94720 USA. [Gupta, R. R.; Kuhlmann, S.; Spinka, H.; Vikram, V.] Argonne Natl Lab, 9700 South Cass Ave, Lemont, IL 60439 USA. [Head, H.; Smith, A.] Austin Peay State Univ, Dept Phys & Astron, Clarksville, TN 37044 USA. [Hollowood, D.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. [Hollowood, D.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Li, T. S.; Marshall, J.; Mondrik, N. P.; Nagasawa, D. Q.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, College Stn, TX 77843 USA. [Li, T. S.; Marshall, J.; Mondrik, N. P.; Nagasawa, D. Q.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Luque, E.; Queiroz, A. B. A.; Santiago, B. X.] Univ Fed Rio Grande do Sul, Inst Fis, Caixa Postal 15051, BR-91501970 Porto Alegre, RS, Brazil. [Maccrann, N.] Univ Manchester, Sch Phys & Astron, Jodrell Bank Ctr Astrophys, Oxford Rd, Manchester M13 9P1, Lancs, England. [Mudd, D.; Tie, S. S.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Melchior, P.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Ogando, R.] Observ Nacl, R Gal Jose Cristino 77, BR-20921400 Rio De Janeiro, RJ, Brazil. [Plazas, A. A.; Sheldon, E.] Brookhaven Natl Lab, Bldg 510, Upton, NY 11973 USA. [Reil, K.; Roodman, A.; Zhang, Z.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Romer, A. K.; Rooney, P.] Univ Sussex, Dept Phys & Astron, Brighton BN1 9RH, E Sussex, England. [Rosenfeld, R.; Sobreira, F.] Univ Estadual Paulista, Inst Fis Teor, Rua Dr Bento T Ferraz 271, BR-01140070 Sao Paulo, SP, Brazil. [Salvador, A. I.] UAM CSIC, Inst Fis Teor, Madrid, Spain. [Salvador, A. I.] CIEMAT, Madrid, Spain. [Schooneveld, A.] Univ Cambridge, Inst Astron, Madingley Rd, Cambridge CB3 0HA, England. RP Diehl, HT (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM Diehl@FNAL.GOV RI Ogando, Ricardo/A-1747-2010; OI Ogando, Ricardo/0000-0003-2120-1154; Stern, Corvin/0000-0003-4406-6127 NR 43 TC 0 Z9 0 U1 4 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 978-1-5106-0199-4; 978-1-5106-0200-7 J9 PROC SPIE PY 2016 VL 9910 AR 99101D DI 10.1117/12.2233157 PG 19 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PO UT WOS:000385793600043 ER PT S AU Haendel, MA Kann, MG Washington, NL AF Haendel, Melissa A. Kann, Maricel G. Washington, Nicole L. BE Altman, RB Dunker, AK Hunter, L Ritchie, MD Murray, T Klein, TE TI INNOVATIVE APPROACHES TO COMBINING GENOTYPE, PHENOTYPE, EPIGENETIC, AND EXPOSURE DATA FOR PRECISION DIAGNOSTICS SO PACIFIC SYMPOSIUM ON BIOCOMPUTING 2016 SE Biocomputing-Pacific Symposium on Biocomputing LA English DT Proceedings Paper CT 21st Pacific Symposium on Biocomputing (PSB) CY JAN 04-08, 2016 CL HI C1 [Haendel, Melissa A.] Oregon Hlth & Sci Univ, Lib & Dept Med Informat & Epidemiol, Portland, OR 97239 USA. [Kann, Maricel G.] Univ Maryland Baltimore Cty, Dept Biol Sci, Baltimore, MD 21250 USA. [Washington, Nicole L.] Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94530 USA. RP Haendel, MA (reprint author), Oregon Hlth & Sci Univ, Lib & Dept Med Informat & Epidemiol, Portland, OR 97239 USA. EM haendel@ohsu.edu; mkann@umbc.edu; nlwashington@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE SN 2335-6936 BN 978-981-4749-40-4; 978-981-4749-41-1 J9 BIOCOMPUT-PAC SYM PY 2016 BP 93 EP 95 PG 3 WC Computer Science, Interdisciplinary Applications; Engineering, Electrical & Electronic; Mathematical & Computational Biology SC Computer Science; Engineering; Mathematical & Computational Biology GA BG0LW UT WOS:000386326200009 ER PT S AU Manda, P Mungall, CJ Balhoff, JP Lapp, H Vision, TJ AF Manda, Prashanti Mungall, Christopher J. Balhoff, James P. Lapp, Hilmar Vision, Todd J. BE Altman, RB Dunker, AK Hunter, L Ritchie, MD Murray, T Klein, TE TI INVESTIGATING THE IMPORTANCE OF ANATOMICAL HOMOLOGY FOR CROSS-SPECIES PHENOTYPE COMPARISONS USING SEMANTIC SIMILARITY SO PACIFIC SYMPOSIUM ON BIOCOMPUTING 2016 SE Biocomputing-Pacific Symposium on Biocomputing LA English DT Proceedings Paper CT 21st Pacific Symposium on Biocomputing (PSB) CY JAN 04-08, 2016 CL HI DE homology; phenotype; semantic similarity; Uberon; EQ annotation AB There is growing use of ontologies for the measurement of cross-species phenotype similarity. Such similarity measurements contribute to diverse applications, such as identifying genetic models for human diseases, transferring knowledge among model organisms, and studying the genetic basis of evolutionary innovations. Two organismal features, whether genes, anatomical parts, or any other inherited feature, are considered to be homologous when they are evolutionarily derived from a single feature in a common ancestor. A classic example is the homology between the paired fins of fishes and vertebrate limbs. Anatomical ontologies that model the structural relations among parts may fail to include some known anatomical homologies unless they are deliberately added as separate axioms. The consequences of neglecting known homologies for applications that rely on such ontologies has not been well studied. Here, we examine how semantic similarity is affected when external homology knowledge is included. We measure phenotypic similarity between orthologous and non-orthologous gene pairs between humans and either mouse or zebra fish, and compare the inclusion of real with faux homology axioms. Semantic similarity was preferentially increased for orthologs when using real homology axioms, but only in the more divergent of the two species comparisons (human to zebra fish, not human to mouse), and the relative increase was less than 1% to non-orthologs. By contrast, inclusion of both real and faux random homology axioms preferentially increased similarities between genes that were initially more dissimilar in the other comparisons. Biologically meaningful increases in semantic similarity were seen for a select subset of gene pairs. Overall, the effect of including homology axioms on cross-species semantic similarity was modest at the levels of divergence examined here, but our results hint that it may be greater for more distant species comparisons. C1 [Manda, Prashanti; Vision, Todd J.] Univ North Carolina Chapel Hill, Dept Biol, Chapel Hill, NC 27599 USA. [Mungall, Christopher J.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Balhoff, James P.] RTI Int, Res Triangle Pk, NC 27709 USA. [Lapp, Hilmar] Duke Univ, Ctr Genom & Computat Biol, Durham, NC 27708 USA. RP Manda, P (reprint author), Univ North Carolina Chapel Hill, Dept Biol, Chapel Hill, NC 27599 USA. EM manda.prashanti@gmail.com; cjmungall@lbl.gov; jbalhoff@rti.org; hilmar.lapp@duke.edu; tjv@bio.unc.edu NR 27 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE SN 2335-6936 BN 978-981-4749-40-4; 978-981-4749-41-1 J9 BIOCOMPUT-PAC SYM PY 2016 BP 132 EP 143 PG 12 WC Computer Science, Interdisciplinary Applications; Engineering, Electrical & Electronic; Mathematical & Computational Biology SC Computer Science; Engineering; Mathematical & Computational Biology GA BG0LW UT WOS:000386326200013 ER PT J AU Zhu, LY Wang, ZF He, H Tian, G AF Zhu, L. Y. Wang, Z. F. He, H. Tian, G. TI Competition between lanthanides in extraction with tri-n-butyl phosphate in supercritical CO2 from solid nitrates SO RSC ADVANCES LA English DT Article ID CARBON-DIOXIDE; IONIC LIQUID; TBP-HNO3 COMPLEX; FLUID EXTRACTION; SOLUBILITY; URANIUM; ACID; UO2(NO3)(2)CENTER-DOT-2TBP; SEPARATION; SOLVENT AB Competition extraction of lanthanide nitrates with tri-n-butyl phosphate (TBP) in supercritical CO2 (SC-CO2) is investigated by monitoring the absorption spectra of Ln(III) in UV-Vis region. For light lanthanides Nd and Pr, the extracted Nd(III) and Pr(III) complexes with TBP in SC-CO2 increase proportionally with the concentration of TBP and the pressure, and the separation factor, beta(Nd/Pr) does not change obviously. In contrast, for the pair of one light and one heavy lanthanides, Nd and Ho, Nd(III) is preferentially extracted when TBP is inadequate for completely extracting both Nd(III) and Ho(III). In addition, the extraction of heavier Ho(III) is preferred over that of the lighter Nd(III) at higher pressures and temperatures, resulting in an increasing separation factor beta(Ho/Nd). A noteworthy observation should be emphasized, that is the loading capacity of Ln(III) complexes in SC-CO2 is much bigger for mixed Ln(III) ions than for single one Ln(III). The different competition extraction behavior for the light-light Ln(III) pair and for the light-heavy Ln(III) pair, and the enhanced loading capacity of mixed Ln(III) complexes found here provide useful fundamental information for selective extraction of Ln(III) ions in SC-CO2. C1 [Zhu, L. Y.; Wang, Z. F.; He, H.; Tian, G.] China Inst Atom Energy, Dept Radiochem, Beijing 102413, Peoples R China. [Zhu, L. Y.] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Tian, G.] Harbin Engn Univ, Nucl Chem Engn Dept, Harbin 150001, Peoples R China. RP Zhu, LY; Tian, G (reprint author), China Inst Atom Energy, Dept Radiochem, Beijing 102413, Peoples R China.; Zhu, LY (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.; Tian, G (reprint author), Harbin Engn Univ, Nucl Chem Engn Dept, Harbin 150001, Peoples R China. EM zhuly@ciae.ac.cn; tianguoxin@hrbeu.edu.cn FU National Natural Science Foundation of China [21301192]; China Scholarship Council FX This work was supported by the National Natural Science Foundation of China (No. 21301192) and the China Scholarship Council. NR 45 TC 0 Z9 0 U1 4 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 2016 VL 6 IS 99 BP 96531 EP 96537 DI 10.1039/c6ra20687e PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA DZ9ZN UT WOS:000386242500012 ER PT J AU Xu, F Zhu, K Zhao, YX AF Xu, Feng Zhu, Kai Zhao, Yixin TI The layer boundary effect on multi-layer mesoporous TiO2 film based dye sensitized solar cells SO RSC ADVANCES LA English DT Article ID DIFFUSION LENGTH; PHOTOELECTROCHEMICAL CELLS; CONVERSION EFFICIENCY; RECOMBINATION; TRANSPORT; LIGHT; ELECTRONS AB Multi-layer mesoporous TiO2 prepared by screen printing is widely used for fabrication of high-efficiency dye-sensitized solar cells (DSSCs). We compare the three types of similar to 10 mu m thick mesoporous TiO2 films, which were screen printed as 1-, 2-and 4-layers using the same TiO2 nanocrystal paste. The layer boundary of the multi-layer mesoporous TiO2 films was observed in the cross-section SEM. The existence of a layer boundary could reduce the photoelectron diffusion length with the increase of layer number. However, the photoelectron diffusion lengths of the Z907 dye sensitized solar cells based on these different layered mesoporous TiO2 films are all longer than the film thickness. Consequently, the photovoltaic performance seems to have little dependence on the layer number of the multilayer TiO2 based DSSCs. C1 [Xu, Feng; Zhao, Yixin] Shanghai Jiao Tong Univ, Sch Environm Sci & Engn, 800 Dongchuan Rd, Shanghai 200240, Peoples R China. [Zhu, Kai] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. RP Zhao, YX (reprint author), Shanghai Jiao Tong Univ, Sch Environm Sci & Engn, 800 Dongchuan Rd, Shanghai 200240, Peoples R China.; Zhu, K (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. EM kai.zhu@nrel.gov; yixin.zhao@sjtu.edu.cn FU NSFC [51372151, 21303103]; Huoyingdong Grant [151046] FX YZ acknowledges the support of the NSFC (Grant 51372151 and 21303103) and Huoyingdong Grant (151046). NR 23 TC 0 Z9 0 U1 0 U2 0 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 2016 VL 6 IS 100 BP 98167 EP 98170 DI 10.1039/c6ra18830c PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA EA0XO UT WOS:000386312700082 ER PT J AU Li, X Armas-Perez, JC Martinez-Gonzalez, JA Liu, XY Xie, HL Bishop, C Hernandez-Ortiz, JP Zhang, R de Pablo, JJ Nealey, PF AF Li, Xiao Armas-Perez, Julio C. Martinez-Gonzalez, Jose A. Liu, Xiaoying Xie, Helou Bishop, Camille Hernandez-Ortiz, Juan P. Zhang, Rui de Pablo, Juan J. Nealey, Paul F. TI Directed self-assembly of nematic liquid crystals on chemically patterned surfaces: morphological states and transitions SO SOFT MATTER LA English DT Article ID MICROPATTERNED SURFACE; ALIGNMENT; MONOLAYERS; DROPLETS; FILMS; PHOTOALIGNMENT; LITHOGRAPHY; COPOLYMERS; INTERFACES; POLYMERS AB The morphology and through-film optical properties of nematic liquid crystals (LCs) confined between two surfaces may be engineered to create switches that respond to external electric fields, thereby enabling applications in optoelectronics that require fast responses and low power. Interfacial properties between the confining surfaces and the LC play a central role in device design and performance. Here we investigate the morphology of LCs confined in hybrid cells with a top surface that exhibits uniform homeotropic anchoring and a bottom surface that is chemically patterned with sub-micron and micronwide planar anchoring stripes in a background of homeotropic anchoring. In a departure from past work, we first investigate isolated stripes, as opposed to dense periodic arrays of stripes, thereby allowing for an in-depth interpretation of the effects of patterning on LC morphology. We observe three LC morphologies and sharp transitions between them as a function of stripe width in the submicron and micron regimes. Numerical simulations and theory help explain the roles of anchoring energy, elastic deformation, entropy, pattern geometry, and coherence length of the LC in the experimentally observed behavior. The knowledge and models developed from an analysis of results generated on isolated features are then used to design dense patterned substrates for high-contrast and efficient orientational switching of LCs in response to applied fields. C1 [Li, Xiao; Armas-Perez, Julio C.; Martinez-Gonzalez, Jose A.; Liu, Xiaoying; Xie, Helou; Bishop, Camille; Hernandez-Ortiz, Juan P.; Zhang, Rui; de Pablo, Juan J.; Nealey, Paul F.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Li, Xiao; de Pablo, Juan J.; Nealey, Paul F.] Argonne Natl Lab, 9700 South Cass Ave, Argonne, IL 60439 USA. [Armas-Perez, Julio C.] Univ Guanajuato, Div Ciencias & Ingn, Campus Leon,Loma Bosque 103, Leon 37150, Gto, Mexico. [Hernandez-Ortiz, Juan P.] Univ Nacl Colombia Medellin, Dept Mat & Minerales, Calle 75 79A-51,Bloque M17, Medellin, Colombia. RP de Pablo, JJ; Nealey, PF (reprint author), Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.; de Pablo, JJ; Nealey, PF (reprint author), Argonne Natl Lab, 9700 South Cass Ave, Argonne, IL 60439 USA. EM depablo@uchicago.edu; nealey@uchicago.edu OI Hernandez-Ortiz, Juan/0000-0003-0404-9947; Bishop, Camille/0000-0002-2889-1752 FU U.S. Department of Energy, Basic Energy Sciences, Argonne National Laboratory, Materials Sciences and Engineering Division; University of Chicago Research Computing Center; Innovation and Novel Computational Impact on Theory and Experiment (INCITE) program of the Argonne Leadership Computing Facility at Argonne National Laboratory; CONACYT [186166, 203840]; Universidad Nacional de Colombia PhD grant; COLCIENCIAS [110-165-843-748] FX We gratefully acknowledge support by U.S. Department of Energy, Basic Energy Sciences, Argonne National Laboratory, Materials Sciences and Engineering Division. We acknowledge the University of Chicago Research Computing Center for support of this work. An award of computer time was provided by the Innovation and Novel Computational Impact on Theory and Experiment (INCITE) program of the Argonne Leadership Computing Facility at Argonne National Laboratory. Additional development work was performed using the Argonne Laboratory Resource Computing Center (LCRC). J. C. A.-P. is thankful to CONACYT for the Postdoctoral Fellowship under No. 186166 and 203840. J. P. H-O. is grateful to funding provided by the Universidad Nacional de Colombia PhD grant and COLCIENCIAS under Contract No. 110-165-843-748. We acknowledge the MRSEC Shared User Facilities at the University of Chicago (NSF DMR-1420709). We thank Prof. Rudolf Oldenbourg at the Marine Biological Laboratory for the use of the PolScope instrument. NR 53 TC 1 Z9 1 U1 13 U2 13 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 2016 VL 12 IS 41 BP 8595 EP 8605 DI 10.1039/c6sm01733a PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA EA0AW UT WOS:000386247100017 PM 27722676 ER PT J AU McDermott, D Reichhardt, CJO Reichhardt, C AF McDermott, Danielle Reichhardt, Cynthia J. Olson Reichhardt, Charles TI Collective ratchet effects and reversals for active matter particles on quasi-one-dimensional asymmetric substrates SO SOFT MATTER LA English DT Article ID SWIMMING BACTERIA; BROWNIAN MOTORS; TRANSPORT; MOTION; TRANSITIONS; COLLOIDS; WALL AB Using computer simulations, we study a two-dimensional system of sterically interacting self-mobile run-and-tumble disk-shaped particles with an underlying periodic quasi-one-dimensional asymmetric substrate, and show that a rich variety of collective active ratchet behaviors arise as a function of particle density, activity, substrate period, and the maximum force exerted by the substrate. The net dc drift, or ratchet transport flux, is nonmonotonic since it increases with increased activity but is diminished by the onset of self-clustering of the active particles. Increasing the particle density decreases the ratchet transport flux for shallow substrates but increases the ratchet transport flux for deep substrates due to collective hopping events. At the highest particle densities, the ratchet motion is destroyed by a self-jamming effect. We show that it is possible to realize reversals of the direction of the net dc drift in the deep substrate limit when multiple rows of active particles can be confined in each substrate minimum, permitting emergent particle-like excitations to appear that experience an inverted effective substrate potential. We map out a phase diagram of the forward and reverse ratchet effects as a function of the particle density, activity, and substrate properties. C1 [McDermott, Danielle; Reichhardt, Cynthia J. Olson; Reichhardt, Charles] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [McDermott, Danielle] Wabash Coll, Dept Phys, Crawfordsville, IN 47933 USA. RP Reichhardt, CJO (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM cjrx@lanl.gov FU NNSA of the U.S. DoE at LANL [DE-AC52-06NA25396]; U.S. DoE, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Visiting Faculty Program (VFP) FX This work was carried out under the auspices of the NNSA of the U.S. DoE at LANL under Contract No. DE-AC52-06NA25396. The work of DM was supported in part by the U.S. DoE, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Visiting Faculty Program (VFP). NR 64 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 1744-683X EI 1744-6848 J9 SOFT MATTER JI Soft Matter PY 2016 VL 12 IS 41 BP 8606 EP 8615 DI 10.1039/c6sm01394e PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA EA0AW UT WOS:000386247100018 PM 27714306 ER PT S AU Jin, HY Afiuny, P McIntyre, T Yih, Y Sutherland, JW AF Jin, Hongyue Afiuny, Peter McIntyre, Timothy Yih, Yuehwern Sutherland, John W. BE Seliger, G Kruger, J TI Comparative Life Cycle Assessment of NdFeB Magnets: Virgin Production versus Magnet-to-Magnet Recycling SO 23RD CIRP CONFERENCE ON LIFE CYCLE ENGINEERING SE Procedia CIRP LA English DT Proceedings Paper CT 23rd CIRP Conference on Life Cycle Engineering CY MAY 22-24, 2016 CL Berlin, GERMANY SP CIRP DE Life cycle assessment (LCA); NdFeB magnets; Value recovery; Rare earth elements ID PERMANENT-MAGNETS; SINTERED MAGNETS; RARE-EARTHS AB Rare earth elements such as neodymium and dysprosium have a substantial supply risk. Yet these elements are needed for NdFeB magnets that are indispensable for clean energy applications such as hybrid/electric vehicles and wind turbines. In order to attenuate the supply risk, recycling of NdFeB magnets from end-of-life (EOL) products is a promising alternative. Life Cycle Assessments (LCAs) have been performed for NdFeB magnets produced from newly mined ("virgin") material and for magnets produced using a magnet-to-magnet recycling process. A comparison of the results shows that the value recovery system has significantly less environmental impact than virgin production. (C) 2016 The Authors. Published by Elsevier B.V. C1 [Jin, Hongyue; Yih, Yuehwern] Purdue Univ, Sch Ind Engn, W Lafayette, IN 47907 USA. [Afiuny, Peter] Urban Min Co, Austin, TX 78744 USA. [McIntyre, Timothy] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Sutherland, John W.] Purdue Univ, Environm & Ecol Engn, W Lafayette, IN 47907 USA. RP Sutherland, JW (reprint author), Purdue Univ, Environm & Ecol Engn, W Lafayette, IN 47907 USA. EM jwsuther@purdue.edu NR 15 TC 0 Z9 0 U1 19 U2 19 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2212-8271 J9 PROC CIRP PY 2016 VL 48 BP 45 EP 50 DI 10.1016/j.procir.2016.03.013 PG 6 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA BF9AT UT WOS:000385400300008 ER PT S AU Kornev, KG Monaenkova, D Adler, PH Beard, CE Lee, WK AF Kornev, Kostantin G. Monaenkova, Dania Adler, Peter H. Beard, Charles E. Lee, Wah-Keat BE MartinPalma, RJ Lakhtakia, A Knez, M TI The butterfly proboscis as a fiber-based, self-cleaning, micro-fluidic system SO BIOINSPIRATION, BIOMIMETICS, AND BIOREPLICATION 2016 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Bioinspiration, Biomimetics, and Bioreplication CY MAR 21-22, 2016 CL Las Vegas, NV SP SPIE, Polytec Inc, OZ Opt Ltd, APS Dynam Inc, TA Electroforce Corp, ElectroForce Syst Grp, Inst Phys, American Elements, Opt Soc Southern California DE Butterfly proboscis; capillarity; Laplace law; shaped fiber ID INSECT CUTICLE; DRINKING-STRAW; MOUTHPARTS; MENISCUS; MECHANISMS; PARTICLES; EVOLUTION; SODIUM; PLANTS; WATER AB The butterfly proboscis is a unique, naturally engineered device for acquiring liquid food, which also minimizes concerns for viscosity and stickiness of the fluids. With a few examples, we emphasize the importance of the scale-form-functionality triangle of this feeding device and the coupling through capillarity. C1 [Kornev, Kostantin G.; Monaenkova, Dania] Clemson Univ, Dept Mat Sci & Engn, Clemson, SC 29634 USA. [Adler, Peter H.; Beard, Charles E.] Clemson Univ, Dept Agr & Environm Sci, Clemson, SC 29634 USA. [Lee, Wah-Keat] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP Kornev, KG (reprint author), Clemson Univ, Dept Mat Sci & Engn, Clemson, SC 29634 USA. EM kkornev@clemson.edu NR 53 TC 0 Z9 0 U1 3 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 978-1-5106-0038-6 J9 PROC SPIE PY 2016 VL 9797 AR UNSP 979705 DI 10.1117/12.2218941 PG 10 WC Biophysics; Physics, Applied SC Biophysics; Physics GA BF9OZ UT WOS:000385792100004 ER PT J AU Cole, JM Irie, M AF Cole, Jacqueline M. Irie, Masahiro TI Solid-state photochemistry SO CRYSTENGCOMM LA English DT Editorial Material C1 [Cole, Jacqueline M.] Univ Cambridge, Cavendish Lab, Dept Phys, JJ Thomson Ave, Cambridge CB3 0HE, England. [Cole, Jacqueline M.] Univ Cambridge, Dept Chem Engn & Biotechnol, Charles Babbage Rd, Cambridge CB3 0FS, England. [Cole, Jacqueline M.] STFC Rutherford Appleton Lab, ISIS Neutron & Muon Source, Harwell Sci & Innovat Campus, Didcot OX11 0QX, Oxon, England. [Cole, Jacqueline M.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Irie, Masahiro] Rikkyo Univ, Dept Chem, Toshima Ku, 3-34-1 Nishi Ikebukuro, Tokyo 1718501, Japan. [Irie, Masahiro] Rikkyo Univ, Res Ctr Smart Mol, Toshima Ku, 3-34-1 Nishi Ikebukuro, Tokyo 1718501, Japan. RP Cole, JM (reprint author), Univ Cambridge, Cavendish Lab, Dept Phys, JJ Thomson Ave, Cambridge CB3 0HE, England.; Cole, JM (reprint author), Univ Cambridge, Dept Chem Engn & Biotechnol, Charles Babbage Rd, Cambridge CB3 0FS, England.; Cole, JM (reprint author), STFC Rutherford Appleton Lab, ISIS Neutron & Muon Source, Harwell Sci & Innovat Campus, Didcot OX11 0QX, Oxon, England.; Cole, JM (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.; Irie, M (reprint author), Rikkyo Univ, Dept Chem, Toshima Ku, 3-34-1 Nishi Ikebukuro, Tokyo 1718501, Japan.; Irie, M (reprint author), Rikkyo Univ, Res Ctr Smart Mol, Toshima Ku, 3-34-1 Nishi Ikebukuro, Tokyo 1718501, Japan. EM jmc61@cam.ac.uk; iriem@rikkyo.ac.jp RI Cole, Jacqueline/C-5991-2008 NR 0 TC 0 Z9 0 U1 1 U2 1 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 2016 VL 18 IS 38 BP 7175 EP 7179 DI 10.1039/c6ce90146h PG 5 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA DY9BW UT WOS:000385428400001 ER PT J AU Hawkins, CA Bustillos, CG May, I Copping, R Nilsson, M AF Hawkins, Cory A. Bustillos, Christian G. May, Iain Copping, Roy Nilsson, Mikael TI Water-soluble Schiff base-actinyl complexes and their effect on the solvent extraction of f-elements SO DALTON TRANSACTIONS LA English DT Article ID MOLECULAR-STRUCTURE; ACID; SEPARATION; NEPTUNIUM; ACTINIDES; LANTHANIDES; URANIUM(VI); CONSTANTS; MIXTURES; CRYSTAL AB Conventional solvent extraction of selected f-element cations by bis(2-ethylhexyl)phosphoric acid (HDEHP) yields increased extraction from aqueous to organic solution along the series Np(V) < Cm(III) < Eu(III) < U(VI), with distribution ratios all within two orders of magnitude. However, in the presence of the water-soluble tetradentate Schiff base (N,N'-bis(5-sulfonatosalicylidene)-ethylenediamine or H(2)salenSO(3)), selective complexation of the two actinyl cations (Np(V) and U(VI)) resulted in an extraction order of Np(V) < U(VI) << Eu(III) < Cm(III). The extraction of neither Cm(III) or Eu(III) by HDEHP are significantly impacted by the presence of the aqueous phase Schiff base. Despite observed hydrolytic decomposition of H2salenSO3 in aqueous solutions, the calculated high conditional stability constant (beta(11) = 26) for the complex [UO2(salen(S)O(3))](2-) demonstrates its capacity for aqueous hold-back of U(VI). UV-visible-NIR spectroscopy of solutions prepared with a Np(VI) stock and H(2)salenSO(3) suggest that reduction of Np(VI) to Np(V) by the ligand was rapid, resulting in a pentavalent Np complex that was substantially retained in the aqueous phase. Results from H-1 NMR of aqueous solutions of H(2)salenSO(3) with U(VI) and La(III), Eu(III), and Lu(III) provides additional evidence that the ligand readily chelates U(VI), but has only weak interactions with trivalent lanthanide ions. C1 [Hawkins, Cory A.; Bustillos, Christian G.; Nilsson, Mikael] Univ Calif Irvine, Dept Chem Engn & Mat Sci, Irvine, CA 92697 USA. [Bustillos, Christian G.; May, Iain; Copping, Roy] Los Alamos Natl Lab, Sci Technol & Engn, Los Alamos, NM 87545 USA. [Hawkins, Cory A.] Tennessee Technol Univ, Dept Chem, Cookeville, TN 38505 USA. [Copping, Roy] Oak Ridge Natl Lab, Isotope Dev Grp, Oak Ridge, TN 37830 USA. RP Hawkins, CA (reprint author), Univ Calif Irvine, Dept Chem Engn & Mat Sci, Irvine, CA 92697 USA.; Hawkins, CA (reprint author), Tennessee Technol Univ, Dept Chem, Cookeville, TN 38505 USA. EM cahawkins@tntech.edu FU University of California under the UCOP [12-LF-237294]; Los Alamos National Laboratory Seaborg Institute; National Nuclear Security Administration of the Department of Energy [DE-AC52-06NA25396] FX This work was supported by the University of California under the UCOP Grant ID# 12-LF-237294, awarded jointly to UC Irvine and Los Alamos National Laboratory. C. G. B. acknowledges the support of the Los Alamos National Laboratory Seaborg Institute for Summer Research Fellowships. Los Alamos National Security, LLC, operates Los Alamos National Laboratory for the National Nuclear Security Administration of the Department of Energy under contract DE-AC52-06NA25396. NR 41 TC 0 Z9 0 U1 7 U2 7 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 2016 VL 45 IS 39 BP 15415 EP 15426 DI 10.1039/c6dt01357k PG 12 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DY5SA UT WOS:000385161400018 PM 27604851 ER PT J AU Roy, LE Martin, LR AF Roy, Lindsay E. Martin, Leigh R. TI Theoretical prediction of coordination environments and stability constants of lanthanum lactate complexes in solution SO DALTON TRANSACTIONS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; AQUEOUS-SOLUTION; BASIS-SETS; CHEMISTRY; EUROPIUM(III); SPECTROSCOPY; TEMPERATURES; HYDROGEN; MODELS AB Using Density Functional Theory calculations in combination with explicit solvent and a continuum solvent model, this work sets out to understand the coordination environment and relevant thermodynamics of La(III)-lactate complexes. Calculations focus on the coordination modes for the complexes and changes in Gibbs free energy for complexation in solution. These results confirm that the a-hydroxyl group should be protonated, or at least hydrogen bonded to a water molecule, upon successive addition of the lactate ligand to the La(III) center using Bader's Atoms-in Molecules (AIM) approach. In addition, we present a straightforward method for predicting stability constants at the semi-quantitative level for La(III)-lactate complexes in solution. The proposed method could be particularly useful for prediction of lanthanide complex formation in various biochemical, environmental, and nuclear separations processes. C1 [Roy, Lindsay E.] Savannah River Natl Lab, POB A, Aiken, SC 29808 USA. [Martin, Leigh R.] Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. RP Roy, LE (reprint author), Savannah River Natl Lab, POB A, Aiken, SC 29808 USA. EM lindsay.roy@srnl.doe.gov OI Martin, Leigh/0000-0001-7241-7110 FU Thermodynamics and Kinetics program - Material Recovery and Waste Forms Campaign under Fuel Cycle Technologies for U.S. Department of Energy/Nuclear Energy; U.S. Department of Energy [DE-AC09-08SR22470, DE-AC07-05ID14517] FX This work was supported by the Thermodynamics and Kinetics program sponsored by the Material Recovery and Waste Forms Campaign under Fuel Cycle Technologies for U.S. Department of Energy/Nuclear Energy. Savannah River National Laboratory is operated by Savannah River Nuclear Solutions, LLC, for the U.S. Department of Energy under Contract no. DE-AC09-08SR22470. Idaho National Laboratory is operated by Battelle Energy Alliance, for the U.S. Department of Energy under Contract no. DE-AC07-05ID14517. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for United States Government purposes. NR 25 TC 0 Z9 0 U1 2 U2 2 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 2016 VL 45 IS 39 BP 15517 EP 15522 DI 10.1039/c5dt03385c PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DY5SA UT WOS:000385161400029 PM 27704061 ER PT J AU Martineau, C Allix, M Suchomel, MR Porcher, F Vivet, F Legein, C Body, M Massiot, D Taulelle, F Fayon, F AF Martineau, Charlotte Allix, Mathieu Suchomel, Matthew R. Porcher, Florence Vivet, Francois Legein, Christophe Body, Monique Massiot, Dominique Taulelle, Francis Fayon, Franck TI Structure determination of Ba5AlF13 by coupling electron, synchrotron and neutron powder diffraction, solid-state NMR and ab initio calculations SO DALTON TRANSACTIONS LA English DT Article ID F-19 MAS NMR; ANHARMONIC THERMAL VIBRATIONS; FLUORIDE-ION MOBILITY; X-RAY; CRYSTAL-STRUCTURE; DFT CALCULATIONS; 1ST-PRINCIPLES CALCULATIONS; SPECTROSCOPY; PARAMETERS; RESOLUTION AB The room temperature structure of Ba5AlF13 has been investigated by coupling electron, synchrotron and neutron powder diffraction, solid-state high-resolution NMR (F-19 and Al-27 and first principles calculations. An initial structural model has been obtained from electron and synchrotron powder diffraction data, and its main features have been confirmed by one- and two-dimensional NMR measurements. However, DFT GIPAW calculations of the F-19 isotropic shieldings revealed an inaccurate location of one fluorine site (F3, site 8a), which exhibited unusual long F-Ba distances. The atomic arrangement was reinvestigated using neutron powder diffraction data. Subsequent Fourier maps showed that this fluorine atom occupies a crystallographic site of lower symmetry (32e) with partial occupancy (25%). GIPAW computations of the NMR parameters validate the refined structural model, ruling out the presence of local static disorder and indicating that the partial occupancy of this F site reflects a local motional process. Visualisation of the dynamic process was then obtained from the Rietveld refinement of neutron diffraction data using an enharmonic description of the displacement parameters to account for the thermal motion of the mobile fluorine. The whole ensemble of powder diffraction and NMR data, coupled with first principles calculations, allowed drawing an accurate structural model of Ba5AlF13, including site-specific dynamical disorder in the fluorine sub-network. C1 [Martineau, Charlotte; Taulelle, Francis] Univ Versailles St Quentin Yvelines, CNRS UMR 8180, Inst Lavoisier Versailles, Tectospin, 15 Ave Etats Unix, F-78035 Versailles, France. [Martineau, Charlotte; Allix, Mathieu; Vivet, Francois; Massiot, Dominique; Fayon, Franck] Univ Orleans, CNRS, CEMHIT UPR3079, F-45071 Orleans, France. [Suchomel, Matthew R.] Adv Photon Source, Argonne Natl Lab, Argonne, IL 60439 USA. [Porcher, Florence] CEA Saclay, Lab Leon Brillouin, F-91191 Gif Sur Yvette, France. [Legein, Christophe; Body, Monique] Univ Maine, Univ Bretagne Loire, CNRS UMR 6283, Inst Mol & Mat Mans, Ave Olivier Messiaen, F-72085 Le Mans 9, France. RP Martineau, C (reprint author), Univ Versailles St Quentin Yvelines, CNRS UMR 8180, Inst Lavoisier Versailles, Tectospin, 15 Ave Etats Unix, F-78035 Versailles, France.; Martineau, C; Allix, M; Fayon, F (reprint author), Univ Orleans, CNRS, CEMHIT UPR3079, F-45071 Orleans, France. EM charlotte.martineau@uvsq.fr; mathieu.allix@cnrs-orleans.fr; Matthew.Suchomeil@icmcb.cnrs.fr; florence.porcher@cea.fr; chrislophe.legein@univ-lemans.fr; monique.hody@univ-lemans.fr; dominique.massiot@cnrs-orleans.fr; francis.taulelle@chimie.uvsq.fr; franck.fayon@cnrs-orleans.fr RI Legein, Christophe/B-3553-2008; Fayon, Franck/C-1835-2008; Allix, Mathieu/C-1679-2008 OI Legein, Christophe/0000-0001-7426-8817; Allix, Mathieu/0000-0001-9317-1316 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; French ANR [ANR-12-JS08-0008-01]; Institut Universitaire de France (IUF); [12409] FX The authors thank Pr. Ariel de Kozack who supplied the sample. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. The neutron experiments realized at the Laboratoire Leon Brillouin in Saclay have been supported by project no. 12409. All computations presented in this work have been performed at the "Centre de Calcul Scientifique en Region Centre" facility (CCRS - Orleans, France) under the CASCIMODOT program. CM thanks the French ANR (contract no. ANR-12-JS08-0008-01) and the Institut Universitaire de France (IUF) for financial support. MA thanks the "Interfaces, Confinement, Materiaux et Nanostructures" (ICMN - Orleans, France) for TEM access and P. Roussel (UCCS, Lille, France) for fruitful discussions on anharmonic Rietveld refinements. NR 65 TC 0 Z9 0 U1 18 U2 18 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 2016 VL 45 IS 39 BP 15565 EP 15574 DI 10.1039/c6dt02454h PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DY5SA UT WOS:000385161400035 PM 27722721 ER PT S AU Widlund, OB Dohrmann, CR AF Widlund, Olof B. Dohrmann, Clark R. BE Dickopf, T Gander, MJ Halpern, L Krause, R Pavarino, LF TI BDDC Deluxe Domain Decomposition SO DOMAIN DECOMPOSITION METHODS IN SCIENCE AND ENGINEERING XXII SE Lecture Notes in Computational Science and Engineering LA English DT Proceedings Paper CT 22nd International Conference on Domain Decomposition Methods (DD22) CY SEP 16-20, 2013 CL Univ Svizzera Italiana, Inst Computat Sci, Lugano, SWITZERLAND HO Univ Svizzera Italiana, Inst Computat Sci C1 [Widlund, Olof B.] Courant Inst, 251 Mercer St, New York, NY 10012 USA. [Dohrmann, Clark R.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Widlund, OB (reprint author), Courant Inst, 251 Mercer St, New York, NY 10012 USA. EM widlund@cims.nyu.edu; crdohrm@sandia.gov NR 16 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 978-3-319-18827-0; 978-3-319-18826-3 J9 LECT NOTES COMP SCI PY 2016 VL 104 BP 93 EP 103 DI 10.1007/978-3-319-18827-0_8 PG 11 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic; Mathematics, Applied SC Computer Science; Engineering; Mathematics GA BF9NY UT WOS:000385789500008 ER PT S AU Speck, R Ruprecht, D Minion, M Emmett, M Krause, R AF Speck, Robert Ruprecht, Daniel Minion, Michael Emmett, Matthew Krause, Rolf BE Dickopf, T Gander, MJ Halpern, L Krause, R Pavarino, LF TI Inexact Spectral Deferred Corrections SO DOMAIN DECOMPOSITION METHODS IN SCIENCE AND ENGINEERING XXII SE Lecture Notes in Computational Science and Engineering LA English DT Proceedings Paper CT 22nd International Conference on Domain Decomposition Methods (DD22) CY SEP 16-20, 2013 CL Univ Svizzera Italiana, Inst Computat Sci, Lugano, SWITZERLAND HO Univ Svizzera Italiana, Inst Computat Sci ID DIFFERENTIAL-EQUATIONS; TIME DISCRETIZATION; PARAREAL; PARALLEL C1 [Speck, Robert] Forschungszentrum Julich, Julich Supercomp Ctr, D-52425 Julich, Germany. [Speck, Robert; Ruprecht, Daniel; Krause, Rolf] Univ Svizzera Italiana, Inst Computat Sci, Lugano, Switzerland. [Minion, Michael] Stanford Univ, Inst Computat & Math Engn, Stanford, CA 94305 USA. [Emmett, Matthew] Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. RP Speck, R (reprint author), Forschungszentrum Julich, Julich Supercomp Ctr, D-52425 Julich, Germany. EM r.speck@fz-juelich.de; daniel.ruprecht@usi.ch; mlminion@stanford.edu; mwemmett@lbl.gov; rolf.krause@usi.ch OI Speck, Robert/0000-0002-3879-1210 NR 17 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 978-3-319-18827-0; 978-3-319-18826-3 J9 LECT NOTES COMP SCI PY 2016 VL 104 BP 389 EP 396 DI 10.1007/978-3-319-18827-0_39 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic; Mathematics, Applied SC Computer Science; Engineering; Mathematics GA BF9NY UT WOS:000385789500039 ER PT S AU Graff, DL Love, SP AF Graff, David L. Love, Steven P. BE Douglass, MR King, PS Lee, BL TI Real-time video imaging of gas plumes using a DMD-enabled full-frame programmable spectral filter SO EMERGING DIGITAL MICROMIRROR DEVICE BASED SYSTEMS AND APPLICATIONS VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Emerging Digital Micromirror Device Based Systems and Applications VIII CY FEB 15-17, 2016 CL San Francisco, CA SP SPIE, DLP Texas Instruments DE hyperspectral imaging; spectral matched filters; chemical detection; real-time spectral imaging; micromirror array; DLP; DMD AB Programmable spectral filters based on digital micromirror devices (DMDs) are typically restricted to imaging a 1D line across a scene, analogous to conventional "push-broom scanning" hyperspectral imagers. In previous work, however, we demonstrated that, by placing the diffraction grating at a telecentric image plane rather than at the more conventional location in collimated space, a spectral plane can be created at which light from the entire 2D scene focuses to a unique location for each wavelength. A DMD placed at this spectral plane can then spectrally manipulate an entire 2D image at once, enabling programmable matched filters to be applied to real-time video imaging. We have adapted this concept to imaging rapidly evolving gas plumes. We have constructed a high spectral resolution programmable spectral imager operating in the shortwave infrared region, capable of resolving the rotational-vibrational line structure of several gases at sub-nm spectral resolution. This ability to resolve the detailed gas-phase line structure enables implementation of highly selective filters that unambiguously separate the gas spectrum from background spectral clutter. On-line and between-line multi-band spectral filters, with bands individually weighted using the DMD's duty-cycle-based grayscale capability, are alternately uploaded to the DMD, the resulting images differenced, and the result displayed in real time at rates of several frames per second to produce real-time video of the turbulent motion of the gas plume. C1 [Graff, David L.; Love, Steven P.] Los Alamos Natl Lab, Space & Remote Sensing Sci Grp ISR 2, Mail Stop B244, Los Alamos, NM 87544 USA. RP Graff, DL (reprint author), Los Alamos Natl Lab, Space & Remote Sensing Sci Grp ISR 2, Mail Stop B244, Los Alamos, NM 87544 USA. OI Love, Steven/0000-0003-0588-9622 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 978-1-62841-996-2 J9 PROC SPIE PY 2016 VL 9761 AR 97610C DI 10.1117/12.2211187 PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BF6RI UT WOS:000383611000005 ER PT J AU Lee, KJ Moridis, GJ Ehlig-Economides, CA AF Lee, Kyung Jae Moridis, George J. Ehlig-Economides, Christine A. TI In situ upgrading of oil shale by Steamfrac in multistage transverse fractured horizontal well system SO ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS LA English DT Article DE Hot water injection; hydraulic fracture; kerogen; in-situ upgrading; oil shale AB We conduct numerical simulations of kerogen pyrolysis by the in situ upgrading process of Steamfrac, which entails the steam or hot-water injection into multistage transverse fractured horizontal well systems, by using a fully functional simulator developed to describe the in situ upgrading process. We first conduct simulation cases of a huff-n-puff method to analyze the sensitivity of temperature distribution of the reservoir to the positions of horizontal wells. Then, we conduct continuous hot-water injection and simultaneous fluid production cases, and analyze the productivity by applying two different irreducible saturations of aqueous phase in the rock matrix. C1 [Lee, Kyung Jae; Moridis, George J.] Lawrence Berkeley Natl Lab, Earth Geosci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Ehlig-Economides, Christine A.] Univ Houston, Dept Petr Enginnering, Houston, TX USA. RP Lee, KJ (reprint author), Lawrence Berkeley Natl Lab, Earth Geosci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM KyungJaeLee@lbl.gov FU Crisman Institute of the Texas A M University FX We appreciate Crisman Institute of the Texas A & M University for supporting this research. NR 6 TC 0 Z9 0 U1 6 U2 6 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1556-7036 EI 1556-7230 J9 ENERG SOURCE PART A JI Energy Sources Part A-Recovery Util. Environ. Eff. PY 2016 VL 38 IS 20 BP 3034 EP 3041 DI 10.1080/15567036.2015.1135209 PG 8 WC Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA DZ4GL UT WOS:000385816600013 ER PT J AU Levitskaia, TG Chatterjee, S Pence, NK Romero, J Varga, T Engelhard, MH Du, YG Kovarik, L Arey, BW Bowden, ME Walter, ED AF Levitskaia, Tatiana G. Chatterjee, Sayandev Pence, Natasha K. Romero, Jesus Varga, Tamas Engelhard, Mark H. Du, Yingge Kovarik, Libor Arey, Bruce W. Bowden, Mark E. Walter, Eric D. TI Inorganic tin aluminophosphate nanocomposite for reductive separation of pertechnetate SO ENVIRONMENTAL SCIENCE-NANO LA English DT Article ID WASTE STREAMS; IRON-SULFIDE; HIGH PH; TECHNETIUM; PHOSPHATE; ION; IMMOBILIZATION; REMOVAL; TIO2; TCO2 AB Pertechnetate (TcO4-) is the most abundant chemical form of the radioactive contaminant Tc-99 present in legacy nuclear waste streams and in the subsurface of nuclear waste storage sites. One proposed remediation approach is reductive separation of TcO4-and sequestration in low-temperature waste forms. The development of relevant technologies has been slow due to the lack of reductive materials that retain their functionality and are otherwise suitable for application in multicomponent and aggressive media such as highly alkaline, brine-like solutions typifying nuclear tank wastes. In this work, a tin-based reductive material was prepared, and its potential utility for the separation of TcO4-from alkaline nuclear wastes was demonstrated. This material consists of Sn(II/IV) phosphate supported by a polycrystalline aluminophosphate matrix. The aluminophosphate matrix is inert to the reaction conditions and offers the benefits of high stability and low solubility in concentrated alkaline solutions. This Sn(II/IV)-based material exhibits a high loading capacity for Tc and selectively removes a major fraction of TcO4-from the tank waste supernatant simulant, which contains 7.8 M total sodium and 2.43 M free hydroxide concentrations. Observed Kd values for Tc are about 13000 and 2200 mL g(-1) for simulant solutions containing no or 33 mM Cr(VI), respectively, positioning Sn(II/IV) aluminophosphate among the best-performing reductive sorbents for TcO4-developed to date. This advanced behaviour is attributed to the synergistic combination of the Sn(II/IV) aluminophosphate functionalities. The presence of Sn(II/IV)-rich fibres facilitates the reduction of TcO4-to Tc(IV), which is embedded along the fibre branches. Importantly, the Sn(IV)-containing inert polycrystalline matrix also incorporates Tc(IV) which triggers its crystallization to cassiterite SnO2 phase and stabilizes Tc(IV) in the polycrystalline matrix. C1 [Levitskaia, Tatiana G.; Chatterjee, Sayandev; Pence, Natasha K.; Romero, Jesus; Arey, Bruce W.] Pacific Northwest Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. [Varga, Tamas; Engelhard, Mark H.; Kovarik, Libor; Bowden, Mark E.; Walter, Eric D.] Pacific Northwest Natl Lab, Environm & Mol Sci Lab, Richland, WA 99354 USA. [Du, Yingge] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99354 USA. RP Levitskaia, TG; Chatterjee, S (reprint author), Pacific Northwest Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. EM Tatiana.Levitskaia@pnnl.gov; Sayandev.Chatterjee@pnnl.gov RI Walter, Eric/P-9329-2016; OI Chatterjee, Sayandev/0000-0003-2218-5635 FU Laboratory Directed Research and Development Program at the Pacific Northwest National Laboratory [DE-AC05-76RL01830] FX This research was supported by the Laboratory Directed Research and Development Program at the Pacific Northwest National Laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. Part of this research was performed at EMSL, a national scientific user facility at PNNL managed by the Department of Energy's Office of Biological and Environmental Research. The authors thank Drs. Nickola P. Qafoku and Nancy M. Washton for the useful discussions and Dr. James J. Neeway for preparing the LAW simulant solutions. NR 44 TC 0 Z9 0 U1 4 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2051-8153 EI 2051-8161 J9 ENVIRON SCI-NANO JI Environ.-Sci. Nano PY 2016 VL 3 IS 5 BP 1003 EP 1013 DI 10.1039/c6en00130k PG 11 WC Chemistry, Multidisciplinary; Environmental Sciences; Nanoscience & Nanotechnology SC Chemistry; Environmental Sciences & Ecology; Science & Technology - Other Topics GA DY6SI UT WOS:000385257900007 ER PT J AU Hachtel, JA Yu, S Lupini, AR Pantelides, ST Gich, M Laromaine, A Roig, A AF Hachtel, J. A. Yu, S. Lupini, A. R. Pantelides, S. T. Gich, M. Laromaine, A. Roig, A. TI Gold nanotriangles decorated with superparamagnetic iron oxide nanoparticles: a compositional and microstructural study SO FARADAY DISCUSSIONS LA English DT Article ID SHAPE-CONTROLLED SYNTHESIS; POLYOL SYNTHESIS; REDUCTION; NANOSTRUCTURES; NANOCRYSTALS; NANOPRISMS; THERAPY; GROWTH; SILVER; ROUTE AB The combination of iron oxide and gold in a single nanoparticle results in both magnetic and plasmonic properties that can stimulate novel applications in bio-sensing, medical imaging, or therapeutics. Microwave assisted heating allows the fabrication of multicomponent, multi-functional nanostructures by promoting selective heating at desired sites. Recently, we reported a microwave-assisted polyol route yielding gold nanotriangles decorated with iron oxide nanoparticles. Here, we present an in-depth microstructural and compositional characterization of the system using scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). A method to remove the iron oxide nanoparticles from the gold nanocrystals and some insights on crystal nucleation and growth mechanisms are also provided. C1 [Hachtel, J. A.; Lupini, A. R.; Pantelides, S. T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Hachtel, J. A.; Lupini, A. R.; Pantelides, S. T.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Yu, S.; Gich, M.; Laromaine, A.; Roig, A.] ICMAB CSIC, Inst Ciencia Mat Barcelona, Campus UAB, E-08193 Bellaterra, Catalunya, Spain. [Pantelides, S. T.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. RP Roig, A (reprint author), ICMAB CSIC, Inst Ciencia Mat Barcelona, Campus UAB, E-08193 Bellaterra, Catalunya, Spain. EM roig@icmab.es RI Hachtel, Jordan/R-1263-2016; ROIG, ANNA/E-7616-2011; Gich, Marti/H-7179-2012 OI Hachtel, Jordan/0000-0002-9728-0920; ROIG, ANNA/0000-0001-6464-7573; Gich, Marti/0000-0001-9958-0057 FU Spanish Ministry of Economy and Competitiveness; European Social Funds [MAT2012-35324]; Severo Ochoa Programme for Centers of Excellence in RD [SEV-2015-0496]; Ramon y Cajal program [RyC-2010-06082]; Generalitat de Catalunya [2014SGR213]; Chinese Scholarship Council [201206150053]; COST Action [MP1202]; U.S. Department of Energy [DE-FG02-09ER46554]; Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division FX This research was partially funded by the Spanish Ministry of Economy and Competitiveness in co-funding with European Social Funds through the MAT2012-35324 project, the Severo Ochoa Programme for Centers of Excellence in R&D (SEV-2015-0496) and the Ramon y Cajal program (AL, RyC-2010-06082) and the Generalitat de Catalunya (2014SGR213). Authors also acknowledge support of the Chinese Scholarship Council (SMY, 201206150053) and the following projects: COST Action MP1202, and the U.S. Department of Energy grant DE-FG02-09ER46554 (JAH, STP). The authors thank Dr. Gabriel Veith of Oak Ridge National Laboratory for providing the iron-oxide reference samples. Work at Oak Ridge National Laboratory was supported by the Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 42 TC 1 Z9 1 U1 7 U2 7 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 2016 VL 191 BP 215 EP 227 DI 10.1039/c6fd00028b PG 13 WC Chemistry, Physical SC Chemistry GA DY6SC UT WOS:000385257300014 PM 27419918 ER PT S AU Kotov, IV Haupt, J OConnor, P Smith, T Takacs, P Neal, H Chiang, J AF Kotov, Ivan V. Haupt, Justine OConnor, Paul Smith, Thomas Takacs, Peter Neal, Homer Chiang, Jim BE Holland, AD Beletic, J TI Characterization and acceptance testing of fully depleted thick CCDs for the Large Synoptic Survey Telescope SO HIGH ENERGY, OPTICAL, AND INFRARED DETECTORS FOR ASTRONOMY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on High Energy, Optical, and Infrared Detectors for Astronomy VII CY JUN 26-29, 2016 CL Edinburgh, SCOTLAND SP SPIE DE CCD; Characterization; calibration ID PAIR CREATION ENERGY; FANO FACTOR; X-RAYS; TEMPERATURE-DEPENDENCE; SILICON; RANGE AB The Large Synoptic Survey Telescope (LSST) camera will be made as a mosaic assembled of 189 large format Charge Coupled Devices (CCD). They are n-channel, 100 micron thick devices operated in the over depleted regime. There are 16 segments, 1 million pixels each, that are read out through separate amplifiers. The image quality and readout speed expected from LSST camera translates into strict acceptance requirements for individual sensors. Prototype sensors and preproduction CCDs were delivered by vendors and they have been used for developing test procedures and protocols. Building upon this experience, two test stands were designed and commissioned at Brookhaven National Laboratory for production electro-optical testing. In this article, the sensor acceptance criteria are outlined and discussed, the test stand design and used equipment are presented and the results from commissioning sensor runs are shown. C1 [Kotov, Ivan V.; Haupt, Justine; OConnor, Paul; Smith, Thomas; Takacs, Peter] Brookhaven Natl Lab, Upton, NY 11777 USA. [Neal, Homer; Chiang, Jim] SLAC, Menlo Pk, CA 94025 USA. RP Kotov, IV (reprint author), Brookhaven Natl Lab, Upton, NY 11777 USA. EM kotov@bnl.gov NR 25 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 978-1-5106-0209-0; 978-1-5106-0210-6 J9 PROC SPIE PY 2016 VL 9915 PN 1 PG 13 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PM UT WOS:000385793400028 ER PT S AU Lowell, A Boggs, S Chiu, JL Kierans, C McBride, S Tseng, CH Zoglauer, A Amman, M Chang, HK Jean, P Lin, CH Sleator, C Tomsick, J von Ballmoos, P Yang, CY AF Lowell, A. Boggs, S. Chiu, J. L. Kierans, C. McBride, S. Tseng, C. H. Zoglauer, A. Amman, M. Chang, H. K. Jean, P. Lin, C. H. Sleator, C. Tomsick, J. von Ballmoos, P. Yang, C. Y. BE Holland, AD Beletic, J TI Positional Calibrations of the Germanium Double Sided Strip Detectors for the Compton Spectrometer and Imager SO HIGH ENERGY, OPTICAL, AND INFRARED DETECTORS FOR ASTRONOMY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on High Energy, Optical, and Infrared Detectors for Astronomy VII CY JUN 26-29, 2016 CL Edinburgh, SCOTLAND SP SPIE DE Gamma-Ray; Compton; Telescope; Germanium; Detector ID RESOLUTION AB The Compton Spectrometer and Imager (COSI) is a medium energy gamma ray (0.2 - 10 MeV) imager designed to observe high-energy processes in the universe from a high altitude balloon platform. At its core, COSI is comprised of twelve high purity germanium double sided strip detectors which measure particle interaction energies and locations with high precision. This manuscript focuses on the positional calibrations of the COSI detectors. The interaction depth in a detector is inferred from the charge collection time difference between the two sides of the detector. We outline our previous approach to this depth calibration and also describe a new approach we have recently developed. Two dimensional localization of interactions along the faces of the detector (x and y) is straightforward, as the location of the triggering strips is simply used. However, we describe a possible technique to improve the x/y position resolution beyond the detector strip pitch of 2 mm. With the current positional calibrations, COSI achieves an angular resolution of 5.6 +/- 0.1 degrees at 662 keV, close to our expectations from simulations. C1 [Lowell, A.; Boggs, S.; Chiu, J. L.; Kierans, C.; McBride, S.; Zoglauer, A.; Sleator, C.; Tomsick, J.] Univ Calif Berkeley, Space Sci Lab, 7 Gauss Way, Berkeley, CA 94720 USA. [Tseng, C. H.; Chang, H. K.; Yang, C. Y.] Natl Tsing Hua Univ, Inst Astron, Hsinchu, Taiwan. [Jean, P.; von Ballmoos, P.] IRAP Toulouse, 9 Ave Colonel Roche, Toulouse, France. [Amman, M.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA USA. [Lin, C. H.] Acad Sinica, Inst Phys, Taipei, Taiwan. RP Lowell, A (reprint author), Univ Calif Berkeley, Space Sci Lab, 7 Gauss Way, Berkeley, CA 94720 USA. EM alowell@ssl.berkeley.edu 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 978-1-5106-0209-0; 978-1-5106-0210-6 J9 PROC SPIE PY 2016 VL 9915 AR UNSP 99152H DI 10.1117/12.2233145 PN 1 PG 10 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PM UT WOS:000385793400073 ER PT S AU Lu, W O'Connor, P Fried, J Kuczewski, J AF Lu, W. O'Connor, P. Fried, J. Kuczewski, J. BE Holland, AD Beletic, J TI CCD Emulator design for LSST Camera SO HIGH ENERGY, OPTICAL, AND INFRARED DETECTORS FOR ASTRONOMY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on High Energy, Optical, and Infrared Detectors for Astronomy VII CY JUN 26-29, 2016 CL Edinburgh, SCOTLAND SP SPIE DE CCD; Emulator; electronics; LSST AB As part of the LSST project, a comprehensive CCD emulator that operates three CCDs simultaneously has been developed for testing multichannel readout electronics. Based on an Altera Cyclone V FPGA for timing and control, the emulator generates 48 channels of simulated video waveform in response to appropriate sequencing of parallel and serial clocks. Two 256Mb serial memory chips are adopted for storage of arbitrary grayscale images. The arbitrary image or fixed pattern image can be generated from the emulator in triple as three real CCDs perform, for qualifying and testing the LSST 3-stripe Science Raft Electronics Board (REB) simultaneously. Using the method of comparator threshold scanning, all 24 parallel clocks and 24 serial clocks from the REB are qualified for sequence, duration and level before the video signal is generated. In addition, 66 channels of input bias and voltages are sampled through the multi-channel ADC to verify that correct values are applied to the CCD. In addition, either a Gigabit Ethernet connector or USB bus can be used to control and read back from the emulator board. A user-friendly PC software package has been developed for controlling and communicating with the emulator. C1 [Lu, W.; O'Connor, P.; Fried, J.; Kuczewski, J.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Lu, W (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM wlu@bnl.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-5106-0209-0; 978-1-5106-0210-6 J9 PROC SPIE PY 2016 VL 9915 AR UNSP 99152O DI 10.1117/12.2234033 PN 1 PG 8 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PM UT WOS:000385793400080 ER PT S AU O'Connor, P Antilogus, P Doherty, P Haupt, J Herrmann, S Huffer, M Juramy-Giles, C Kuczewski, J Russo, S Stubbs, C Van Berg, R AF O'Connor, P. Antilogus, P. Doherty, P. Haupt, J. Herrmann, S. Huffer, M. Juramy-Giles, C. Kuczewski, J. Russo, S. Stubbs, C. Van Berg, R. BE Holland, AD Beletic, J TI Integrated system tests of the LSST raft tower modules SO HIGH ENERGY, OPTICAL, AND INFRARED DETECTORS FOR ASTRONOMY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on High Energy, Optical, and Infrared Detectors for Astronomy VII CY JUN 26-29, 2016 CL Edinburgh, SCOTLAND SP SPIE DE LSST; CCD; Readout Electronics AB The science focal plane of the LSST camera is made up of 21 fully autonomous 144 Mpixel imager units designated raft tower modules (RTM). These imagers incorporate nine 4K x 4K fully-depleted CCDs and 144 channels of readout electronics, including a dedicated CMOS video processing ASIC and components that provide CCD biasing and clocking, video digitization, thermal stabilization, and a high degree of monitoring and telemetry. The RTM achieves its performance goals for readout speed, read noise, linearity, and crosstalk with a power budget of less than 400 mW/channel. Series production is underway on the first units and the production will run until 2018. We present the RTM final design, tests of the integrated signal chain, and performance results for the fully-integrated module with pre-production CCDs. C1 [O'Connor, P.; Haupt, J.; Kuczewski, J.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Antilogus, P.; Juramy-Giles, C.] LPNHE, Paris, France. [Doherty, P.; Stubbs, C.] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Herrmann, S.; Huffer, M.; Russo, S.] SLAC Natl Lab, Menlo Pk, CA USA. [Van Berg, R.] Univ Penn, Philadelphia, PA 19104 USA. RP O'Connor, P (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM poc@bnl.gov NR 12 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 978-1-5106-0209-0; 978-1-5106-0210-6 J9 PROC SPIE PY 2016 VL 9915 PN 1 PG 12 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PM UT WOS:000385793400030 ER PT S AU Rasmussen, A Guyonnet, A Lage, C Antilogus, P Astier, P Doherty, P Gilmore, K Kotov, I Lupton, R Nomerotski, A O'Connor, P Stubbs, C Tyson, A Walter, C AF Rasmussen, Andrew Guyonnet, Augustin Lage, Craig Antilogus, Pierre Astier, Pierre Doherty, Peter Gilmore, Kirk Kotov, Ivan Lupton, Robert Nomerotski, Andrei O'Connor, Paul Stubbs, Christopher Tyson, Anthony Walter, Christopher BE Holland, AD Beletic, J TI High fidelity point-spread function retrieval in the presence of electrostatic, hysteretic pixel response SO HIGH ENERGY, OPTICAL, AND INFRARED DETECTORS FOR ASTRONOMY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on High Energy, Optical, and Infrared Detectors for Astronomy VII CY JUN 26-29, 2016 CL Edinburgh, SCOTLAND SP SPIE DE CCDs; drift fields; charge collection; flat field statistics; pixel size variation; imaging nonlinearities; brighter-fatter effect; instrument signature removal AB We employ electrostatic conversion drift calculations to match CCD pixel signal covariances observed in flat field exposures acquired using candidate sensor devices for the LSST Camera.1'2 We thus constrain pixel geometry distortions present at the end of integration, based on signal images recorded. We use available data from several operational voltage parameter settings to validate our understanding. Our primary goal is to optimize flux point spread function (FPSF) estimation quantitatively, and thereby minimize sensor-induced errors which may limit performance in precision astronomy applications. We consider alternative compensation scenarios that will take maximum advantage of our understanding of this underlying mechanism in data processing pipelines currently under development. To quantitatively capture the pixel response in high-contrast/high dynamic range operational extrema, we propose herein some straightforward laboratory tests that involve altering the time order of source illumination on sensors, within individual test exposures. Hence the word hysteretic in the title of this paper. C1 [Rasmussen, Andrew; Gilmore, Kirk] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Guyonnet, Augustin; Antilogus, Pierre; Astier, Pierre] UPMC, CNRS, IN2P3, LPHNE, Paris, France. [Lage, Craig; Tyson, Anthony] Univ Calif Davis, Davis, CA 95616 USA. [Doherty, Peter; Stubbs, Christopher] Harvard Univ, Cambridge, MA 02138 USA. [Kotov, Ivan; Nomerotski, Andrei; O'Connor, Paul] Brookhaven Natl Lab, Upton, NY 11973 USA. [Lupton, Robert] Princeton Univ, Princeton, NJ 08544 USA. [Walter, Christopher] Duke Univ, Durham, NC USA. RP Rasmussen, A (reprint author), SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. EM arasmus@slac.stanford.edu 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 978-1-5106-0209-0; 978-1-5106-0210-6 J9 PROC SPIE PY 2016 VL 9915 PN 1 PG 19 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PM UT WOS:000385793400040 ER PT J AU Boehm-Cagan, A Bar, R Liraz, O Bielicki, JK Johansson, JO Michaelson, DM AF Boehm-Cagan, Anat Bar, Roni Liraz, Ori Bielicki, John K. Johansson, Jan O. Michaelson, Daniel M. TI ABCA1 Agonist Reverses the ApoE4-Driven Cognitive and Brain Pathologies SO JOURNAL OF ALZHEIMERS DISEASE LA English DT Article DE ABCA1; Alzheimer's disease; apoE; CS-6253; lipidation; lipids ID TARGETED-REPLACEMENT MICE; APOLIPOPROTEIN-E GENE; E4 TRANSGENIC MICE; ALZHEIMERS-DISEASE; A-BETA; CONTAINING LIPOPROTEINS; MOUSE MODEL; X-RECEPTOR; APOE; CHOLESTEROL AB The allele epsilon 4 of apolipoprotein E (apoE4) is the most prevalent genetic risk factor for Alzheimer's disease (AD) and is therefore a promising therapeutic target. Human and animal model studies suggest that apoE4 is hypolipidated; accordingly, we have previously shown that the retinoid X receptor (RXR) agonist bexarotene upregulates ABCA1, the main apoE-lipidating protein, resulting in increased lipidation of apoE4, and the subsequent reversal of the pathological effects of apoE4, namely: accumulation of A beta(42) and hyperphosphorylated tau, as well as reduction in the levels of synaptic markers and cognitive deficits. Since the RXR system has numerous other targets, it is important to devise the means of activating ABCA1 selectively. We presently utilized CS-6253, a peptide shown to directly activate ABCA1 in vitro, and examined the extent to which it can affect the degree of lipidation of apoE4 in vivo and counteract the associated brain and behavioral pathologies. This revealed that treatment of young apoE4-targeted replacement mice with CS-6253 increases the lipidation of apoE4. This was associated with a reversal of the apoE4-driven A beta(42) accumulation and tau hyperphosphorylation in hippocampal neurons, as well as of the synaptic impairments and cognitive deficits. These findings suggest that the pathological effects of apoE4 in vivo are associated with decreased activation of ABCA1 and impaired lipidation of apoE4 and that the downstream brain-related pathology and cognitive deficits can be counteracted by treatment with the ABCA1 agonist CS-6253. These findings have important clinical ramifications and put forward ABCA1 as a promising target for apoE4-related treatment of AD. C1 [Boehm-Cagan, Anat; Bar, Roni; Liraz, Ori; Michaelson, Daniel M.] Tel Aviv Univ, Sagol Sch Neurosci, Dept Neurobiol, George S Wise Fac Life Sci, Tel Aviv, Israel. [Bielicki, John K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Johansson, Jan O.] Artery Therapeut Inc, San Ramon, CA USA. RP Michaelson, DM (reprint author), Tel Aviv Univ, Dept Neurobiol, George S Wise Fac Life Sci, IL-6997801 Tel Aviv, Israel. EM dmichael@post.tau.ac.il FU Legacy Heritage Bio-Medical Program of the Israel Science Foundation [1575/14]; Joseph K. and Inez Eichenbaum Foundation; Harold and Eleanore Foonberg Foundation; Teva Pharmaceutical Industries, Ltd as part of the Israeli National Network of Excellence in Neuroscience (NNE) FX We thank Alex Smolar for his technical assistance. This research was supported in part by grants from the Legacy Heritage Bio-Medical Program of the Israel Science Foundation (grant No. 1575/14), from the Joseph K. and Inez Eichenbaum Foundation, from the Harold and Eleanore Foonberg Foundation, and from Teva Pharmaceutical Industries, Ltd as part of the Israeli National Network of Excellence in Neuroscience (NNE). DMM is the incumbent of the Myriam Lebach Chair in Molecular Neurodegeneration. NR 52 TC 4 Z9 4 U1 1 U2 1 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 1387-2877 EI 1875-8908 J9 J ALZHEIMERS DIS JI J. Alzheimers Dis. PY 2016 VL 54 IS 3 BP 1219 EP 1233 DI 10.3233/JAD-160467 PG 15 WC Neurosciences SC Neurosciences & Neurology GA DZ2DF UT WOS:000385651800033 PM 27567858 ER PT J AU Liu, FJ Huang, K Ding, SM Dai, S AF Liu, Fujian Huang, Kuan Ding, Shunmin Dai, Sheng TI One-step synthesis of nitrogen-doped graphene-like meso-macroporous carbons as highly efficient and selective adsorbents for CO2 capture SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID GAS-ADSORPTION; CATALYST; FUNCTIONALIZATION; ACTIVATION; NANOSHEETS; OXIDE AB Graphene-like meso-macroporous carbons (GMCs) with high nitrogen contents and controllable nitrogen sites were synthesized by one-step carbonization of dicyandiamide or melamine with glucose. The unique layered structure and the presence of abundant mesomacropores in GMCs largely enhance the degree of exposure and accessibility of anchored nitrogen sites to CO2, which provides the GMCs with excellent performance for the selective capture of CO2. C1 [Liu, Fujian] Shaoxing Univ, Coll Chem & Chem Engn, Shaoxing 312000, Zhejiang, Peoples R China. [Liu, Fujian; Huang, Kuan; Ding, Shunmin; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Huang, K; Dai, S (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.; Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM kuan.huang@yahoo.com; dais@ornl.gov RI Huang, Kuan/F-7003-2015 OI Huang, Kuan/0000-0003-1905-3017 FU Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0012577]; National Natural Science Foundation of China [21573150, 21203122]; Natural Science Foundation of Zhejiang Province [LY15B030002] FX This work was supported as part of the Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award No. DE-SC0012577. F. L. acknowledges the financial support of the National Natural Science Foundation of China (21573150, 21203122) and the Natural Science Foundation of Zhejiang Province (LY15B030002). NR 42 TC 1 Z9 1 U1 18 U2 18 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 2016 VL 4 IS 38 BP 14567 EP 14571 DI 10.1039/c6ta06583j PG 5 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA DY8EB UT WOS:000385360300008 ER PT J AU Kan, YY Liu, C Zhang, LJ Gao, K Liu, F Chen, JW Cao, Y AF Kan, Yuanyuan Liu, Chang Zhang, Lianjie Gao, Ke Liu, Feng Chen, Junwu Cao, Yong TI Solution-processed small molecules with ethynylene bridges for highly efficient organic solar cells SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID POLYMER PHOTOVOLTAIC MATERIALS; PORPHYRIN SMALL-MOLECULE; DIKETOPYRROLOPYRROLE DONOR; DEVICE OPTIMIZATION; NON-FULLERENE; SIDE-CHAINS; PERFORMANCE; BENZODITHIOPHENE; UNIT; TRANSISTORS AB Two acceptor-donor-acceptor (A-D-A) conjugated molecules DPP-E-BDT and DPP-E-BDT-T, using diketopyrrolopyrrole (DPP) as the A-unit, ethynylene bridge flanked benzo-[1,2-b:4,5-b'] dithiophene (E-BDT) as the central D-unit, and different 4,8-substitutions on the BDT were synthesized by Sonogashira coupling reactions for solution-processed organic solar cells (OSCs). The insertion of electron-withdrawing ethynylene bridges (sp hybridization) in the DPP-E-BDT and DPP-E-BDT-T molecules leads to planar and enlarged aromatic skeletons, larger band gaps, and deeper HOMO levels. 4,8-Dithienyl substitution on BDT in DPP-E-BDT-T results in additional conjugation extension to give a slightly smaller band gap compared to the 4,8-dialkoxy substitution in target molecules. Bulk heterojunction solar cells using DPP-E-BDT and DPP-E-BDT-T as the donor materials and fullerene acceptor showed a high open-circuit voltage of 0.89 V and moderate current densities of 10.9 mA cm(-2). Besides, quite high fill factors (73.6%) could be obtained. Power conversion efficiencies (PCE) of 7.12% were obtained for DPP-E-BDT-T blends, which is the highest efficiency among small molecules based on DPP and BDT units. In active layer fabrication, 1,8-diiodooctane (DIO) was used as a solvent additive and subsequent thermal annealing treatment was also employed. We saw that these combined treatments led to balanced hole and electron transports, with values around 1.2 x 10(-4) cm(2) V-1 s(-1) for the active layers. These results demonstrated that ethynylene bridges in small molecule donors are quite useful, both in tuning the electronic structure and in defining the thin film morphology, thus would be a promising method to enhance photovoltaic performances of the resulting materials. C1 [Kan, Yuanyuan; Liu, Chang; Zhang, Lianjie; Gao, Ke; Chen, Junwu; Cao, Yong] South China Univ Technol, State Key Lab Luminescent Mat & Devices, Inst Polymer Optoelect Mat & Devices, Guangzhou 510640, Guangdong, Peoples R China. [Liu, Feng] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Chen, JW (reprint author), South China Univ Technol, State Key Lab Luminescent Mat & Devices, Inst Polymer Optoelect Mat & Devices, Guangzhou 510640, Guangdong, Peoples R China.; Liu, F (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM iamfengliu@gmail.com; psjwchen@scut.edu.cn RI Gao, Ke/B-3412-2017; Liu, Feng/J-4361-2014 OI Liu, Feng/0000-0002-5572-8512 FU National Basic Research Program of China [2013CB834705, 2014CB643505]; National Natural Science Foundation of China [21225418, U1401244]; GDUPS FX We gratefully acknowledge the financial support of the National Basic Research Program of China (973 program 2013CB834705 and 2014CB643505), National Natural Science Foundation of China (21225418 and U1401244), and GDUPS (2013). NR 47 TC 0 Z9 0 U1 20 U2 20 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 2016 VL 4 IS 38 BP 14720 EP 14728 DI 10.1039/c6ta04442e PG 9 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA DY8EB UT WOS:000385360300025 ER PT J AU Oyola-Reynoso, S Tevis, ID Chen, J Chang, BS Cinar, S Bloch, JF Thuo, MM AF Oyola-Reynoso, S. Tevis, I. D. Chen, J. Chang, B. S. Cinar, S. Bloch, J. -F. Thuo, M. M. TI Recruiting physisorbed water in surface polymerization for bio-inspired materials of tunable hydrophobicity SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID SOLUTION-IMMERSION PROCESS; SILANE COUPLING AGENTS; SUPERHYDROPHOBIC COATINGS; WETTING PROPERTIES; COTTON TEXTILES; LOW-COST; CELLULOSE; MONOLAYERS; FABRICATION; PAPER AB Chemical grafting has been widely used to modify the surface properties of materials, especially surface energy for controlled wetting, because of the resilience of such coatings/modifications. Reagents with multiple reactive sites have been used with the expectation that a monolayer will form. The step-growth polymerization mechanism, however, suggests the possibility of gel formation for hydrolyzable moieties in the presence of physisorbed water. In this report, we demonstrated that using alkyltrichlorosilanes (trivalent [i.e., 3 reactive sites]) in the surface modification of a cellulosic material (paper) does not yield a monolayer but rather gives surface-bound particles. We infer that the presence of physisorbed (surface-bound) water allows for polymerization (or oligomerization) of the silane prior to its attachment on the surface. Surface energy mismatch between the hydrophobic tails of the growing polymer and any unreacted bound water leads to the assembly of the polymerizing material into spherical particles to minimize surface tension. By varying paper grammage (16.2-201.4 g m(-2)), we varied the accessible surface area and thus the amount of surface-adsorbed water, allowing us to control the ratio of the silane to the bound water. Using this approach, polymeric particles were formed on the surface of cellulose fibers ranging from similar to 70 nm to a film. The hydrophobicity of the surface, as determined by water contact angles, correlates with particle sizes (p < 0.001, Student's t-test), and, hence, the hydrophobicity can be tuned (contact angle between 94 degrees and 149 degrees). Using a model structure of a house, we demonstrated that as a result of this modification, paper-based houses can be rendered self-cleaning or tolerant to surface running water. In another application, we demonstrated that the felicitous choice of architectural design allows for the hydrophobic paper to be used for water harvesting. C1 [Oyola-Reynoso, S.; Tevis, I. D.; Chen, J.; Chang, B. S.; Cinar, S.; Thuo, M. M.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Bloch, J. -F.] Univ Grenoble, 461 Rue Papeterie, F-38402 St Martin Dheres, France. [Thuo, M. M.] Iowa State Univ, Biopolymer & Biocomposites Res Team, Ctr Bioplast & Biocomposites, Ames, IA 50011 USA. [Chen, J.; Thuo, M. M.] Iowa State Univ, Microelect Res Ctr, 133 Appl Sci Complex 1,1925 Scholl Rd, Ames, IA 50011 USA. [Chen, J.; Chang, B. S.; Thuo, M. M.] Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. RP Thuo, MM (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.; Thuo, MM (reprint author), Iowa State Univ, Biopolymer & Biocomposites Res Team, Ctr Bioplast & Biocomposites, Ames, IA 50011 USA.; Thuo, MM (reprint author), Iowa State Univ, Microelect Res Ctr, 133 Appl Sci Complex 1,1925 Scholl Rd, Ames, IA 50011 USA.; Thuo, MM (reprint author), Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. EM mthuo@iastate.edu OI Cinar, Simge/0000-0003-3098-2888 FU Iowa State University; 'Black and Veatch building a world of difference' faculty fellowship; GMAP fellowship from Iowa State University; Catron fellowship from the Catron Solar Energy Center; U.S. department of Energy through Ames Lab; National Science Foundation under NSF [ECS-0335765] FX This work was supported by the Iowa State University through start-up funds. MT acknowledges support from a 'Black and Veatch building a world of difference' faculty fellowship, SO-R was partially supported by a GMAP fellowship from Iowa State University, JC was supported in part by a Catron fellowship from the Catron Solar Energy Center and BC was supported in part by the U.S. department of Energy through Ames Lab. We thank Leslie Forehand, Shelby Doyle and their studio design class for help in fabricating the paper structures. This work was carried out in part at the Center for Nanoscale Systems (CNS), a member of the National Nanotechnology Infrastructure Network (NNIN), which is supported by the National Science Foundation under NSF award no. ECS-0335765. CNS is part of Harvard University. NR 66 TC 2 Z9 2 U1 9 U2 9 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 2016 VL 4 IS 38 BP 14729 EP 14738 DI 10.1039/c6ta06446a PG 10 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA DY8EB UT WOS:000385360300026 ER PT J AU Mok, JW Kipp, D Hasbun, LR Dolocan, A Strzalka, J Ganesan, V Verduzco, R AF Mok, Jorge W. Kipp, Dylan Hasbun, Luis R. Dolocan, Andrei Strzalka, Joseph Ganesan, Venkat Verduzco, Rafael TI Parallel bulk heterojunction photovoltaics based on all-conjugated block copolymer additives SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID POLYMER SOLAR-CELLS; POWER CONVERSION EFFICIENCY; SPECTROMETRY TOF-SIMS; OPEN-CIRCUIT VOLTAGE; ORGANIC PHOTOVOLTAICS; ROD-COIL; MOLECULAR DESIGN; PERFORMANCE; MORPHOLOGY; COMPATIBILIZERS AB In recent studies, we demonstrated that the addition of block copolymers to binary donor-acceptor blends represents an effective approach to target equilibrium, co-continuous morphologies of interpenetrating donors and acceptors. Here, we report a study of the impact of all-conjugated poly(thieno[3,4-b]-thiophene-co-benzodithiophene)-b-polynaphthalene diimide (PTB7-b-PNDI) block copolymer additives on the electronic properties and photovoltaic performance of bulk heterojunction organic photovoltaic active layers comprised of a PTB7 donor and a phenyl-C-61-butyric acid methyl ester (PCBM61) acceptor. We find that small amounts of BCP additives lead to improved performance due to a large increase in the device open-circuit voltage (V-OC), and the V-OC is pinned to this higher value for higher BCP additive loadings. Such results contrast prior studies of ternary blend OPVs where either a continuous change in V-OC or a value of V-OC pinned to the lowest value is observed. We hypothesize and provide evidence in the form of device and morphology analyses that the impact of V-OC is likely due to the formation of a parallel bulk heterojunction made up of isolated PCBM and PNDI acceptor domains separated by intermediate PTB7 donor domains. Altogether, this work demonstrates that all-conjugated block copolymers can be utilized as additives to both dictate morphology and modulate the electronic properties of the active layer. C1 [Mok, Jorge W.; Hasbun, Luis R.; Verduzco, Rafael] Rice Univ, Dept Chem & Biomol Engn, Houston, TX 77005 USA. [Kipp, Dylan; Ganesan, Venkat] Univ Texas Austin, Dept Chem Engn, Austin, TX 78712 USA. [Dolocan, Andrei] Univ Texas Austin, Dept Mat Sci, Austin, TX 78712 USA. [Dolocan, Andrei] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. [Strzalka, Joseph] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. [Verduzco, Rafael] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA. RP Verduzco, R (reprint author), Rice Univ, Dept Chem & Biomol Engn, Houston, TX 77005 USA.; Ganesan, V (reprint author), Univ Texas Austin, Dept Chem Engn, Austin, TX 78712 USA.; Verduzco, R (reprint author), Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA. EM venkat@che.utexas.edu; rafaelv@rice.edu FU National Science Foundation [CBET-1264703, DMR-1352099, CBET-1264583]; Welch Foundation for Chemical Research [C-1888]; Robert A. Welch Foundation [F1599]; US Army Research Office [W911NF-13-1-0396]; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]; NSF MRI grant [DMR-0923096] FX J. W. M., L. R. H., and R. V. acknowledge the support of the National Science Foundation (CBET-1264703 and DMR-1352099) and the Welch Foundation for Chemical Research (C-1888) for support of this research. V. G. and D. K. acknowledge support in part by grants from the Robert A. Welch Foundation (Grant F1599), the National Science Foundation (CBET-1264583), and the US Army Research Office (W911NF-13-1-0396). We acknowledge Kruss for providing support and access to DSA 100 for contact angle measurements. 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. We acknowledge the NSF MRI grant DMR-0923096 for access to TOF-SIMS instrument at the Texas Materials Institute at the University of Texas at Austin. NR 54 TC 2 Z9 2 U1 4 U2 4 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 2016 VL 4 IS 38 BP 14804 EP 14813 DI 10.1039/c6ta06502c PG 10 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA DY8EB UT WOS:000385360300034 ER PT S AU Elwood, J Ohodnicki, PR AF Elwood, Jacqueline Ohodnicki, Paul R., Jr. BE George, T Dutta, AK Islam, MS TI The Effect of Ionic Species on pH Dependent Response of Silica Coated Optical Fibers SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications VIII CY APR 17-21, 2016 CL Baltimore, MD SP SPIE DE Optical fiber; sensors; pH; gold nanoparticles; harsh environment; environmental sensing; geochemical environments ID CHEMICAL SENSOR; ADSORPTION; CHARGE; SIZE AB Optical fiber pH sensors functionalized with a gold nanoparticle (AuNP)/porous silica film were developed. The transmission of light through the fiber is affected by the change in the refractive index of the porous silica-based nanocomposite coated film as ionic species are concentrated into the coating film when the silica surface becomes negatively charged with increasing pH. To investigate the dependence of the response on the ionic species in solution, we report the optical response of Au/silica film coated fibers in a variety of salt solutions. The response is indeed sensitive to different ionic species in solution. The details of the response are likely also sensitive to the microstructure of the porous silica-based sensing layer. C1 [Elwood, Jacqueline; Ohodnicki, Paul R., Jr.] US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. RP Elwood, J (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. NR 21 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 978-1-5106-0077-5 J9 PROC SPIE PY 2016 VL 9836 AR UNSP 98360I DI 10.1117/12.2224959 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BF9OX UT WOS:000385791900012 ER PT S AU Myers, TL Cannon, BD Brauer, CS Phillips, MC Taubman, MS Bernacki, BE AF Myers, Tanya L. Cannon, Bret D. Brauer, Carolyn S. Phillips, Mark C. Taubman, Matthew S. Bernacki, Bruce E. BE George, T Dutta, AK Islam, MS TI Long-term Operational Testing of Quantum Cascade Lasers SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Micro- and Nanotechnology Sensors, Systems, and Applications VIII CY APR 17-21, 2016 CL Baltimore, MD SP SPIE DE Quantum cascade lasers; laser-based sensors; power stability; spectral stability; lifetime ID CONTINUOUS-WAVE AB In this paper, we present the results of long-term operational testing of several quantum cascade laser (QCL) variants to illustrate their robustness and long lifetimes. Performance factors are investigated including power and spectral stability over different timescales ranging from days to years. The effects of burn-in, packaging, mounting, and facet coatings are considered with respect to their influence on long-term laser performance. In addition, the results from the several years' operation of a custom external cavity quantum cascade laser-based trace gas sensor are presented to highlight the reliable performance of QCL-based sensor systems. This sensor monitored the laboratory air for multiple chemicals and operated continuously for two years without any evidence of degradation in performance. The data from all of these experiments will be discussed to demonstrate the reliability and robust performance of QCLs. C1 [Myers, Tanya L.; Cannon, Bret D.; Brauer, Carolyn S.; Phillips, Mark C.; Taubman, Matthew S.; Bernacki, Bruce E.] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. RP Myers, TL (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. EM Tanya.Myers@pnnl.gov NR 18 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 978-1-5106-0077-5 J9 PROC SPIE PY 2016 VL 9836 AR UNSP 98362J DI 10.1117/12.2223129 PG 11 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA BF9OX UT WOS:000385791900052 ER PT S AU Bender, AN Ade, PAR Andersond, AJ Avva, J Ahmed, Z Arnold, K Austermann, JE Thakur, RB Benson, BA Bleem, LE Byrum, K Carlstrom, JE Carter, FW Chang, CL Cho, HM Cliche, JF Crawford, TM Cukierman, A Czaplewski, D Ding, J Divan, R de Haan, T Dobbs, MA Dutcher, D Everett, W Gilbert, A Groh, JC Guyser, R Halverson, NW Harke-Hosemann, A Harrington, NL Hattori, K Henning, JW Hilton, GC Holzapfel, WL Huang, N Irwin, KD Jeong, O Khaire, T Korman, M Kubik, D Kuo, CL Lee, AT Leitch, EM Lendinez, S Meyer, SS Miller, CS Montgomery, J Nadolski, A Natoli, T Nguyen, H Noyosad, V Padin, S Pan, Z Pearson, J Posada, CM Rahlin, A Reichardt, CL Ruhl, JE Saliwanchik, BR Sayre, JT Shariff, JA Shirley, I Shirokoff, E Smecher, G Sobrin, J Stan, L Stark, AA Story, K Suzuki, A Tang, QY Thompson, KL Tucker, C Vanderlinde, K Vieira, JD Wang, G Whitehorn, N Yefremenko, V Yoon, KW AF Bender, A. N. Ade, P. A. R. Andersond, A. J. Avva, J. Ahmed, Z. Arnold, K. Austermann, J. E. Thakur, R. Basu Benson, B. A. Bleem, L. E. Byrum, K. Carlstrom, J. E. Carter, F. W. Chang, C. L. Cho, H. M. Cliche, J. F. Crawford, T. M. Cukierman, A. Czaplewski, D. Ding, J. Divan, R. de Haan, T. Dobbs, M. A. Dutcher, D. Everett, W. Gilbert, A. Groh, J. C. Guyser, R. Halverson, N. W. Harke-Hosemann, A. Harrington, N. L. Hattori, K. Henning, J. W. Hilton, G. C. Holzapfel, W. L. Huang, N. Irwin, K. D. Jeong, O. Khaire, T. Korman, M. Kubik, D. Kuo, C. L. Lee, A. T. Leitch, E. M. Lendinez, S. Meyer, S. S. Miller, C. S. Montgomery, J. Nadolski, A. Natoli, T. Nguyen, H. Noyosad, V. Padin, S. Pan, Z. Pearson, J. Posada, C. M. Rahlin, A. Reichardt, C. L. Ruhl, J. E. Saliwanchik, B. R. Sayre, J. T. Shariff, J. A. Shirley, I. Shirokoff, E. Smecher, G. Sobrin, J. Stan, L. Stark, A. A. Story, K. Suzuki, A. Tang, Q. Y. Thompson, K. L. Tucker, C. Vanderlinde, K. Vieira, J. D. Wang, G. Whitehorn, N. Yefremenko, V. Yoon, K. W. BE Holland, WS Zmuidzinas, J TI Integrated Performance of a Frequency Domain Multiplexing Readout in the SPT-3G Receiver SO MILLIMETER, SUBMILLIMETER, AND FAR-INFRARED DETECTORS AND INSTRUMENTATION FOR ASTRONOMY VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Millimeter, Submillimeter, and Far-Infrared Detectors and Instrumentation for Astronomy VIII CY JUN 28-JUL 01, 2016 CL Edinburgh, SCOTLAND SP SPIE ID QUANTUM INTERFERENCE DEVICE; ARRAYS AB The third generation receiver for the South Pole Telescope, SPT-3G, will make extremely deep, arcminute-resolution maps of the temperature and polarization of the cosmic microwave background. The SPT-3G maps will enable studies of the B-mode polarization signature, constraining primordial gravitational waves as well as the effect of massive neutrinos on structure formation in the late universe. The SPT-3G receiver will achieve exceptional sensitivity through a focal plane of similar to 16,000 transition-edge sensor bolometers, an order of magnitude more than the current SPTpol receiver. SPT-3G uses a frequency domain multiplexing (fMux) scheme to read out the focal plane, combining the signals from 64 bolometers onto a single pair of wires. The fMux readout facilitates the large number of detectors in the SPT-3G focal plane by limiting the thermal load due to readout wiring on the 250 millikelvin cryogenic stage. A second advantage of the fMux system is that the operation of each bolometer can be optimized. In addition to these benefits, the fMux readout introduces new challenges into the design and operation of the receiver. The bolometers are operated at a range of frequencies up to 5 MHz, requiring control of stray reactances over a large bandwidth. Additionally, crosstalk between multiplexed detectors will inject large false signals into the data if not adequately mitigated. SPT-3G is scheduled to deploy to the South Pole Telescope in late 2016. Here, we present the pre-deployment performance of the fMux readout system with the SPT-3G focal plane. C1 [Bender, A. N.; Bleem, L. E.; Byrum, K.; Carlstrom, J. E.; Carter, F. W.; Chang, C. L.; Yefremenko, V.] Argonne Natl Lab, Div High Energy Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. [Bender, A. N.; Andersond, A. J.; Thakur, R. Basu; Benson, B. A.; Bleem, L. E.; Carter, F. W.; Chang, C. L.; Crawford, T. M.; Dutcher, D.; Henning, J. W.; Meyer, S. S.; Padin, S.; Pan, Z.; Shirokoff, E.; Sobrin, J.; Tang, Q. Y.] Univ Chicago, Kavli Inst Cosmol Phys, 5640 South Ellis Ave, Chicago, IL 60637 USA. [Ade, P. A. R.; Tucker, C.] Cardiff Univ, Sch Phys & Astron, Cardiff CF24 3YB, S Glam, Wales. [Andersond, A. J.; Benson, B. A.; Nguyen, H.; Rahlin, A.] Fermilab Natl Accelerator Lab, MS209,POB 500, Batavia, IL 60510 USA. [Avva, J.; Cukierman, A.; de Haan, T.; Groh, J. C.; Harrington, N. L.; Holzapfel, W. L.; Huang, N.; Jeong, O.; Lee, A. T.; Shirley, I.; Suzuki, A.; Whitehorn, N.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ahmed, Z.; Irwin, K. D.; Kuo, C. L.; Story, K.; Thompson, K. L.; Yoon, K. W.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, 452 Lomita Mall, Stanford, CA 94305 USA. [Ahmed, Z.; Irwin, K. D.; Kuo, C. L.; Story, K.; Thompson, K. L.; Yoon, K. W.] Stanford Univ, Dept Phys, 382 Via Pueblo Mall, Stanford, CA 94305 USA. [Ahmed, Z.; Irwin, K. D.; Kuo, C. L.; Thompson, K. L.; Yoon, K. W.] SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. [Arnold, K.] Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. [Austermann, J. E.; Hilton, G. C.] NIST Quantum Devices Grp, 325 Broadway Mailcode 817-03, Boulder, CO 80305 USA. [Benson, B. A.; Carlstrom, J. E.; Chang, C. L.; Crawford, T. M.; Leitch, E. M.; Meyer, S. S.; Shirokoff, E.; Tang, Q. Y.] Univ Chicago, Dept Astron & Astrophys, 5640 South Ellis Ave, Chicago, IL 60637 USA. [Carlstrom, J. E.; Meyer, S. S.] Univ Chicago, Enrico Fermi Inst, 5640 South Ellis Ave, Chicago, IL 60637 USA. [Carlstrom, J. E.; Dutcher, D.; Meyer, S. S.; Sobrin, J.] Univ Chicago, Dept Phys, 5640 South Ellis Ave, Chicago, IL 60637 USA. [Cliche, J. F.; Dobbs, M. A.; Gilbert, A.; Montgomery, J.] McGill Univ, Dept Phys, 3600 Rue Univ, Montreal, PQ H3A 2T8, Canada. [Czaplewski, D.; Divan, R.; Miller, C. S.; Stan, L.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. [Ding, J.; Lendinez, S.; Noyosad, V.; Pearson, J.; Posada, C. M.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Dobbs, M. A.] Canadian Inst Adv Res, CIFAR Program Cosmol & Grav, Toronto, ON M5G 1Z8, Canada. [Everett, W.; Halverson, N. W.] Univ Colorado, Dept Astrophys & Planetary Sci, CASA, Boulder, CO 80309 USA. [Guyser, R.; Harke-Hosemann, A.; Nadolski, A.; Vieira, J. D.] Univ Illinois, Astron Dept, 1002 W Green St, Urbana, IL 61801 USA. [Halverson, N. W.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Hattori, K.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Korman, M.; Ruhl, J. E.; Saliwanchik, B. R.; Shariff, J. A.] Univ Calif Davis, Dept Phys, One Shields Ave, Davis, CA 95616 USA. [Lee, A. T.] Lawrence Berkeley Natl Lab, Phys Div, Berkeley, CA 94720 USA. [Vanderlinde, K.] Univ Toronto, Dept Astron & Astrophys, 50 St George St, Toronto, ON M5S 3H4, Canada. [Reichardt, C. L.] Univ Melbourne, Sch Phys, Parkville, Vic 3010, Australia. [Smecher, G.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Stark, A. A.] Three Speed Log Inc, Vancouver, BC V6A 2J8, Canada. [Natoli, T.] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. [Vieira, J. D.] Univ Toronto, Dunlap Inst Astron & Astrophys, 50 St George St, Toronto, ON M5S 3H4, Canada. Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. RP Bender, AN (reprint author), Argonne Natl Lab, Div High Energy Phys, 9700 S Cass Ave, Argonne, IL 60439 USA.; Bender, AN (reprint author), Univ Chicago, Kavli Inst Cosmol Phys, 5640 South Ellis Ave, Chicago, IL 60637 USA. EM abender@anl.gov RI Novosad, V /J-4843-2015; DING, Junjia/K-2277-2013; OI DING, Junjia/0000-0002-9917-9156; Stark, Antony/0000-0002-2718-9996; Tucker, Carole/0000-0002-1851-3918 NR 13 TC 1 Z9 1 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 978-1-5106-0207-6; 978-1-5106-0208-3 J9 PROC SPIE PY 2016 VL 9914 AR UNSP 99141D DI 10.1117/12.2232146 PN 1 PG 11 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PQ UT WOS:000385793800032 ER PT S AU Hill, CA Beckman, S Chinone, Y Goeckner-Wald, N Hazumi, M Keating, B Kusaka, A Lee, AT Matsuda, F Plambeck, R Suzuki, A Takakura, S AF Hill, Charles A. Beckman, Shawn Chinone, Yuji Goeckner-Wald, Neil Hazumi, Masashi Keating, Brian Kusaka, Akito Lee, Adrian T. Matsuda, Frederick Plambeck, Richard Suzuki, Aritoki Takakura, Satoru BE Holland, WS Zmuidzinas, J TI Design and development of an ambient-temperature continuously-rotating achromatic half-wave plate for CMB polarization modulation on the POLARBEAR-2 experiment SO MILLIMETER, SUBMILLIMETER, AND FAR-INFRARED DETECTORS AND INSTRUMENTATION FOR ASTRONOMY VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Millimeter, Submillimeter, and Far-Infrared Detectors and Instrumentation for Astronomy VIII CY JUN 28-JUL 01, 2016 CL Edinburgh, SCOTLAND SP SPIE DE Half-wave plate; sapphire; POLARBEAR-2; PB2; Simons Array; polarization; modulation; rotation; inflation; B-mode ID MICROWAVE BACKGROUND POLARIZATION; INFLATIONARY UNIVERSE; GRAVITY-WAVES; ASTRONOMY; FLATNESS; HORIZON; PHYSICS AB We describe the development of an ambient-temperature continuously-rotating half-wave plate (HWP) for study of the Cosmic Microwave Background (CMB) polarization by the POLARBEAR-2 (PB2) experiment. Rapid polarization modulation suppresses 1/f noise due to unpolarized atmospheric turbulence and improves sensitivity to degree-angular-scale CMB fluctuations where the inflationary gravitational wave signal is thought to exist. A HWP modulator rotates the input polarization signal and therefore allows a single polarimeter to measure both linear polarization states, eliminating systematic errors associated with differencing of orthogonal detectors. PB2 projects a 365-mm-diameter focal plane of 7,588 dichroic, 95/150 GHz transition-edge-sensor bolometers onto a 4-degree field of view that scans the sky at similar to 1 degree per second. We find that a 500-mm-diameter ambient-temperature sapphire achromatic HWP rotating at 2 Hz is a suitable polarization modulator for PB2. We present the design considerations for the PB2 HWP, the construction of the HWP optical stack and rotation mechanism, and the performance of the fully-assembled HWP instrument. We conclude with a discussion of HWP polarization modulation for future Simons Array receivers. C1 [Hill, Charles A.; Beckman, Shawn; Chinone, Yuji; Goeckner-Wald, Neil; Lee, Adrian T.; Suzuki, Aritoki] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Hill, Charles A.; Kusaka, Akito; Lee, Adrian T.] Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Chinone, Yuji; Hazumi, Masashi] Univ Tokyo, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan. [Hazumi, Masashi; Takakura, Satoru] High Energy Accelerator Res Org KEK, IPNS, Tsukuba, Ibaraki 3050801, Japan. [Hazumi, Masashi] SOKENDAI Grad Univ Adv Studies, Hayama, Kanagawa 2400193, Japan. [Hazumi, Masashi] Japan Aerosp Explorat Agcy JAXA, ISAS, Sagamihara, Kanagawa 2525210, Japan. [Keating, Brian; Matsuda, Frederick] Univ Calif San Diego, Dept Phys, San Diego, CA 92093 USA. [Lee, Adrian T.; Plambeck, Richard; Suzuki, Aritoki] Univ Calif Berkeley, Radio Astron Lab, Berkeley, CA 94720 USA. [Takakura, Satoru] Osaka Univ, Dept Earth & Space Sci, Toyonaka, Osaka 5600043, Japan. RP Hill, CA (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Hill, CA (reprint author), Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. EM chill@lbl.gov; s.beckman@berkeley.edu OI Chinone, Yuji/0000-0002-3266-857X NR 47 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 978-1-5106-0207-6; 978-1-5106-0208-3 J9 PROC SPIE PY 2016 VL 9914 AR UNSP 99142U DI 10.1117/12.2232280 PN 1 PG 18 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PQ UT WOS:000385793800070 ER PT S AU Inoue, Y Ade, P Akiba, Y Aleman, C Arnold, K Baccigalupi, C Barch, B Barron, D Bender, A Boettger, D Borrill, J Chapman, S Chinone, Y Cukierman, A de Haan, T Dobbs, MA Ducout, A Dunner, R Elleflot, T Errard, J Fabbian, G Feeney, S Feng, C Fuller, G Gilbert, AJ Goeckner-Wald, N Groh, J Hall, G Halverson, N Hamada, T Hasegawab, M Hattori, K Hazumi, M Hill, C Holzapfel, WL Hori, Y Howe, L Irie, F Jaehnig, G Jaffe, A Jeong, O Katayama, N Kaufman, JP Kazemzadeh, K Keating, BG Kermish, Z Keskital, R Kisner, T Kusaka, A Le Jeune, M Lee, AT Leon, D Linder, EV Lowry, L Matsuda, F Matsumura, T Miller, N Mizukami, K Montgomery, J Navaroli, M Nishino, H Paare, H Peloton, J Poletti, D Puglisi, G Raum, CR Rebeiz, GM Reichardt, CL Richards, PL Ross, C Rotermund, KM Segawa, Y Sherwin, BD Shirley, I Siritanasak, P Stebor, N Stompor, R Suzuki, A Tajima, O Takada, S Takatori, S Teply, GP Tikhomirov, A Tomaru, T Whitehorn, N Zahn, A Zahn, O AF Inoue, Y. Ade, P. Akiba, Y. Aleman, C. Arnold, K. Baccigalupi, C. Barch, B. Barron, D. Bender, A. Boettger, D. Borrill, J. Chapman, S. Chinone, Y. Cukierman, A. de Haan, T. Dobbs, M. A. Ducout, A. Dunner, R. Elleflot, T. Errard, J. Fabbian, G. Feeney, S. Feng, C. Fuller, G. Gilbert, A. J. Goeckner-Wald, N. Groh, J. Hall, G. Halverson, N. Hamada, T. Hasegawab, M. Hattori, K. Hazumi, M. Hill, C. Holzapfel, W. L. Hori, Y. Howe, L. Irie, F. Jaehnig, G. Jaffe, A. Jeong, O. Katayama, N. Kaufman, J. P. Kazemzadeh, K. Keating, B. G. Kermish, Z. Keskital, R. Kisner, T. Kusaka, A. Le Jeune, M. Lee, A. T. Leon, D. Linder, E. V. Lowry, L. Matsuda, F. Matsumura, T. Miller, N. Mizukami, K. Montgomery, J. Navaroli, M. Nishino, H. Paare, H. Peloton, J. Poletti, D. Puglisi, G. Raum, C. R. Rebeiz, G. M. Reichardt, C. L. Richards, P. L. Ross, C. Rotermund, K. M. Segawa, Y. Sherwin, B. D. Shirley, I. Siritanasak, P. Stebor, N. Stompor, R. Suzuki, A. Tajima, O. Takada, S. Takatori, S. Teply, G. P. Tikhomirov, A. Tomaru, T. Whitehorn, N. Zahn, A. Zahn, O. BE Holland, WS Zmuidzinas, J TI POLARBEAR-2: an instrument for CMB polarization measurements SO MILLIMETER, SUBMILLIMETER, AND FAR-INFRARED DETECTORS AND INSTRUMENTATION FOR ASTRONOMY VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Millimeter, Submillimeter, and Far-Infrared Detectors and Instrumentation for Astronomy VIII CY JUN 28-JUL 01, 2016 CL Edinburgh, SCOTLAND SP SPIE DE Cosmic Microwave Background; IR filter; POLARBEAR-2; Polarization; Bolometer; Gravitational Wave; millimeter wave ID TRANSITION; UNIVERSE AB POLARBEAR-2 (PB-2) is a cosmic microwave background (CMB) polarization experiment that will be located in the Atacama highland in Chile at an altitude of 5200 m. Its science goals are to measure the CMB polarization signals originating from both primordial gravitational waves and weak lensing. PB-2 is designed to measure the tensor to scalar ratio, r, with precision sigma(r) < 0.01, and the sum of neutrino masses, Sigma m(nu), with sigma(Sigma m(nu)) < 90 meV. To achieve these goals, PB-2 will employ 7588 transition-edge sensor bolometers at 95 GHz and 150 GHz, which will be operated at the base temperature of 250 mK. Science observations will begin in 2017. C1 [Inoue, Y.; Kazemzadeh, K.] Acad Sinica, Inst Phys, Taipei, Taiwan. [Inoue, Y.; Hamada, T.; Hasegawab, M.; Hattori, K.; Hazumi, M.; Nishino, H.; Tajima, O.; Tomaru, T.] High Energy Accelerator Res Org, Tsukuba, Ibaraki, Japan. [Ade, P.; Aleman, C.; Fuller, G.] Cardiff Univ, Sch Phys & Astron, Cardiff CF10 3XQ, S Glam, Wales. [Akiba, Y.; Hasegawab, M.; Hazumi, M.; Segawa, Y.; Tajima, O.; Takatori, S.] SOKENDAI, Grad Inst Adv Studies, Miura, Kanagawa 2400115, Japan. [Elleflot, T.; Howe, L.; Kaufman, J. P.; Keating, B. G.; Leon, D.; Lowry, L.; Matsuda, F.; Navaroli, M.; Siritanasak, P.; Stebor, N.; Teply, G. P.; Zahn, A.] Univ Calif San Diego, Ctr Astrophys & Space Sci, San Diego, CA 92093 USA. [Arnold, K.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Baccigalupi, C.; Fabbian, G.; Puglisi, G.] SISSA, Via Bonomea 265, I-34136 Trieste, Italy. [Barch, B.; Barron, D.; Chinone, Y.; Cukierman, A.; de Haan, T.; Goeckner-Wald, N.; Groh, J.; Hall, G.; Hill, C.; Holzapfel, W. L.; Hori, Y.; Jeong, O.; Keskital, R.; Lee, A. T.; Raum, C. R.; Richards, P. L.; Sherwin, B. D.; Shirley, I.; Suzuki, A.; Whitehorn, N.; Zahn, O.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bender, A.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Boettger, D.; Dunner, R.] Pontificia Univ Catolica Chile, Dept Astron, Santiago, Chile. [Borrill, J.; Keskital, R.; Kisner, T.; Kusaka, A.; Lee, A. T.; Linder, E. V.] Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Chapman, S.; Ross, C.; Rotermund, K. M.; Tikhomirov, A.] Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS B3H 4R2, Canada. [Dobbs, M. A.; Gilbert, A. J.; Montgomery, J.] McGill Univ, Dept Phys, Montreal, PQ H3A 0G4, Canada. [Ducout, A.; Feeney, S.; Jaffe, A.] Imperial Coll London, Dept Phys, Blackett Lab, London SW7 2AZ, England. [Errard, J.] Sorbonne Univ, ILP, F-75014 Paris, France. [Feng, C.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Halverson, N.; Jaehnig, G.] Univ Colorado, Ctr Astrophys & Space Astron, Boulder, CO 80309 USA. [Hazumi, M.; Irie, F.; Katayama, N.; Mizukami, K.] Univ Tokyo, UTIAS, Kavli IPMU WPI, Kashiwa, Chiba 2778583, Japan. [Irie, F.; Katayama, N.; Mizukami, K.] Yokohama Natl Univ, Yokohama, Kanagawa, Japan. [Kermish, Z.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Le Jeune, M.; Peloton, J.; Poletti, D.; Stompor, R.] Univ Paris Diderot, AstroParticule & Cosmol, CNRS IN2P3, CEA Irfu,Obs Paris,Sorbonne Paris Cite, Paris, France. [Matsumura, T.] Japanese Aerosp Explorat Agcy JAXA, ISAS, Sahamihara, Kanagawa 252510, Japan. [Miller, N.] NASA, Goddard Space Flight Ctr, Observat Cosmol Lab, Code 665, Greenbelt, MD 20771 USA. [Takada, S.] Natl Inst Fus Sci, 322-6 Oroshi Cho, Toki, Gifu, Japan. [Borrill, J.; Kisner, T.; Reichardt, C. L.; Suzuki, A.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Bender, A.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Halverson, N.] Univ Colorado, Dept Astrophys & Planetary Sci, Boulder, CO 80309 USA. [Aleman, C.; Elleflot, T.; Fuller, G.; Howe, L.; Kaufman, J. P.; Kazemzadeh, K.; Keating, B. G.; Leon, D.; Lowry, L.; Matsuda, F.; Navaroli, M.; Paare, H.; Rebeiz, G. M.; Siritanasak, P.; Stebor, N.; Teply, G. P.] Univ Calif San Diego, Dept Elect & Comp Engn, San Diego, CA 92093 USA. [Halverson, N.; Jaehnig, G.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Sherwin, B. D.] Univ Calif Berkeley, Miller Inst Basic Res Sci, Berkeley, CA 94720 USA. RP Inoue, Y (reprint author), Acad Sinica, Inst Phys, Taipei, Taiwan.; Inoue, Y (reprint author), High Energy Accelerator Res Org, Tsukuba, Ibaraki, Japan. OI Chinone, Yuji/0000-0002-3266-857X NR 23 TC 1 Z9 1 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 978-1-5106-0207-6; 978-1-5106-0208-3 J9 PROC SPIE PY 2016 VL 9914 AR UNSP 99141I DI 10.1117/12.2231961 PN 1 PG 9 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PQ UT WOS:000385793800036 ER PT S AU Posada, CM Ade, PAR Anderson, AJ Avva, J Ahmed, Z Arnold, KS Austermann, J Bender, AN Benson, BA Bleem, L Byrum, K Carlstrom, JE Carter, FW Chang, CL Cho, HM Cukierman, A Czaplewski, DA Ding, JJ Divan, RNS de Haan, T Dobbs, M Dutcher, D Everett, W Gannon, RN Guyser, RJ Halverson, NW Harrington, NL Hattori, K Henning, JW Hilton, GC Holzapfel, WL Huang, N Irwin, KD Jeong, O Khaire, T Korman, M Kubik, DL Kuo, CL Lee, AT Leitch, EM Escudero, SL Meyer, SS Miller, CS Montgomery, J Nadolski, A Natoli, TJ Nguyenm, H Novosad, V Padin, S Pan, ZD Pearson, JE Rahlin, A Reichardt, CL Ruhl, JE Saliwanchik, B Shirley, I Sayre, JT Shariff, JA Shirokoff, ED Stan, L Stark, AA Sobrin, J Story, K Suzuki, A Tang, QY Thakur, RB Thompson, KL Tucker, CE Vanderlinde, K Vieira, JD Wang, GS Whitehorn, N Yefremenko, V Yoon, KW AF Posada, Chrystian M. Ade, Peter A. R. Anderson, Adam J. Avva, Jessica Ahmed, Zeeshan Arnold, Kam S. Austermann, Jason Bender, Amy N. Benson, Bradford A. Bleem, Lindsey Byrum, Karen Carlstrom, John E. Carter, Faustin W. Chang, Clarence L. Cho, Hsiao-Mei Cukierman, Ari Czaplewski, David A. Ding, Junjia Divan, Ralu N. S. de Haan, Tijmen Dobbs, Matt Dutcher, Daniel Everett, Wendeline Gannon, Renae N. Guyser, Robert J. Halverson, Nils W. Harrington, Nicholas L. Hattori, Kaori Henning, Jason W. Hilton, Gene C. Holzapfel, William L. Huang, Nicholas Irwin, Kent D. Jeong, Oliver Khaire, Trupti Korman, Milo Kubik, Donna L. Kuo, Chao-Lin Lee, Adrian T. Leitch, Erik M. Escudero, Sergi Lendinez Meyer, Stephan S. Miller, Christina S. Montgomery, Joshua Nadolski, Andrew Natoli, Tyler J. Nguyenm, Hogan Novosad, Valentyn Padin, Stephen Pan, Zhaodi Pearson, John E. Rahlin, Alexandra Reichardt, Christian L. Ruhl, John E. Saliwanchik, Benjamin Shirley, Ian Sayre, James T. Shariff, Jamil A. Shirokoff, Erik D. Stan, Liliana Stark, Antony A. Sobrin, Joshua Story, Kyle Suzuki, Aritoki Tang, Qing Yang Thakur, Ritoban Basu Thompson, Keith L. Tucker, Carole E. Vanderlinde, Keith Vieira, Joaquin D. Wang, Gensheng Whitehorn, Nathan Yefremenko, Volodymyr Yoon, Ki Won BE Holland, WS Zmuidzinas, J TI Large arrays of dual-polarized multichroic TES detectors for CMB measurements with the SPT-3G receiver SO MILLIMETER, SUBMILLIMETER, AND FAR-INFRARED DETECTORS AND INSTRUMENTATION FOR ASTRONOMY VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Millimeter, Submillimeter, and Far-Infrared Detectors and Instrumentation for Astronomy VIII CY JUN 28-JUL 01, 2016 CL Edinburgh, SCOTLAND SP SPIE DE CMB; SPT-3G; Bolometers; Transition Edge Sensors; Microfabrication; Superconducting Detectors; South Pole Telescope ID ELECTROTHERMAL FEEDBACK; MICROWAVE AB Detectors for cosmic microwave background (CMB) experiments are now essentially background limited, so a straightforward alternative to improve sensitivity is to increase the number of detectors. Large arrays of multichroic pixels constitute an economical approach to increasing the number of detectors within a given focal plane area. Here, we present the fabrication of large arrays of dual-polarized multichroic transition-edge-sensor (TES) bolometers for the South Pole Telescope third-generation CMB receiver (SPT-3G). The complete SPT-3G receiver will have 2690 pixels, each with six detectors, allowing for individual measurement of three spectral bands (centered at 95 GHz, 150 GHz and 220 GHz) in two orthogonal polarizations. In total, the SPT-3G focal plane will have 16140 detectors. Each pixel is comprised of a broad-band sinuous antenna coupled to a niobium microstrip transmission line. In-line filters are used to define the different band-passes before the millimeter-wavelength signal is fed to the respective Ti/Au TES sensors. Detectors are read out using a 64x frequency domain multiplexing (fMux) scheme. The microfabrication of the SPT-3G detector arrays involves a total of 18 processes, including 13 lithography steps. Together with the fabrication process, the effect of processing on the Ti/Au TES's T-c is discussed. In addition, detectors fabricated with Ti/Au TES films with Tc between 400 mK 560 mK are presented and their thermal characteristics are evaluated. Optical characterization of the arrays is presented as well, indicating that the response of the detectors is in good agreement with the design values for all three spectral bands (95 GHz, 150 GHz, and 220 GHz). The measured optical efficiency of the detectors is between 0.3 and 0.8. Results discussed here are extracted from a batch of research of development wafers used to develop the baseline process for the fabrication of the arrays of detectors to be deployed with the SPT-3G receiver. Results from these research and development wafers have been incorporated into the fabrication process to get the baseline fabrication process presented here. SPT-3G is scheduled to deploy to the South Pole Telescope in late 2016. C1 [Posada, Chrystian M.; Ding, Junjia; Khaire, Trupti; Escudero, Sergi Lendinez; Novosad, Valentyn; Pearson, John E.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Ade, Peter A. R.; Tucker, Carole E.] Cardiff Univ, Sch Phys & Astron, Cardiff CF24 3YB, S Glam, Wales. [Anderson, Adam J.; Bender, Amy N.; Benson, Bradford A.; Bleem, Lindsey; Carlstrom, John E.; Carter, Faustin W.; Chang, Clarence L.; Dutcher, Daniel; Henning, Jason W.; Leitch, Erik M.; Meyer, Stephan S.; Padin, Stephen; Pan, Zhaodi; Shirokoff, Erik D.; Sobrin, Joshua; Story, Kyle; Thakur, Ritoban Basu] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Anderson, Adam J.; Benson, Bradford A.; Kubik, Donna L.; Rahlin, Alexandra] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Avva, Jessica; Cukierman, Ari; Harrington, Nicholas L.; Holzapfel, William L.; Huang, Nicholas; Jeong, Oliver; Lee, Adrian T.; Shirley, Ian; Suzuki, Aritoki; Whitehorn, Nathan] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ahmed, Zeeshan; Irwin, Kent D.; Kuo, Chao-Lin; Thompson, Keith L.; Yoon, Ki Won] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Ahmed, Zeeshan; Irwin, Kent D.; Kuo, Chao-Lin; Thompson, Keith L.; Yoon, Ki Won] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Ahmed, Zeeshan; Cho, Hsiao-Mei; Irwin, Kent D.; Kuo, Chao-Lin; Thompson, Keith L.; Yoon, Ki Won] SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. [Arnold, Kam S.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Austermann, Jason; Everett, Wendeline; Halverson, Nils W.; Nguyenm, Hogan; Sayre, James T.] Univ Colorado, Dept Astrophys & Planetary Sci, CASA, Boulder, CO 80309 USA. [Austermann, Jason; Hilton, Gene C.] NIST Quantum Devices Grp, Boulder, CO 80305 USA. [Bender, Amy N.; Bleem, Lindsey; Byrum, Karen; Carlstrom, John E.; Carter, Faustin W.; Chang, Clarence L.; Gannon, Renae N.; Wang, Gensheng; Yefremenko, Volodymyr] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. [Benson, Bradford A.; Carlstrom, John E.; Chang, Clarence L.; Leitch, Erik M.; Meyer, Stephan S.; Shirokoff, Erik D.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Carlstrom, John E.; Meyer, Stephan S.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Carlstrom, John E.; Dutcher, Daniel; Meyer, Stephan S.; Pan, Zhaodi; Sobrin, Joshua; Story, Kyle; Tang, Qing Yang] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Czaplewski, David A.; Divan, Ralu N. S.; Miller, Christina S.; Stan, Liliana] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [de Haan, Tijmen; Dobbs, Matt; Montgomery, Joshua] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Dobbs, Matt] Canadian Inst Adv Res, CIFAR Program Cosmol & Grav, Toronto, ON, Canada. [Guyser, Robert J.; Nadolski, Andrew; Vieira, Joaquin D.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Guyser, Robert J.; Vieira, Joaquin D.] Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. [Halverson, Nils W.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Hattori, Kaori] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Korman, Milo; Ruhl, John E.; Saliwanchik, Benjamin; Shariff, Jamil A.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Lee, Adrian T.] Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Natoli, Tyler J.; Vanderlinde, Keith] Univ Toronto, Dunlap Inst Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Reichardt, Christian L.] Univ Melbourne, Sch Phys, Melbourne, Vic, Australia. [Stark, Antony A.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Vanderlinde, Keith] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. RP Posada, CM (reprint author), Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. EM posada@anl.gov RI Novosad, V /J-4843-2015; DING, Junjia/K-2277-2013; OI DING, Junjia/0000-0002-9917-9156; Stark, Antony/0000-0002-2718-9996; Tucker, Carole/0000-0002-1851-3918 NR 21 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 978-1-5106-0207-6; 978-1-5106-0208-3 J9 PROC SPIE PY 2016 VL 9914 AR UNSP 991417 DI 10.1117/12.2232912 PN 1 PG 11 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PQ UT WOS:000385793800028 ER PT S AU Stebor, N Ade, P Akiba, Y Aleman, C Arnold, K Baccigalupi, C Barch, B Barron, D Beckman, S Bender, A Boettger, D Borrill, J Chapman, S Chinone, Y Cukierman, A de Haan, T Dobbs, MA Ducout, A Dunner, R Elleflot, T Errard, J Fabbian, G Feeney, S Feng, C Fujino, T Fuller, G Gilbert, AJ Goeckner-Wald, N Groh, J Hall, G Halverson, N Hamada, T Hasegawa, M Hattori, K Hazumi, M Hill, C Holzapfel, WL Hori, Y Howe, L Inoue, Y Irie, F Jaehnig, G Jaffe, A Jeong, O Katayama, N Kaufman, JP Kazemzadeh, K Keating, BG Kermish, Z Keskitalo, R Kisner, T Kusaka, A Le Jeune, M Lee, AT Leon, D Linder, EV Lowry, L Matsuda, F Matsumura, T Miller, N Montgomery, J Navaroli, M Nishino, H Paar, H Pelotonh, J Poletti, D Puglisi, G Raum, CR Rebeiz, GM Reichardt, CL Richard, PL Ross, C Rotermund, KM Segawa, Y Sherwin, BD Shirley, I Siritanasak, P Steinmetz, L Stompor, R Suzuki, A Tajima, O Takadav, S Takatori, S Teply, GP Tikhomirov, A Tomaru, T Westbrook, B Whitehorn, N Zahn, A Zahn, O AF Stebor, N. Ade, P. Akiba, Y. Aleman, C. Arnold, K. Baccigalupi, C. Barch, B. Barron, D. Beckman, S. Bender, A. Boettger, D. Borrill, J. Chapman, S. Chinone, Y. Cukierman, A. de Haan, T. Dobbs, M. A. Ducout, A. Dunner, R. Elleflot, T. Errard, J. Fabbian, G. Feeney, S. Feng, C. Fujino, T. Fuller, G. Gilbert, A. J. Goeckner-Wald, N. Groh, J. Hall, G. Halverson, N. Hamada, T. Hasegawa, M. Hattori, K. Hazumi, M. Hill, C. Holzapfel, W. L. Hori, Y. Howe, L. Inoue, Y. Irie, F. Jaehnig, G. Jaffe, A. Jeong, O. Katayama, N. Kaufman, J. P. Kazemzadeh, K. Keating, B. G. Kermish, Z. Keskitalo, R. Kisner, T. Kusaka, A. Le Jeune, M. Lee, A. T. Leon, D. Linder, E. V. Lowry, L. Matsuda, F. Matsumura, T. Miller, N. Montgomery, J. Navaroli, M. Nishino, H. Paar, H. Pelotonh, J. Poletti, D. Puglisi, G. Raum, C. R. Rebeiz, G. M. Reichardt, C. L. Richard, P. L. Ross, C. Rotermund, K. M. Segawa, Y. Sherwin, B. D. Shirley, I. Siritanasak, P. Steinmetz, L. Stompor, R. Suzuki, A. Tajima, O. Takadav, S. Takatori, S. Teply, G. P. Tikhomirov, A. Tomaru, T. Westbrook, B. Whitehorn, N. Zahn, A. Zahn, O. BE Holland, WS Zmuidzinas, J TI The Simons Array CMB Polarization Experiment SO MILLIMETER, SUBMILLIMETER, AND FAR-INFRARED DETECTORS AND INSTRUMENTATION FOR ASTRONOMY VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Millimeter, Submillimeter, and Far-Infrared Detectors and Instrumentation for Astronomy VIII CY JUN 28-JUL 01, 2016 CL Edinburgh, SCOTLAND SP SPIE DE cosmic microwave background radiation; polarization; polarimeters; inflation; neutrinos; dark matter; dark energy; gravitational lensing AB The Simons Array is a next generation cosmic microwave background (CMB) polarization experiment whose science target is a precision measurement of the B-mode polarization pattern produced both by inflation and by gravitational lensing. As a continuation and extension of the successful POL ARBEAR experimental program, the Simons Array will consist of three cryogenic receivers each featuring multichroic bolometer arrays mounted onto separate 3.5m telescopes. The first of these, also called POLARBEAR-2A, will be the first to deploy in late 2016 and has a large diameter focal plane consisting of dual-polarization dichroic pixels sensitive at 95 GHz and 150 GHz. The POLARBEAR-2A focal plane will utilize 7,588 antenna-coupled superconducting transition edge sensor (TES) bolometers read out with SQUID amplifiers using frequency domain multiplexing techniques. The next two receivers that will make up the Simons Array will be nearly identical in overall design but will feature extended frequency capability. The combination of high sensitivity, multichroic frequency coverage and large sky area available from our mid-latitude Chilean observatory will allow Simons Array to produce high quality polarization sky maps over a wide range of angular scales and to separate out the CMB B-modes from other astrophysical sources with high fidelity. After accounting for galactic foreground separation, the Simons Array will detect the primordial gravitational wave B-mode signal to r > 0.01 with a significance of > 5a and will constrain the sum of neutrino masses to 40 meV (lo-) when cross-correlated with galaxy surveys. We present the current status of this funded experiment, its future, and discuss its projected science return. C1 [Stebor, N.; Aleman, C.; Elleflot, T.; Fuller, G.; Howe, L.; Kaufman, J. P.; Kazemzadeh, K.; Keating, B. G.; Leon, D.; Lowry, L.; Matsuda, F.; Navaroli, M.; Paar, H.; Siritanasak, P.; Teply, G. P.; Zahn, A.] Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. [Ade, P.] Cardiff Univ, Sch Phys & Astron, Cardiff CF10 3XQ, S Glam, Wales. [Akiba, Y.; Hasegawa, M.; Hazumi, M.; Inoue, Y.; Rebeiz, G. M.; Segawa, Y.; Tajima, O.; Takatori, S.] SOKENDAI, Grad Inst Adv Studies, Miura Dist, Kanagawa 2400115, Japan. [Arnold, K.; Zahn, A.] Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. [Baccigalupi, C.; Fabbian, G.; Puglisi, G.] SISSA, Via Bonomea 265, I-34136 Trieste, Italy. [Barch, B.; Barron, D.; Beckman, S.; Chinone, Y.; Cukierman, A.; de Haan, T.; Goeckner-Wald, N.; Groh, J.; Hall, G.; Hill, C.; Holzapfel, W. L.; Hori, Y.; Jeong, O.; Keskitalo, R.; Lee, A. T.; Raum, C. R.; Richard, P. L.; Sherwin, B. D.; Shirley, I.; Steinmetz, L.; Suzuki, A.; Westbrook, B.; Whitehorn, N.; Zahn, O.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bender, A.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Boettger, D.; Dunner, R.] Pontificia Univ Catolica Chile, Dept Astron, Santiago, Chile. [Borrill, J.; Keskitalo, R.; Kisner, T.; Kusaka, A.; Lee, A. T.; Linder, E. V.] Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Chapman, S.; Ross, C.; Rotermund, K. M.; Tikhomirov, A.] Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS B3H 4R2, Canada. [Dobbs, M. A.; Gilbert, A. J.; Montgomery, J.] McGill Univ, Dept Phys, Montreal, PQ H3A 0G4, Canada. [Ducout, A.; Feeney, S.; Jaffe, A.] Imperial Coll London, Dept Phys, Blackett Lab, London SW7 2AZ, England. [Errard, J.] Sorbonne Univ, ILP, F-75014 Paris, France. [Feng, C.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Halverson, N.; Jaehnig, G.] Univ Colorado, Ctr Astrophys & Space Astron, Boulder, CO 80309 USA. [Hamada, T.; Hasegawa, M.; Hattori, K.; Hazumi, M.; Inoue, Y.; Segawa, Y.; Tajima, O.; Takatori, S.; Tomaru, T.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Chinone, Y.; Fujino, T.; Hazumi, M.; Irie, F.; Katayama, N.; Nishino, H.] Univ Tokyo, UTIAS, Kavli IPMU WPI, Kashiwa, Chiba 2778583, Japan. [Fujino, T.; Irie, F.] Yokohama Natl Univ, Yokohama, Kanagawa, Japan. [Kermish, Z.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Le Jeune, M.; Poletti, D.; Stompor, R.] Univ Paris Diderot, AstroParticule & Cosmol, CNRS IN2P3, CEA Irfu,Obs Paris,Sorbonne Paris Cite, Paris, France. [Matsumura, T.] Japanese Aerosp Explorat Agcy JAXA, ISAS, Sahamihara, Kanagawa 252510, Japan. [Miller, N.] NASA, Goddard Space Flight Ctr, Observat Cosmol Lab, Code 665, Greenbelt, MD 20771 USA. Univ Tokyo, Tokyo, Japan. [Reichardt, C. L.] Univ Melbourne, Sch Phys, Parkville, Vic 3010, Australia. [Takadav, S.] Natl Inst Fus Sci, 322-6 Oroshi Cho, Toki, Gifu, Japan. [Borrill, J.; Kisner, T.; Suzuki, A.; Westbrook, B.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Bender, A.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Halverson, N.] Univ Colorado, Dept Astrophys & Planetary Sci, Boulder, CO 80309 USA. [Rebeiz, G. M.] Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. [Stebor, N.; Aleman, C.; Elleflot, T.; Fuller, G.; Howe, L.; Kaufman, J. P.; Kazemzadeh, K.; Keating, B. G.; Leon, D.; Lowry, L.; Matsuda, F.; Navaroli, M.; Paar, H.; Siritanasak, P.; Teply, G. P.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Halverson, N.; Jaehnig, G.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. Grad Univ Adv Studies, Miura Dist, Kanagawa 2400115, Japan. [Sherwin, B. D.] Univ Calif Berkeley, Miller Inst Basic Res Sci, Berkeley, CA 94720 USA. [Pelotonh, J.] Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. RP Stebor, N (reprint author), Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA.; Stebor, N (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM nstebor@ucsd.edu OI Chinone, Yuji/0000-0002-3266-857X NR 17 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 978-1-5106-0207-6; 978-1-5106-0208-3 J9 PROC SPIE PY 2016 VL 9914 AR UNSP 99141H DI 10.1117/12.2233103 PN 1 PG 9 WC Astronomy & Astrophysics; Optics SC Astronomy & Astrophysics; Optics GA BF9PQ UT WOS:000385793800035 ER PT S AU Prasad, L Pope, PA Sentz, K AF Prasad, Lakshman Pope, Paul A. Sentz, Kari BE Braun, JJ TI Semantic segmentation of multispectral overhead imagery SO MULTISENSOR, MULTISOURCE INFORMATION FUSION: ARCHITECTURES, ALGORITHMS, AND APPLICATIONS 2016 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Multisensor, Multisource Information Fusion - Architectures, Algorithms, and Applications CY APR 20-21, 2016 CL Baltimore, MD SP SPIE DE Image segmentation; hierarchical; graph representation; semantic analysis; feature extraction; ontology ID EDGE AB Land cover classification uses multispectral pixel information to separate image regions into categories. Image segmentation seeks to separate image regions into objects and features based on spectral and spatial image properties. However, making sense of complex imagery typically requires identifying image regions that are often a heterogeneous mixture of categories and features that constitute functional semantic units such as industrial, residential, or commercial areas. This requires leveraging both spectral classification and spatial feature extraction synergistically to synthesize such complex but meaningful image units. We present an efficient graphical model for extracting such semantically cohesive regions. We employ an initial hierarchical segmentation of images into features represented as nodes of an attributed graph that represents feature properties as well as their adjacency relations with other features. This provides a framework to group spectrally and structurally diverse features, which are nevertheless semantically cohesive, based on user-driven identifications of features and their contextual relationships in the graph. We propose an efficient method to construct, store, and search an augmented graph that captures nonadjacent vicinity relationships of features. This graph can be used to query for semantic notional units consisting of ontologically diverse features by constraining it to specific query node types and their indicated/desired spatial interaction characteristics. User interaction with, and labeling of, initially segmented and categorized image feature graph can then be used to learn feature (node) and regional (subgraph) ontologies as constraints, and to identify other similar semantic units as connected components of the constraint-pruned augmented graph of a query image. C1 [Prasad, Lakshman; Pope, Paul A.; Sentz, Kari] Los Alamos Natl Lab, POB 1663,Bikini Atoll Rd, Los Alamos, NM 87545 USA. RP Prasad, L (reprint author), Los Alamos Natl Lab, POB 1663,Bikini Atoll Rd, Los Alamos, NM 87545 USA. OI Prasad, Lakshman/0000-0003-3967-3643 NR 18 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 978-1-5106-0113-0 J9 PROC SPIE PY 2016 VL 9872 AR UNSP 987203 DI 10.1117/12.2224165 PG 9 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BF9OU UT WOS:000385791700002 ER PT J AU Liu, J Zhu, XJ Kim, SJ Zhang, WJ AF Liu, Joyce Zhu, Xuejun Kim, Seong Jong Zhang, Wenjun TI Antimycin-type depsipeptides: discovery, biosynthesis, chemical synthesis, and bioactivities SO NATURAL PRODUCT REPORTS LA English DT Review ID MITOCHONDRIAL RESPIRATORY-CHAIN; AS4.1 JUXTAGLOMERULAR CELLS; STREPTOMYCES SP ML55; ATP-CITRATE LYASE; CYCLIC ELECTRON-TRANSPORT; CHAPERONE DOWN-REGULATOR; 1ST TOTAL-SYNTHESIS; CANCER-THERAPY; BC(1) COMPLEX; ANTINEOPLASTIC AGENTS AB Antimycin-type depsipeptides are a family of natural products with great structural diversity and outstanding biological activities. These compounds have typically been isolated from actinomycetes and are generated from hybrid nonribosomal peptide synthetase (NRPS)-polyketide synthase (PKS) assembly lines. This review covers the literature on the four classes of antimycin-type depsipeptides, which differ by macrolactone ring size, and it discusses the discovery, biosynthesis, chemical synthesis, and biological activities of this family of compounds. C1 [Liu, Joyce] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Zhu, Xuejun; Kim, Seong Jong; Zhang, Wenjun] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA. [Zhang, Wenjun] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. RP Zhang, WJ (reprint author), Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.; Zhang, WJ (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. EM wjzhang@berkeley.edu FU Pew Scholars Program, University of California Cancer Research Coordinating Committee funds; Hellman Fellows Fund FX The authors' laboratory work on antimycins has been supported by the Pew Scholars Program, University of California Cancer Research Coordinating Committee funds, and the Hellman Fellows Fund. NR 135 TC 1 Z9 1 U1 12 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0265-0568 EI 1460-4752 J9 NAT PROD REP JI Nat. Prod. Rep. PY 2016 VL 33 IS 10 BP 1146 EP 1165 DI 10.1039/c6np00004e PG 20 WC Biochemistry & Molecular Biology; Chemistry, Medicinal; Chemistry, Organic SC Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Chemistry GA DY8EZ UT WOS:000385362900002 PM 27307039 ER PT S AU Field, ES Bellum, JC Kletecka, DE AF Field, Ella S. Bellum, John C. Kletecka, Damon E. BE Jitsuno, T Shao, J Rudolph, W TI Effectiveness of ion cleaning to improve the laser damage threshold of HfO2/SiO2 optical coatings for high reflection and antireflection at 527 nm and 1054 nm SO PACIFIC RIM LASER DAMAGE 2016 - OPTICAL MATERIALS FOR HIGH-POWER LASERS SE Proceedings of SPIE LA English DT Proceedings Paper CT 6th Pacific-Rim Laser Damage conference (PLD) CY MAY 18-20, 2016 CL Yokohama, JAPAN SP SPIE, Osaka Univ, Inst Laser Engn, Shanghai Inst Opt & Fine Mech DE optical coatings; ion cleaning; HfO2; SiO2; laser damage; high reflection; antireflection AB Preventing contamination is vital to achieving high laser-induced damage thresholds in optical coatings. The importance of removing contamination from optical substrates has led to the development of many specialized cleaning processes, including the application of solvents, acids, mild detergents, and abrasives. To further enhance contamination removal, the substrate may be treated with ion cleaning just prior to depositing the optical coating. Ion cleaning is attractive thanks to the convenience of providing in-situ treatment to optical substrates, and also avoiding the hassle of managing hazardous chemicals or applying mechanical force to scrub off detergents and other cleaning agents. In this study, we compare the effectiveness of ion cleaning for increasing the laser-induced damage thresholds of high reflection (527 nm and 1054 nm) and antireflection (527 nm) coatings. Ion cleaning was performed using a radio frequency ion source with argon and oxygen. The coatings investigated were deposited with layers of HfO2 and SiO2 in an e-beam evaporation system, and are designed to withstand nanosecond pulses from a kJ-class laser. C1 [Field, Ella S.; Bellum, John C.; Kletecka, Damon E.] Sandia Natl Labs, POB 5800,MS 1191, Albuquerque, NM 87185 USA. RP Field, ES (reprint author), Sandia Natl Labs, POB 5800,MS 1191, Albuquerque, NM 87185 USA. EM efield@sandia.gov NR 10 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 978-1-5106-0357-8; 978-1-5106-0358-5 J9 PROC SPIE PY 2016 VL 9983 AR UNSP 998314 DI 10.1117/12.2235689 PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BF9PC UT WOS:000385792400011 ER PT S AU Liao, ZM Nostrand, M Carr, W Bude, J Suratwala, TI AF Liao, Zhi M. Nostrand, Mike Carr, Wren Bude, Jeff Suratwala, Tayyab I. BE Jitsuno, T Shao, J Rudolph, W TI Modeling of laser-induced damage and optic usage at the National Ignition Facility SO PACIFIC RIM LASER DAMAGE 2016 - OPTICAL MATERIALS FOR HIGH-POWER LASERS SE Proceedings of SPIE LA English DT Proceedings Paper CT 6th Pacific-Rim Laser Damage conference (PLD) CY MAY 18-20, 2016 CL Yokohama, JAPAN SP SPIE, Osaka Univ, Inst Laser Engn, Shanghai Inst Opt & Fine Mech DE laser induced damage; optics lifetime ID FUSED-SILICA OPTICS; EXIT SURFACE; GROWTH; IRRADIATION; PERFORMANCE; NIF; UV AB Modeling of laser-induced optics damage has been introduced to benchmark existing optic usage at the National Ignition Facility (NIF) which includes the number of optics exchanged for damage repair. NIF has pioneered an optics recycle strategy to allow it to run the laser at capacity since fully commissioned in 2009 while keeping the cost of optics usage manageable. We will show how the damage model is being used to evaluate strategies to streamline our optics loop efficiency, as we strive to increase the laser shot rate without increasing operating costs. C1 [Liao, Zhi M.; Nostrand, Mike; Carr, Wren; Bude, Jeff; Suratwala, Tayyab I.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. RP Liao, ZM (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. NR 22 TC 0 Z9 0 U1 3 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 978-1-5106-0357-8; 978-1-5106-0358-5 J9 PROC SPIE PY 2016 VL 9983 AR UNSP 998304 DI 10.1117/12.2238218 PG 6 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BF9PC UT WOS:000385792400001 ER PT J AU Caselli, M Zambon, E Amann, J Sommer, R Kargl, F AF Caselli, Marco Zambon, Emmanuele Amann, Johanna Sommer, Robin Kargl, Frank GP USENIX Assoc TI Specification Mining for Intrusion Detection in Networked Control Systems SO PROCEEDINGS OF THE 25TH USENIX SECURITY SYMPOSIUM LA English DT Proceedings Paper CT 25th USENIX Security Symposium CY AUG 10-12, 2016 CL Austin, TX SP USENIX, facebook, NSF, Cisco, Google, Microsoft, Neustar, IBM Res, Symantec, ACM Queue, ADMIN, CRC Press, Linux Pro Magazine, NetApp, VMware, LXer, UserFriendly Org, OReilly Media, No Starch Press, Virus Bulletin ID LANGUAGE AB This paper discusses a novel approach to specification-based intrusion detection in the field of networked control systems. Our approach reduces the substantial human effort required to deploy a specification-based intrusion detection system by automating the development of its specification rules. We observe that networked control systems often include comprehensive documentation used by operators to manage their infrastructures. Our approach leverages the same documentation to automatically derive the specification rules and continuously monitor network traffic. In this paper, we implement this approach for BACnet-based building automation systems and test its effectiveness against two real infrastructures deployed at the University of Twente and the Lawrence Berkeley National Laboratory (LBNL). Our implementation successfully identifies process control mistakes and potentially dangerous misconfigurations. This confirms the need for an improved monitoring of networked control system infrastructures. C1 [Caselli, Marco; Zambon, Emmanuele] Univ Twente, NL-7500 AE Enschede, Netherlands. [Zambon, Emmanuele] SecurityMatters BV, Eindhoven, Netherlands. [Amann, Johanna; Sommer, Robin] ICSI, Bloomington, MN USA. [Sommer, Robin] LBNL, Berkeley, CA USA. [Kargl, Frank] Univ Ulm, D-89069 Ulm, Germany. RP Caselli, M (reprint author), Univ Twente, NL-7500 AE Enschede, Netherlands. EM m.caselli@utwente.nl; emmanuele.zambon@secmatters.com; johanna@icir.org; robin@icir.org; frank.kargl@uni-ulm.de NR 65 TC 0 Z9 0 U1 0 U2 0 PU USENIX ASSOC PI BERKELEY PA SUITE 215, 2560 NINTH ST, BERKELEY, CA 94710 USA BN 978-1-931971-32-4 PY 2016 BP 791 EP 806 PG 16 WC Computer Science, Information Systems SC Computer Science GA BF8XY UT WOS:000385263000047 ER PT B AU Ling, JL Ruiz, A Lacaze, G Oefelein, J AF Ling, Julia Ruiz, Anthony Lacaze, Guilhem Oefelein, Joseph GP ASME TI UNCERTAINTY ANALYSIS AND DATA-DRIVEN MODEL ADVANCES FOR A JET-IN-CROSSFLOW SO PROCEEDINGS OF THE ASME TURBO EXPO: TURBINE TECHNICAL CONFERENCE AND EXPOSITION, 2016, VOL 5C LA English DT Proceedings Paper CT ASME Turbo Expo: Turbine Technical Conference and Exposition CY JUN 13-17, 2016 CL Seoul, SOUTH KOREA SP Int Gas Turbine Inst ID ALGEBRAIC FLUX MODELS; TURBULENT; SIMULATION; SCALAR; DIFFUSIVITY; NUMBER; HEAT AB For film cooling of combustor linings and turbine blades, it is critical to be able to accurately model jets-in-crossflow. Current Reynolds Averaged Navier Stokes (RANS) models often give unsatisfactory predictions in these flows, due in large part to model form error, which cannot be resolved through calibration or tuning of model coefficients. The Boussinesq hypothesis, upon which most two-equation RANS models rely, posits the existence of a non-negative scalar eddy viscosity, which gives a linear relation between the Reynolds stresses and the mean strain rate. This model is rigorously analyzed in the context of a jet-in-crossflow using the high fidelity Large Eddy Simulation data of Ruiz et al. (2015), as well as RANS k-epsilon results for the same flow. It is shown that the RANS models fail to accurately represent the Reynolds stress anisotropy in the injection hole, along the wall, and on the lee side of the jet. Machine learning methods are developed to provide improved predictions of the Reynolds stress anisotropy in this flow. C1 [Ling, Julia] Sandia Natl Labs, Thermal Fluid Sci & Engn, Livermore, CA 94551 USA. [Ruiz, Anthony; Lacaze, Guilhem; Oefelein, Joseph] Sandia Natl Labs, Reacting Flow Res, Livermore, CA 94551 USA. RP Ling, JL (reprint author), Sandia Natl Labs, Thermal Fluid Sci & Engn, Livermore, CA 94551 USA. EM jling@sandia.gov NR 36 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4980-4 PY 2016 AR UNSP V05CT12A003 PG 11 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA BF9CW UT WOS:000385460700003 ER PT B AU Lambruschini, F Liese, E Zitney, SE Traverso, A AF Lambruschini, Fabio Liese, Eric Zitney, Stephen E. Traverso, Alberto GP ASME TI DYNAMIC MODEL OF A 10 MW SUPERCRITICAL CO2 RECOMPRESSION BRAYTON CYCLE SO PROCEEDINGS OF THE ASME TURBO EXPO: TURBINE TECHNICAL CONFERENCE AND EXPOSITION, 2016, VOL 9 LA English DT Proceedings Paper CT ASME Turbo Expo: Turbine Technical Conference and Exposition CY JUN 13-17, 2016 CL Seoul, SOUTH KOREA SP Int Gas Turbine Inst AB In this work, the National Energy Technology Laboratory (NETL) in collaboration with the Theiniochemical Power Group (TPG) of the University of Genoa have developed a dynamic model of a 10 MW closed-loop supercritical CO2 (sCO(2)) recompression Brayton cycle plant in the MATLAB-Simulink environment. The sCO(2) cycle modeled here is a closed cycle with an external thermal source used to heat the sCO(2) working fluid before it is expanded in a turbine. The turbine exhaust heat is recuperated using high- and low-temperature recuperators, with mixing of two compressor outlets between the recuperators (on the cold-side). About two thirds of the low-pressure sCO(2) is compressed by a main compressor, after passing through a cooler, while the remaining working fluid flows directly through a bypass compressor. The reference fluid properties (REFPROP) method by the National Institute of Standards and Technology is used to provide the thermodynamic and transport properties for sCO(2) over the cycle temperature and pressure range because the sCO(2) behavior is highly non-ideal, especially at the inlet of the two compressors. Dynamic simulations have been carried out to assess the behavior of the plant during a typical process disturbance. C1 [Lambruschini, Fabio; Traverso, Alberto] Univ Genoa, TPG, DIME, Genoa, Italy. [Liese, Eric; Zitney, Stephen E.] US DOE, Natl Energy Technol Lab, Morgantown, WV USA. RP Lambruschini, F (reprint author), Univ Genoa, TPG, DIME, Genoa, Italy. EM fabio.lambruschini@edu.unige.it; eric.liese@netl.doe.gov; stephen.zitney@netl.doe.gov; alberto.traverso@unige.it NR 11 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4987-3 PY 2016 BP 341 EP 349 AR UNSP V009T36A004 PG 9 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BF9DB UT WOS:000385467400031 ER PT B AU Pasch, J Carlson, M Fleming, D Rochau, G AF Pasch, Jim Carlson, Matt Fleming, Darryn Rochau, Gary GP ASME TI EVALUATION OF RECENT DATA FROM THE SANDIA NATIONAL LABORATORIES CLOSED BRAYTON CYCLE TESTING SO PROCEEDINGS OF THE ASME TURBO EXPO: TURBINE TECHNICAL CONFERENCE AND EXPOSITION, 2016, VOL 9 LA English DT Proceedings Paper CT ASME Turbo Expo: Turbine Technical Conference and Exposition CY JUN 13-17, 2016 CL Seoul, SOUTH KOREA SP Int Gas Turbine Inst AB At Sandia National Laboratories (SNL), The Nuclear Energy Systems Laboratory / Brayton Lab has been established to research and develop subsystems and demonstrate the viability of the closed Brayton cycles (CBC), and in particular, the recompression CBC. The ultimate objective of this program is to have a commercial-ready system available for small modular reactors. For this objective, R&D efforts must demonstrate that, among other things, component and the system behavior is understood and control is manageable, and system performance is predictable. Research activities that address these needs include investigating system responses to various anticipated perturbations, and demonstrating that component and system performance is understood. To these ends, this paper presents system response to a perturbation, and turbomachinery performance results during steady state operation. A long duration test, with an extensive period at steady state, was completed in the simple CBC configuration. During this period, a cooling perturbation was initiated. Data from this test are presented and evaluated to explain the sequence of events following the perturbation. It was found that a cascading series of events ensued, starting with the fluid condensing effect of the cooling perturbation. The explanation of events emphasizes the highly interactive and nonlinear nature of CBC's. The comparisonS of measured and predicted turbomachinery performance yielded excellent results and give confidence that the predictive methods originally envisioned for this system work well. C1 [Pasch, Jim; Carlson, Matt; Fleming, Darryn; Rochau, Gary] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Pasch, J (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 4 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4987-3 PY 2016 BP 449 EP 457 AR UNSP V009T36A015 PG 9 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BF9DB UT WOS:000385467400042 ER PT B AU Elsworth, D Fang, Y Gan, Q Im, KJ Ishibashi, T Guglielmi, Y AF Elsworth, D. Fang, Y. Gan, Q. Im, K. J. Ishibashi, T. Guglielmi, Y. BE Li, H Li, J Zhang, Q Zhao, J TI Induced seismicity in the development of EGS-benefits and drawbacks SO ROCK DYNAMICS: FROM RESEARCH TO ENGINEERING LA English DT Proceedings Paper CT 2nd International Conference on Rock Dynamics and Applications (RocDyn) CY MAY 18-19, 2016 CL Suzhou, PEOPLES R CHINA SP Chinese Acad Sci, Inst Rock & Soil Mech, Monash Univ ID FAULT REACTIVATION; GEOTHERMAL-RESERVOIRS; SURFACE DEFORMATION; SLIP; FRICTION; FIELD; SITE AB The development of a successful Enhanced/ Engineered Geothermal System (EGS) reservoir at commercial scale has proved an elusive goal-despite the prospects of an immense resource and a near-limitless supply of sustainable baseload power. Key challenges relate to both creating and sustaining a high-throughput reservoir from an initially very low permeability deep reservoir and in achieving this with minimal induced seismicity. In the following we (i) explore the nature of early-and late-time induced seismicity anticipated in such projects, (ii) observed at contemporary and historic sites, and explore how this may be linked to permeability evolution through (iii) permeability-seismicity scaling and in (iv) coupling with the evolving rate and state properties of the reservoir. C1 [Elsworth, D.; Fang, Y.; Im, K. J.] Penn State Univ, University Pk, PA 16802 USA. [Gan, Q.] Univ Aberdeen, Aberdeen, Scotland. [Ishibashi, T.] AIST, Fukushima Renewable Energy Inst, Tsukuba, Ibaraki, Japan. [Guglielmi, Y.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Elsworth, D (reprint author), Penn State Univ, University Pk, PA 16802 USA. NR 33 TC 0 Z9 0 U1 3 U2 3 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-315-47081-8; 978-1-138-02953-8 PY 2016 BP 13 EP 24 PG 12 WC Geochemistry & Geophysics; Engineering, Geological SC Geochemistry & Geophysics; Engineering GA BF8XF UT WOS:000385239400002 ER PT J AU Small, LJ Sears, JM Lambert, TN Boyle, TJ Hess, RF AF Small, Leo J. Sears, Jeremiah M. Lambert, Timothy N. Boyle, Timothy J. Hess, Ryan F. TI Electroreduction of Er3+ in nonaqueous solvents SO RSC ADVANCES LA English DT Article ID TEMPERATURE IONIC LIQUID; ELECTROCHEMICAL-BEHAVIOR; YTTERBIUM III; MOLTEN-SALTS; ELECTRODEPOSITION; CHLORIDE; DYSPROSIUM; LANTHANUM; EUROPIUM(III); COMPLEX AB The electroreduction of Er3+ in propylene carbonate, N, N-dimethylformamide, or a variety of quaternary ammonium ionic liquids (ILs) was investigated using [Er(OTf)(3)] and [Er(NTf2)(3)]. Systematic variation of the ILs' cation and anion, Er3+ salt, and electrode material revealed a disparity in electrochemical interactions not previously seen. For most ILs at a platinum electrode, cyclic voltammetry exhibits irreversible interactions between Er3+ salts and the electrode at potentials significantly less than the theoretical reduction potential for Er3+. Throughout all solvent-salt systems tested, a deposit could be formed on the electrode, though obtaining a high purity, crystalline Er-0 deposit is challenging due to the extreme reactivity of the deposit and resulting chemical interactions, often resulting in the formation of a complex, amorphous solid-electrolyte interface that slowed deposition rates. Comparison of platinum, gold, nickel, and glassy carbon (GC) working electrodes revealed oxidation processes unique to the platinum surface. While no appreciable reduction current was observed on GC at the potentials investigated, deposits were seen on platinum, gold, and nickel electrodes. C1 [Small, Leo J.; Sears, Jeremiah M.; Lambert, Timothy N.; Boyle, Timothy J.; Hess, Ryan F.] Sandia Natl Labs, POB 5800,MS 1411, Albuquerque, NM 87185 USA. RP Small, LJ (reprint author), Sandia Natl Labs, POB 5800,MS 1411, Albuquerque, NM 87185 USA. EM ljsmall@sandia.gov FU Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Ms. B. Mckenzie for assistance with the scanning electron microscopy, and Dr M. Brumbach for recording XPS data. This work was supported by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories. Sandia National Laboratories is a multi-mission 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 31 TC 0 Z9 0 U1 8 U2 8 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 2016 VL 6 IS 92 BP 89564 EP 89571 DI 10.1039/c6ra15061f PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA DX5SE UT WOS:000384441200074 ER PT J AU Yu, Y Zhao, DW Grice, CR Meng, WW Wang, CL Liao, WQ Cimaroli, AJ Zhang, HM Zhu, K Yan, YF AF Yu, Yue Zhao, Dewei Grice, Corey R. Meng, Weiwei Wang, Changlei Liao, Weiqiang Cimaroli, Alexander J. Zhang, Hongmei Zhu, Kai Yan, Yanfa TI Thermally evaporated methylammonium tin triiodide thin films for lead-free perovskite solar cell fabrication SO RSC ADVANCES LA English DT Article ID PHOTOVOLTAIC APPLICATIONS; HALIDE PEROVSKITES; SHORT-CIRCUIT; LAYER; RECOMBINATION; PERFORMANCE; DEPOSITION; DEVICES AB We report on the synthesis of methylammonium tin triiodide (MASnI(3)) thin films at room temperature by a hybrid thermal evaporation method and their application in fabricating lead (Pb)-free perovskite solar cells. The as-deposited MASnI(3) thin films exhibit smooth surfaces, uniform coverage across the entire substrate, and strong crystallographic preferred orientation along the < 100 > direction. By incorporating this film with an inverted planar device architecture, our Pb-free perovskite solar cells are able to achieve an open-circuit voltage (V-OC) up to 494 mV. The relatively high V-OC is mainly ascribed to the excellent surface coverage, the compact morphology, the good stoichiometry control of the MASnI(3) thin films, and the effective passivation of the electron-blocking and hole-blocking layers. Our results demonstrate the potential capability of the hybrid evaporation method to prepare high-quality Pb-free MASnI(3) perovskite thin films which can be used to fabricate efficient Pb-free perovskite solar cells. C1 [Yu, Yue; Zhao, Dewei; Grice, Corey R.; Meng, Weiwei; Wang, Changlei; Liao, Weiqiang; Cimaroli, Alexander J.; Yan, Yanfa] Univ Toledo, Wright Ctr Photovolta Innovat & Commercializat, Dept Phys & Astron, Toledo, OH 43606 USA. [Zhang, Hongmei] Nanjing Univ Posts & Telecommun, Key Lab Organ Elect & Informat Displays, Inst Adv Mat, Nanjing 210023, Jiangsu, Peoples R China. [Zhu, Kai] Natl Renewable Energy Lab, Chem & Nanosci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Zhao, DW; Yan, YF (reprint author), Univ Toledo, Wright Ctr Photovolta Innovat & Commercializat, Dept Phys & Astron, Toledo, OH 43606 USA. EM dewei_zhao@hotmail.com; yanfa.yan@utoledo.edu OI Grice, Corey/0000-0002-0841-5943 FU U.S. Department of Energy (DOE) SunShot Initiative under the Next Generation Photovoltaics 3 program [DE-FOA-0000990]; National Science Foundation [CHE-1230246, DMR-1534686]; Ohio Research Scholar Program; U.S. Department of Energy SunShot Initiative under the Next Generation Photovoltaics 3 program [DE-AC36-08-GO28308]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; 973 Program of China [2015CB932203] FX This work is financially supported by the U.S. Department of Energy (DOE) SunShot Initiative under the Next Generation Photovoltaics 3 program (DE-FOA-0000990), National Science Foundation under contract no. CHE-1230246 and DMR-1534686, and the Ohio Research Scholar Program. The work at the National Renewable Energy Laboratory is supported by the U.S. Department of Energy SunShot Initiative under the Next Generation Photovoltaics 3 program under Contract No. DE-AC36-08-GO28308. This research uses the resources of the Ohio Supercomputer Center and the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. H.M.Z thanks the support from the 973 Program of China (2015CB932203). NR 40 TC 1 Z9 1 U1 25 U2 25 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 2016 VL 6 IS 93 BP 90248 EP 90254 DI 10.1039/c6ra19476a PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA DY9KF UT WOS:000385451800032 ER PT J AU Chakraborty, S Rocha, RC Desireddy, A Artyushkova, K Sanchez, TC Perry, AT Atanassov, P Martinez, JS AF Chakraborty, Saumen Rocha, Reginaldo C. Desireddy, Anil Artyushkova, Kateryna Sanchez, Timothy C. Perry, Albert T. Atanassov, Plamen Martinez, Jennifer S. TI Gold nanocluster formation using morpholino oligomer as template and assembly agent within hybrid bio-nanomaterials SO RSC ADVANCES LA English DT Article ID THEORETICAL-ANALYSIS; SILVER NANOCLUSTERS; RAMAN-SPECTROSCOPY; OXYGEN REDUCTION; DNA; CLUSTERS; COMPLEXES; NANOMOLECULES; FLUORESCENCE; EMISSION AB We report the use of a phosphorodiamidate morpholino oligomer as a DNA analogue to template the assembly of a gold nanocluster possessing 6 Au atoms and a diameter of similar to 0.9 nm. Spectroscopic characterization indicates that Au preferentially binds to the phosphorodiamidate backbone as opposed to the nucleobases. A high fraction of Au(I) relative to Au(0) is observed by X-ray photoelectron spectroscopy and electrochemistry. This new nanocluster was co-assembled with carbon nanotubes and a fuel-cell enzyme, bilirubin oxidase. The hybrid bio-nanoassembly can reduce O-2 to H2O without changing the overpotential of the enzyme. C1 [Chakraborty, Saumen; Rocha, Reginaldo C.; Desireddy, Anil; Martinez, Jennifer S.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Artyushkova, Kateryna; Perry, Albert T.; Atanassov, Plamen] Univ New Mexico, Adv Mat Lab, Dept Chem & Biol Engn, Ctr Microengn Mat, Albuquerque, NM 87106 USA. [Sanchez, Timothy C.] Los Alamos Natl Lab, Biosci Div, Bioenergy & Biome Sci, Los Alamos, NM 87545 USA. [Martinez, Jennifer S.] Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM 87545 USA. [Chakraborty, Saumen] Univ Mississippi, Dept Chem & Biochem, University, MS 38677 USA. RP Chakraborty, S; Rocha, RC; Martinez, JS (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.; Martinez, JS (reprint author), Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM 87545 USA.; Chakraborty, S (reprint author), Univ Mississippi, Dept Chem & Biochem, University, MS 38677 USA. EM saumenc@olemiss.edu; rcrocha@lanl.gov; jenm@lanl.gov OI Sanchez, Timothy/0000-0001-8952-4414 FU Laboratory Directed Research and Development program at LANL; Basic Energy Sciences, Biomolecular Materials Program, Division of Materials Science Engineering; Air Force Office of Scientific Research [FA9550-12-1-0112]; ARO-Multi-University Research Initiative [W911NF-14-1-0263]; U.S. DOE [DE-AC52-06NA25396] FX We acknowledge financial support by the Laboratory Directed Research and Development program at LANL (A. D.), the Basic Energy Sciences, Biomolecular Materials Program, Division of Materials Science & Engineering (S. C., R. C. R., J. S. M.). P. A. acknowledges the Air Force Office of Scientific Research (grant FA9550-12-1-0112) and ARO-Multi-University Research Initiative (grant W911NF-14-1-0263 to the University of Utah). This work was performed, in part, at the Center for Integrated Nanotechnologies (CINT), a User Facility operated for the U.S. Department of Energy (DOE), Office of Science. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. DOE under contract DE-AC52-06NA25396. The authors thank Dr Darrick Williams (CINT) for assistance with EDX data collection. NR 55 TC 0 Z9 0 U1 6 U2 6 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 2016 VL 6 IS 93 BP 90624 EP 90630 DI 10.1039/c6ra16891d PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA DY9KF UT WOS:000385451800076 ER PT S AU Mayes, RL Rohe, DP AF Mayes, Randall L. Rohe, Daniel P. BE Brandt, A Singhal, R TI Physical Vibration Simulation of an Acoustic Environment with Six Shakers on an Industrial Structure SO SHOCK & VIBRATION, AIRCRAFT/AEROSPACE, ENERGY HARVESTING, ACOUSTICS & OPTICS, VOL 9 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE MIMO shaker control; Multi-shaker simulation AB A previous study in the UK demonstrated that vibration response on a scaled-down model of a missile structure in a wind tunnel could be replicated in a laboratory setting with multiple shakers using an approach dubbed as impedance matching. Here we demonstrate on a full scale industrial structure that the random vibration induced from a laboratory acoustic environment can be nearly replicated at 37 internal accelerometers using six shakers. The voltage input to the shaker amplifiers is calculated using a regularized inverse of the square of the amplitude of the frequency response function matrix and the power spectral density responses of the 37 internal accelerometers. No cross power spectral density responses are utilized. The structure has hundreds of modes and the simulation is performed out to 4000 Hz. C1 [Mayes, Randall L.; Rohe, Daniel P.] Sandia Natl Labs, NDE, Struct Dynam, POB 5800, Albuquerque, NM 87185 USA. [Mayes, Randall L.; Rohe, Daniel P.] Sandia Natl Labs, Model Validat Dept, POB 5800, Albuquerque, NM 87185 USA. RP Mayes, RL (reprint author), Sandia Natl Labs, NDE, Struct Dynam, POB 5800, Albuquerque, NM 87185 USA.; Mayes, RL (reprint author), Sandia Natl Labs, Model Validat Dept, POB 5800, Albuquerque, NM 87185 USA. EM rlmayes@sandia.gov; dprohe@sandia.gov NR 3 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-30087-0; 978-3-319-30086-3 J9 C PROC SOC EXP MECH PY 2016 BP 29 EP 41 DI 10.1007/978-3-319-30087-0_4 PG 13 WC Engineering, Aerospace; Engineering, Mechanical SC Engineering GA BF8YT UT WOS:000385281400004 ER PT S AU Baker, M Neal, K Sweetland, K Stevens, G Harvey, D Taylor, S AF Baker, Matthew Neal, Kelsey Sweetland, Katrina Stevens, Garrison Harvey, Dustin Taylor, Stuart BE Brandt, A Singhal, R TI Developing Conservative Mechanical Shock Specifications SO SHOCK & VIBRATION, AIRCRAFT/AEROSPACE, ENERGY HARVESTING, ACOUSTICS & OPTICS, VOL 9 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Mechanical shock; Shock test specification; Shaker shock; Shock severity; Sensitivity analysis AB Mechanical shock testing and analysis are integral parts of developing new high-value items and ensuring their capability to withstand the environments to which they will be exposed. Most conventional methods for specifying mechanical shock environments provide no mathematically defensible correlation between their parameters and the damage-causing potential of the environment, thus warranting the study of new methods to specify shock environments. In this paper, a variety of parameters that correlate to the damage-causing potential of a shock environment are identified. The parameters investigated are restricted to those that can be constrained during a real-time laboratory test. An analytical study using a sensitivity analysis determined the effect of each parameter on the damage-causing potential of a shock environment. These parameters are used to create shock specifications and investigate the simulated response of a structure. The parameters generated in this study improve mechanical shock testing by providing a strong correlation between the shock environment and the damage-causing potential of a mechanical shock. C1 [Baker, Matthew; Stevens, Garrison] Clemson Univ, Calhoun Dr, Clemson, SC 29634 USA. [Neal, Kelsey] Colorado Sch Mines, 1500 Illinois St, Golden, CO 80401 USA. [Sweetland, Katrina; Harvey, Dustin; Taylor, Stuart] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RP Taylor, S (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM sgtaylor@lanl.gov NR 6 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-30087-0; 978-3-319-30086-3 J9 C PROC SOC EXP MECH PY 2016 BP 43 EP 51 DI 10.1007/978-3-319-30087-0_5 PG 9 WC Engineering, Aerospace; Engineering, Mechanical SC Engineering GA BF8YT UT WOS:000385281400005 ER PT S AU Harvie, JM Mayes, R AF Harvie, Julie M. Mayes, Randy BE Brandt, A Singhal, R TI Quantification of Dynamic Differences Between Boundary Conditions for Environment Specification Improvement SO SHOCK & VIBRATION, AIRCRAFT/AEROSPACE, ENERGY HARVESTING, ACOUSTICS & OPTICS, VOL 9 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Substructuring; Boundary conditions; Craig Bampton AB Qualification of complex systems typically involves testing the components individually in shock and vibration environments before assembling them into the system. When the components are secured to a fixture on the shaker table, the mechanical impedance of the boundary condition is quite different from that of the next level of assembly. Thus the modes of the component under test are not excited in the same way that they are excited in the system using the typical methods for defining input specifications. Here, the boundary condition impedance is investigated and quantified using substructuring techniques. Also, fixture inputs are derived to overcome the impedance differences and excite a component in the same way it is excited in the next level of assembly. C1 [Harvie, Julie M.] Sandia Natl Labs, Program & Test Integrat Dept, POB 5800 MS 0840, Albuquerque, NM 87185 USA. [Mayes, Randy] Sandia Natl Labs, NDE, Expt Mech, POB 5800 MS 0840, Albuquerque, NM 87185 USA. [Mayes, Randy] Sandia Natl Labs, Model Validat Dept, POB 5800 MS 0840, Albuquerque, NM 87185 USA. RP Harvie, JM (reprint author), Sandia Natl Labs, Program & Test Integrat Dept, POB 5800 MS 0840, Albuquerque, NM 87185 USA. EM jharvie@sandia.gov; rlmayes@sandia.gov NR 10 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-30087-0; 978-3-319-30086-3 J9 C PROC SOC EXP MECH PY 2016 BP 117 EP 131 DI 10.1007/978-3-319-30087-0_11 PG 15 WC Engineering, Aerospace; Engineering, Mechanical SC Engineering GA BF8YT UT WOS:000385281400011 ER PT S AU Stender, M Papangelo, A Allen, M Brake, M Schwingshackl, C Tiedemann, M AF Stender, M. Papangelo, A. Allen, M. Brake, M. Schwingshackl, C. Tiedemann, M. BE Brandt, A Singhal, R TI Structural Design with Joints for Maximum Dissipation SO SHOCK & VIBRATION, AIRCRAFT/AEROSPACE, ENERGY HARVESTING, ACOUSTICS & OPTICS, VOL 9 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Joints; Dissipation; Optimization; Design; Nonlinear dynamics AB Many engineered structures are assembled using different kinds of joints such as bolted, riveted and clamped joints. Even if joints are often a small part of the overall structure, they can have a massive impact on its dynamics due to the introduction of nonlinearities. Thus, joints are considered a design liability. Significant effort has been spent in joint characterization and modelling, but a predictive joint model is still non-existent. To overcome these uncertainties and ensure certain safety standards, joints are usually overdesigned according to static considerations and their stiffness. Especially damping and nonlinearity are not considered during the design process. This can lead to lower performance, lower payload, and as result of the joints structural dynamic models often do a poor job of predicting the dynamic response. However, it is well-known that, particularly for metal structures, joints represent the main source of energy dissipation. In this work a minimal model is used to show how structural performance can be improved using joints as a design variable. Common optimization tools are applied to a nonlinear joint model in order to damp undesired structural vibrations. Results illustrate how the intentional choice of joint parameters and locations can effectively reduce vibration level for a given operating point of a jointed structure. C1 [Stender, M.] Hamburg Univ Technol, Dynam Grp, Schlossmuehlendamm 30, D-21073 Hamburg, Germany. [Papangelo, A.] Polytech Bari, Dept Mech Math & Management, Viale Japigia 182, I-70126 Bari, Italy. [Allen, M.] Univ Wisconsin, Dept Engn Phys, 1500 Engn Dr, Madison, WI 53706 USA. [Brake, M.] Sandia Natl Labs, Component Sci & Mech, MS 1070, Albuquerque, NM 87185 USA. [Schwingshackl, C.] Imperial Coll London, Exhibit Rd, London SW7 2AZ, England. [Tiedemann, M.] Hamburg Univ Technol, Dynam Grp, Schlossmuehlendamm 30, D-21073 Hamburg, Germany. [Tiedemann, M.] Audi AG, D-85057 Ingolstadt, Germany. RP Stender, M (reprint author), Hamburg Univ Technol, Dynam Grp, Schlossmuehlendamm 30, D-21073 Hamburg, Germany. EM merten.stender@tuhh.de NR 9 TC 0 Z9 0 U1 2 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-30087-0; 978-3-319-30086-3 J9 C PROC SOC EXP MECH PY 2016 BP 179 EP 187 DI 10.1007/978-3-319-30087-0_16 PG 9 WC Engineering, Aerospace; Engineering, Mechanical SC Engineering GA BF8YT UT WOS:000385281400016 ER PT J AU Tzou, JC Kevrekidis, PG Kolokolnikov, T Carretero-Gonzalez, R AF Tzou, J. C. Kevrekidis, P. G. Kolokolnikov, T. Carretero-Gonzalez, R. TI Weakly Nonlinear Analysis of Vortex Formation in a Dissipative Variant of the Gross-Pitaevskii Equation SO SIAM JOURNAL ON APPLIED DYNAMICAL SYSTEMS LA English DT Article DE nonlinear Schrodinger equation; Bose-Einstein condensates; vortex nucleation; dissipative Gross-Pitaevskii equation ID BOSE-EINSTEIN CONDENSATE; SUBCRITICAL INSTABILITIES; SLOW PASSAGE; SYSTEMS; WAVES; BIFURCATION; NUCLEATION; DYNAMICS; ROTATION; DELAY AB For a dissipative variant of the two-dimensional Gross-Pitaevskii equation with a parabolic trap under rotation, we study a symmetry breaking process that leads to the formation of vortices. The first symmetry breaking leads to the formation of many small vortices distributed uniformly near the Thomas-Fermi radius. The instability occurs as a result of a linear instability of a vortex-free steady state as the rotation is increased above a critical threshold. We focus on the second subsequent symmetry breaking, which occurs in the weakly nonlinear regime. At slightly above threshold, we derive a one-dimensional amplitude equation that describes the slow evolution of the envelope of the initial instability. We show that the mechanism responsible for initiating vortex formation is a modulational instability of the amplitude equation. We also illustrate the role of dissipation in the symmetry breaking process. All analyses are confirmed by detailed numerical computations. C1 [Tzou, J. C.; Kolokolnikov, T.] Dalhousie Univ, Dept Math & Stat, Halifax, NS B3H 3J5, Canada. [Kevrekidis, P. G.] Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA. [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. [Carretero-Gonzalez, R.] San Diego State Univ, Nonlinear Dynam Syst Grp, Computat Sci Res Ctr, San Diego, CA 92182 USA. [Carretero-Gonzalez, R.] San Diego State Univ, Dept Math & Stat, San Diego, CA 92182 USA. RP Tzou, JC (reprint author), Dalhousie Univ, Dept Math & Stat, Halifax, NS B3H 3J5, Canada. EM tzou.justin@gmail.com; kevrekid@math.umass.edu; tkolokol@gmail.com; rcarretero@mail.sdsu.edu FU AARMS postdoctoral fellowship; NSERC discovery grant [RGPIN-33798, RGPAS/461907]; US-AFOSR [FA950-12-1-0332]; ERC under FP7, Marie Curie Actions, People, International Research Staff Exchange Scheme [IRSES-605096]; U.S. Department of Energy; [NSF-DMS-1312856]; [NSF-DMS-1309035] FX The work of the first author was supported by an AARMS postdoctoral fellowship. The work of the third author was supported by NSERC discovery grant RGPIN-33798 and accelerator supplement grant RGPAS/461907.; The work of this author was supported by NSF-DMS-1312856, by US-AFOSR grant FA950-12-1-0332, and by the ERC under FP7, Marie Curie Actions, People, International Research Staff Exchange Scheme (IRSES-605096). The author's work at Los Alamos was supported in part by the U.S. Department of Energy.; The work of this author was supported by NSF-DMS-1309035. NR 42 TC 0 Z9 0 U1 4 U2 4 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1536-0040 J9 SIAM J APPL DYN SYST JI SIAM J. Appl. Dyn. Syst. PY 2016 VL 15 IS 2 BP 904 EP 922 DI 10.1137/15M1038931 PG 19 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA DY6TV UT WOS:000385262100008 ER PT J AU Lieb, AM Rycroft, CH Wilkening, J AF Lieb, Anna M. Rycroft, Chris H. Wilkening, Jon TI OPTIMIZING INTERMITTENT WATER SUPPLY IN URBAN PIPE DISTRIBUTION NETWORKS SO SIAM JOURNAL ON APPLIED MATHEMATICS LA English DT Article DE fluid mechanics; optimization; water supply; networks ID COUPLING FREE-SURFACE; MIXED FLOWS; DEVELOPING-COUNTRIES; CONSERVATION-LAWS; PRESSURIZED FLOWS; TRANSIENT FLOWS; MODEL; SYSTEMS; TRANSITION; SIMULATION AB In many urban areas of the developing world, piped water is supplied only intermittently, as valves direct water to different parts of the water distribution system at different times. The flow is transient, and may transition between free-surface and pressurized, resulting in complex dynamical features with important consequences for water suppliers and users. Here, we develop a computational model of transition, transient pipe flow in a network, accounting for a wide variety of realistic boundary conditions. We validate the model against several published data sets and demonstrate its use on a real pipe network. The model is extended to consider several optimization problems motivated by realistic scenarios. We demonstrate how to infer water flow in a small pipe network from a single pressure sensor, and show how to control water inflow to minimize damaging pressure transients. C1 [Lieb, Anna M.; Wilkening, Jon] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Lieb, Anna M.; Rycroft, Chris H.; Wilkening, Jon] Lawrence Berkeley Lab, Dept Math, Berkeley, CA 94720 USA. [Rycroft, Chris H.] Harvard Univ, Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA. RP Lieb, AM (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.; Lieb, AM (reprint author), Lawrence Berkeley Lab, Dept Math, Berkeley, CA 94720 USA. EM lieb@math.berkeley.edu; chr@seas.harvard.edu; wilkening@berkeley.edu FU Office of Science, Computational and Technology Research, U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation Graduate Research Fellowship Program [DGE 1106400] FX Received by the editors September 11, 2015; accepted for publication (in revised form) April 1, 2016; published electronically August 9, 2016. This work was supported by the Director, Office of Science, Computational and Technology Research, U.S. Department of Energy under contract DE-AC02-05CH11231, and by the National Science Foundation Graduate Research Fellowship Program under grant DGE 1106400. NR 40 TC 0 Z9 0 U1 0 U2 0 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 2016 VL 76 IS 4 BP 1492 EP 1514 DI 10.1137/15M1038979 PG 23 WC Mathematics, Applied SC Mathematics GA DY3NF UT WOS:000384999800014 ER PT J AU Ghosh, D Constantinescu, EM AF Ghosh, Debojyoti Constantinescu, Emil M. TI SEMI-IMPLICIT TIME INTEGRATION OF ATMOSPHERIC FLOWS WITH CHARACTERISTIC-BASED FLUX PARTITIONING SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE atmospheric flows; nonhydrostatic; compressible; Euler equations; implicit-explicit time integration; characteristic-based splitting ID COMPRESSIBLE EULER EQUATIONS; ESSENTIALLY NONOSCILLATORY SCHEMES; HYPERBOLIC CONSERVATION-LAWS; NONLINEAR COMPACT SCHEMES; NAVIER-STOKES EQUATIONS; RUNGE-KUTTA SCHEMES; EFFICIENT IMPLEMENTATION; DIFFERENCE-SCHEMES; MULTISTEP METHODS; GALERKIN METHODS AB This paper presents a characteristic-based flux partitioning for the semi-implicit time integration of atmospheric flows. Nonhydrostatic models require the solution of the compressible Euler equations. The acoustic time scale is significantly faster than the advective scale, yet it is typically not relevant to atmospheric and weather phenomena. The acoustic and advective components of the hyperbolic flux are separated in the characteristic space. High-order, conservative additive Runge-Kutta methods are applied to the partitioned equations so that the acoustic component is integrated in time implicitly with an unconditionally stable method, while the advective component is integrated explicitly. The time step of the overall algorithm is thus determined by the advective scale. Benchmark flow problems are used to demonstrate the accuracy, stability, and convergence of the proposed algorithm. The computational cost of the partitioned semi-implicit approach is compared with that of explicit time integration. C1 [Ghosh, Debojyoti; Constantinescu, Emil M.] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Ghosh, D (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ghosh@mcs.anl.gov; emconsta@mcs.anl.gov FU U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research [DE-AC02-06CH11357] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research, under contract DE-AC02-06CH11357. This work was performed by an employee of the U.S. Government or under U.S. Government contract. The U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. Copyright is owned by SIAM to the extent not limited by these rights. NR 66 TC 0 Z9 0 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 2016 VL 38 IS 3 BP A1848 EP A1875 DI 10.1137/15M1044369 PG 28 WC Mathematics, Applied SC Mathematics GA DY7AY UT WOS:000385282800026 ER PT J AU Law, KJH Tembine, H Tempone, R AF Law, Kody J. H. Tembine, Hamidou Tempone, Raul TI DETERMINISTIC MEAN-FIELD ENSEMBLE KALMAN FILTERING SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE filtering; Fokker Planck; EnKF ID DATA ASSIMILATION; UNCERTAINTY QUANTIFICATION; POLYNOMIAL CHAOS; CONTINUOUS-TIME; ACCURACY; APPROXIMATION; ALGORITHMS; STABILITY; STATE; ERGODICITY AB The proof of convergence of the standard ensemble Kalman filter (EnKF) from Le Gland, Monbet, and Tran [Large sample asymptotics for the ensemble Kalman filter, in The Oxford Handbook of Nonlinear Filtering, Oxford University Press, Oxford, UK, 2011, pp. 598{631] is extended to non-Gaussian state-space models. A density-based deterministic approximation of the mean-field limit EnKF (DMFEnKF) is proposed, consisting of a PDE solver and a quadrature rule. Given a certain minimal order of convergence kappa between the two, this extends to the deterministic filter approximation, which is therefore asymptotically superior to standard EnKF for dimension d < 2 kappa. The fidelity of approximation of the true distribution is also established using an extension of the total variation metric to random measures. This is limited by a Gaussian bias term arising from nonlinearity/non-Gaussianity of the model, which arises in both deterministic and standard EnKF. Numerical results support and extend the theory. C1 [Law, Kody J. H.; Tembine, Hamidou; Tempone, Raul] KAUST, CEMSE, SRI UQ Ctr, Thuwal 23955, Saudi Arabia. [Law, Kody J. H.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Law, KJH (reprint author), KAUST, CEMSE, SRI UQ Ctr, Thuwal 23955, Saudi Arabia.; Law, KJH (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM lawkj@ornl.gov; hamidou.tembine@kaust.edu.sa; raul.tempone@kaust.edu.sa OI Law, Kody/0000-0003-3133-2537 FU ORNL LDRD Strategic Hire grant [32112580] FX This author's work was supported in part by an ORNL LDRD Strategic Hire grant 32112580. NR 60 TC 0 Z9 0 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 2016 VL 38 IS 3 BP A1251 EP A1279 DI 10.1137/140984415 PG 29 WC Mathematics, Applied SC Mathematics GA DY7AY UT WOS:000385282800001 ER PT J AU Li, RP Xi, YZ Vecharynski, E Yang, C Saad, Y AF Li, Ruipeng Xi, Yuanzhe Vecharynski, Eugene Yang, Chao Saad, Yousef TI A THICK-RESTART LANCZOS ALGORITHM WITH POLYNOMIAL FILTERING FOR HERMITIAN EIGENVALUE PROBLEMS SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE Lanczos algorithm; polynomial filtering; thick-restart; deflation; spectrum slicing; interior eigenvalue problems ID ELECTRONIC-STRUCTURE CALCULATIONS; SCHMIDT ORTHOGONALIZATION PROCESS; SUBSPACE ITERATION; ERROR ANALYSIS; MATRICES; REORTHOGONALIZATION AB Polynomial filtering can provide a highly effective means of computing all eigenvalues of a real symmetric (or complex Hermitian) matrix that are located in a given interval, anywhere in the spectrum. This paper describes a technique for tackling this problem by combining a thick restart version of the Lanczos algorithm with deflation ("locking") and a new type of polynomial filter obtained from a least-squares technique. The resulting algorithm can be utilized in a "spectrum slicing" approach whereby a very large number of eigenvalues and associated eigenvectors of the matrix are computed by extracting eigenpairs located in different subintervals independently from one another. C1 [Li, Ruipeng] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. [Xi, Yuanzhe; Saad, Yousef] Univ Minnesota Twin Cities, Dept Comp Sci & Engn, Minneapolis, MN 55455 USA. [Vecharynski, Eugene; Yang, Chao] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Li, RP (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. EM li50@llnl.gov; yxi@cs.umn.edu; evecharynski@lbl.gov; cyang@lbl.gov; saad@cs.umn.edu FU U.S. Department of Energy, Lawrence Livermore National Laboratory [DE-AC52-07NA27344 (LLNL-JRNL-685856)]; Scientific Discovery Through Advanced Computing (SciDAC) program - U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research, and Basic Energy Sciences [DE-SC0008877]; Scientific Discovery Through Advanced Computing (SciDAC) program - U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research [DE-AC02-05CH11231]; High-Performance Computing FX The work of the first author was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344 (LLNL-JRNL-685856). The work of the second author was supported by the High-Performance Computing, and the Scientific Discovery Through Advanced Computing (SciDAC) program funded by U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research, and Basic Energy Sciences DE-SC0008877. The work of the third and fourth authors was partially supported through the Scientific Discovery Through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research DE-AC02-05CH11231. NR 38 TC 0 Z9 0 U1 1 U2 1 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 2016 VL 38 IS 4 BP A2512 EP A2534 DI 10.1137/15M1054493 PG 23 WC Mathematics, Applied SC Mathematics GA DY7BE UT WOS:000385283400025 ER PT J AU Adams, MF Brown, J Knepley, M Samtaney, R AF Adams, Mark F. Brown, Jed Knepley, Matt Samtaney, Ravi TI SEGMENTAL REFINEMENT: A MULTIGRID TECHNIQUE FOR DATA LOCALITY SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE multigrid; parallel multigrid; distributed memory multigrid; segmental refinement ID EQUATIONS AB We investigate a domain decomposed multigrid technique, termed segmental refinement, for solving general nonlinear elliptic boundary value problems. We extend the method first proposed in 1994 by analytically and experimentally investigating its complexity. We confirm that communication of traditional parallel multigrid is eliminated on fine grids, with modest amounts of extra work and storage, while maintaining the asymptotic exactness of full multigrid. We observe an accuracy dependence on the segmental refinement subdomain size, which was not considered in the original analysis. We present a communication complexity analysis that quantifies the communication costs ameliorated by segmental refinement and report performance results with up to 64K cores on a Cray XC30. C1 [Adams, Mark F.] Lawrence Berkeley Lab, Scalable Solvers Grp, Berkeley, CA 94720 USA. [Brown, Jed] Univ Colorado, Dept Comp Sci, Boulder, CO 80309 USA. [Knepley, Matt] Rice Univ, Computat & Appl Math, Houston, TX 77005 USA. [Samtaney, Ravi] King Abdullah Univ Sci & Technol, Thuwal 23955, Saudi Arabia. RP Adams, MF (reprint author), Lawrence Berkeley Lab, Scalable Solvers Grp, Berkeley, CA 94720 USA. EM mfadams@lbl.gov; jedbrown@mcs.anl.gov; knepley@gmail.com; ravi.samtaney@kaust.edu.sa FU U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research; U.S. Department of Energy by Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; U.S. Department of Energy's Advanced Scientific Computing Research Program [DEAC02-05CH11231] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, and performed under the auspices of the U.S. Department of Energy by Lawrence Berkeley National Laboratory under contract DE-AC02-05CH11231. This research used resources of the National Energy Research Scientific Computing Center, which is a DOE Office of Science User Facility. Authors from Lawrence Berkeley National Laboratory were supported by the U.S. Department of Energy's Advanced Scientific Computing Research Program under contract DEAC02-05CH11231. NR 16 TC 1 Z9 1 U1 0 U2 0 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2016 VL 38 IS 4 BP C426 EP C440 DI 10.1137/140975127 PG 15 WC Mathematics, Applied SC Mathematics GA DY7BE UT WOS:000385283400038 ER PT J AU Agullo, E Amestoy, PR Buttari, A Guermouche, A L'Excellent, JY Rouet, FH AF Agullo, Emmanuel Amestoy, Patrick R. Buttari, Alfredo Guermouche, Abdou L'Excellent, Jean-Yves Rouet, Francois-Henry TI ROBUST MEMORY-AWARE MAPPINGS FOR PARALLEL MULTIFRONTAL FACTORIZATIONS SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE sparse matrix algorithms; direct methods; task scheduling ID SPARSE CHOLESKY FACTORIZATION; LINEAR-EQUATIONS; ELIMINATION; SYSTEMS; SOLVER AB We study the memory scalability of the parallel multifrontal factorization of sparse matrices. In particular, we are interested in controlling the active memory specific to the multifrontal factorization. We illustrate why commonly used mapping strategies (e.g., the proportional mapping) cannot provide a high memory efficiency, which means that they tend to let the memory usage of the factorization grow when the number of processes increases. We propose "memory-aware" algorithms that aim at maximizing the granularity of parallelism while respecting memory constraints. These algorithms provide accurate memory estimates prior to the factorization and can significantly enhance the robustness of a multifrontal code. We illustrate our approach with experiments performed on large matrices. C1 [Agullo, Emmanuel] INRIA LaBRI, Bordeaux, France. [Amestoy, Patrick R.; Rouet, Francois-Henry] Univ Toulouse, INPT ENSEEIHT IRIT, F-31071 Toulouse, France. [Buttari, Alfredo] CNRS IRIT, F-31000 Toulouse, France. [Guermouche, Abdou] Univ Bordeaux 1, LaBRI, F-33905 Talence, France. [L'Excellent, Jean-Yves] Univ Lyon, INRIA, F-69364 Lyon, France. [L'Excellent, Jean-Yves] ENS Lyon, F-69364 Lyon, France. [Rouet, Francois-Henry] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Agullo, E (reprint author), INRIA LaBRI, Bordeaux, France. EM emmanuel.agullo@inria.fr; amestoy@enseeiht.fr; alfredo.buttari@enseeiht.fr; abdou.guermouche@labri.fr; jean-yves.l.excellent@ens-lyon.fr; fhrouet@lbl.gov NR 26 TC 1 Z9 1 U1 0 U2 0 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2016 VL 38 IS 3 BP C256 EP C279 DI 10.1137/130938505 PG 24 WC Mathematics, Applied SC Mathematics GA DY7AY UT WOS:000385282800040 ER PT J AU Aupy, G Herrmann, J Hovland, P Robert, Y AF Aupy, Guillaume Herrmann, Julien Hovland, Paul Robert, Yves TI OPTIMAL MULTISTAGE ALGORITHM FOR ADJOINT COMPUTATION SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE optimal algorithms; checkpointing; adjoint computation; program reversal; automatic differentiation ID DIFFERENTIATION AB We reexamine the work of Stumm and Walther on multistage algorithms for adjoint computation. We provide an optimal algorithm for this problem when there are two levels of checkpoints, in memory and on disk. Previously, optimal algorithms for adjoint computations were known only for a single level of checkpoints with no writing and reading costs; a well-known example is the binomial checkpointing algorithm of Griewank and Walther. Stumm and Walther extended that binomial checkpointing algorithm to the case of two levels of checkpoints, but they did not provide any optimality results. We bridge the gap by designing the first optimal algorithm in this context. We experimentally compare our optimal algorithm with that of Stumm and Walther to assess the difference in performance. C1 [Aupy, Guillaume; Herrmann, Julien; Robert, Yves] ENS Lyon, INRIA, LIP, F-69364 Lyon 07, France. [Aupy, Guillaume] Vanderbilt Univ, 221 Kirkland Hall, Nashville, TN 37235 USA. [Hovland, Paul] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Robert, Yves] Univ Tennessee, Knoxville, TN 37996 USA. RP Aupy, G (reprint author), ENS Lyon, INRIA, LIP, F-69364 Lyon 07, France.; Aupy, G (reprint author), Vanderbilt Univ, 221 Kirkland Hall, Nashville, TN 37235 USA. EM guillaume.aupy@ens-lyon.org; julien.herrmann@ens-lyon.fr; hovland@mcs.anl.gov; yves.robert@inria.fr NR 9 TC 0 Z9 0 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 2016 VL 38 IS 3 BP C232 EP C255 DI 10.1137/15M1019222 PG 24 WC Mathematics, Applied SC Mathematics GA DY7AY UT WOS:000385282800039 ER PT J AU Rallard, G Siefer, C Hu, J AF Rallard, Grey Siefer, Christopher Hu, Jonathan TI REDUCING COMMUNICATION COSTS FOR SPARSE MATRIX MULTIPLICATION WITHIN ALGEBRAIC MULTIGRID SO SIAM JOURNAL ON SCIENTIFIC COMPUTING LA English DT Article DE parallel spar matrix-matrix multiplication; algebraic multigrid setup phase; outer-product algorithm ID TRILINOS PROJECT; GPU AB We consider the sequence of sparse matrix-matrix multiplications performed during the setup phase of algebraic multigrid. In particular, we show that the most commonly used parallel algorithm is often not the TIC Pit communication-efficient one for all of the matrix-Matrix multiplications involved. By using an alternative algorithm, we show that the communication costs are reduced (in theory and practice), and we demonstrate the performance benefit for both model (structured) and more realistic unstructured problems on large-scale distributed-memory parallel systems. Our theoretical analysis shows that we can reduce communication by a factor of up to 5.4 for a model problem, and we observe in our empirical evaluation communication reductions of factors up to 4.7 for structured problems and 3.7 for unstructured problems. These reductions in communication translate to run-time speedups of factors up to 2.8 and 2.5, respectively. C1 [Rallard, Grey; Hu, Jonathan] Sandia Natl Labs, Livermore, CA 94550 USA. [Siefer, Christopher] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Rallard, G (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM gmballa@sandia.gov; csiefor@sandia.gov; jhu@sandia.gov NR 26 TC 1 Z9 1 U1 2 U2 2 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1064-8275 EI 1095-7197 J9 SIAM J SCI COMPUT JI SIAM J. Sci. Comput. PY 2016 VL 38 IS 3 BP C203 EP C231 DI 10.1137/15M1028807 PG 29 WC Mathematics, Applied SC Mathematics GA DY7AY UT WOS:000385282800038 ER PT S AU Liu, WY Zhang, YG Pal, S Gang, O AF Liu, Wenyan Zhang, Yugang Pal, Suchetan Gang, Oleg BE Likos, CN Sciortino, F Ziherl, P Zaccarelli, E TI DNA-based nanoscale self-assembly SO SOFT MATTER SELF-ASSEMBLY SE Proceedings of the International School of Physics Enrico Fermi LA English DT Proceedings Paper CT International School of Physics Enrico Fermi CY JUN 29-JUL 07, 2015 CL ITALY ID NUCLEIC-ACID JUNCTIONS; MODIFIED GOLD NANOPARTICLES; SHAPE-CONTROLLED SYNTHESIS; SINGLE-STRANDED-DNA; QUANTUM DOTS; CLICK-CHEMISTRY; SILVER NANOPARTICLES; BUILDING-BLOCKS; COLLOIDAL CRYSTALLIZATION; BIOLOGICAL MOLECULES AB One of the crucial challenges in nanoscience is gaining control over the formation of the desired nanoscale structures. Such structural control provides access to the novel material functions. While many functional nanoscale blocks are inorganic, soft matter components, i.e. surfactants, macromolecules, polymers, and biopolymers, can play an important role in defining structures formed from those blocks via self-assembly. In recent years DNA-based self-assembly approaches emerged as powerful means for nanoscale fabrications: DNA can direct inter-particle binding, can be used as a scaffold for particle positioning and can regulate a structural self-assembly. We review here the major areas of DNA-based nanoscale self-assembly, including systems formed purely from the DNA strands and structures formed by particles with the help of DNA. The methods for particles functionalized with DNA are elaborated. The assembly approaches that exploit DNA programmability for the creation of desired clusters, lattices and dynamically tunable systems are discussed. C1 [Liu, Wenyan; Zhang, Yugang; Pal, Suchetan; Gang, Oleg] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Liu, WY (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. NR 209 TC 0 Z9 0 U1 3 U2 3 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0074-784X BN 978-1-61499-662-0; 978-1-61499-661-3 J9 P INT SCH PHYS PY 2016 VL 193 BP 331 EP 382 DI 10.3254/978-1-61499-662-0-331 PG 52 WC Physics, Condensed Matter SC Physics GA BF8WY UT WOS:000385238700010 ER PT S AU Ishino, H Akiba, Y Arnold, K Barron, D Borrill, J Chendra, R Chinone, Y Cho, S Cukierman, A de Haan, T Dobbs, M Dominjon, A Dotani, T Elleflot, T Errard, J Fujino, T Fuke, H Funaki, T Goeckner-Wald, N Halverson, N Harvey, P Hasebe, T Hasegawa, M Hattori, K Hattori, M Hazumi, M Hidehira, N Hill, C Hilton, G Holzapfel, W Hori, Y Hubmayr, J Ichiki, K Imada, H Inatani, J Inoue, M Inoue, Y Trie, F Irwin, K Ishitsuka, H Jeong, O Kanai, H Karatsu, K Kashima, S Katayama, N Kawano, I Kawasaki, T Keating, B Kernasovskiy, S Keskitalo, R Kibayashi, A Kida, Y Kimura, N Kimura, K Kisner, T Kohri, K Komatsu, E Komatsu, K Kuo, CL Kuromiya, S Kusaka, A Lee, A Li, D Linder, E Maki, M Matsuhara, H Matsumura, T Matsuoka, S Matsuura, S Mima, S Minami, Y Mitsuda, K Nagai, M Nagasaki, T Nagata, R Nakajima, M Nakamura, S Namikawa, T Naruse, M Nishibori, T Nishijo, K Nishino, H Noda, A Noguchi, T Ogawa, H Ogburn, W Oguri, S Ohta, I Okada, N Okamoto, A Okamura, T Otani, C Pisano, G Rebeiz, G Richards, P Sakai, S Sakurai, Y Sato, Y Sato, N Segawa, Y Sekiguchi, S Sekimoto, Y Sekine, M Seljak, U Sherwin, B Shimizu, T Shinozaki, K Shu, S Stompor, R Sugai, H Sugita, H Suzuki, J Suzuki, T Suzuki, A Tajima, O Takada, S Takakura, S Takano, K Takatori, S Takei, Y Tanabe, D Tomaru, T Tomita, N Turin, P Uozumi, S Utsunomiya, S Uzawa, Y Wada, T Watanabe, H Westbrook, B Whitehorn, N Yamada, Y Yamamoto, R Yamasaki, N Yamashita, T Yoshida, T Yoshida, M Yotsumoto, K AF Ishino, H. Akiba, Y. Arnold, K. Barron, D. Borrill, J. Chendra, R. Chinone, Y. Cho, S. Cukierman, A. de Haan, T. Dobbs, M. Dominjon, A. Dotani, T. Elleflot, T. Errard, J. Fujino, T. Fuke, H. Funaki, T. Goeckner-Wald, N. Halverson, N. Harvey, P. Hasebe, T. Hasegawa, M. Hattori, K. Hattori, M. Hazumi, M. Hidehira, N. Hill, C. Hilton, G. Holzapfel, W. Hori, Y. Hubmayr, J. Ichiki, K. Imada, H. Inatani, J. Inoue, M. Inoue, Y. Trie, F. Irwin, K. Ishitsuka, H. Jeong, O. Kanai, H. Karatsu, K. Kashima, S. Katayama, N. Kawano, I. Kawasaki, T. Keating, B. Kernasovskiy, S. Keskitalo, R. Kibayashi, A. Kida, Y. Kimura, N. Kimura, K. Kisner, T. Kohri, K. Komatsu, E. Komatsu, K. Kuo, C. -L. Kuromiya, S. Kusaka, A. Lee, A. Li, D. Linder, E. Maki, M. Matsuhara, H. Matsumura, T. Matsuoka, S. Matsuura, S. Mima, S. Minami, Y. Mitsuda, K. Nagai, M. Nagasaki, T. Nagata, R. Nakajima, M. Nakamura, S. Namikawa, T. Naruse, M. Nishibori, T. Nishijo, K. Nishino, H. Noda, A. Noguchi, T. Ogawa, H. Ogburn, W. Oguri, S. Ohta, I. Okada, N. Okamoto, A. Okamura, T. Otani, C. Pisano, G. Rebeiz, G. Richards, P. Sakai, S. Sakurai, Y. Sato, Y. Sato, N. Segawa, Y. Sekiguchi, S. Sekimoto, Y. Sekine, M. Seljak, U. Sherwin, B. Shimizu, T. Shinozaki, K. Shu, S. Stompor, R. Sugai, H. Sugita, H. Suzuki, J. Suzuki, T. Suzuki, A. Tajima, O. Takada, S. Takakura, S. Takano, K. Takatori, S. Takei, Y. Tanabe, D. Tomaru, T. Tomita, N. Turin, P. Uozumi, S. Utsunomiya, S. Uzawa, Y. Wada, T. Watanabe, H. Westbrook, B. Whitehorn, N. Yamada, Y. Yamamoto, R. Yamasaki, N. Yamashita, T. Yoshida, T. Yoshida, M. Yotsumoto, K. BE MacEwen, HA Fazio, GG Lystrup, M TI LiteBIRD, Lite satellite for the study of B-mode polarization and Inflation from cosmic microwave background Radiation Detection SO SPACE TELESCOPES AND INSTRUMENTATION 2016: OPTICAL, INFRARED, AND MILLIMETER WAVE SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Space Telescopes and Instrumentation - Optical, Infrared, and Millimeter Wave CY JUN 26-JUL 01, 2016 CL Edinburgh, SCOTLAND SP SPIE DE Cosmic Microwave Background; LiteBIRD; B-mode polarization ID NEXT-GENERATION; POLARIMETERS AB LiteBIRD is a next generation satellite aiming for the detection of the Cosmic Microwave Background (CMB) B-mode polarization imprinted by the primordial gravitational waves generated in the era of the inflationary universe. The science goal of LiteBIRD is to measure the tensor-to-scaler ratio r with a precision of delta r < 10(-3), offering us a crucial test of the major large-single-field slow-roll inflation models. LiteBIRD is planned to conduct an all sky survey at the sun-earth second Lagrange point (L2) with an angular resolution of about 0.5 degrees to cover the multipole moment range of 2 <= l <= 200. We use focal plane detector arrays consisting of 2622 superconducting detectors to measure the frequency range from 40 to 400 GHz with the sensitivity of 2.5 mu K.arcmin. We report an overview and the status of the project, including the ongoing studies. C1 [Ishino, H.; Funaki, T.; Hidehira, N.; Kibayashi, A.; Kida, Y.; Komatsu, K.; Uozumi, S.; Yamada, Y.] Okayama Univ, Okayama, Japan. [Akiba, Y.; Inoue, Y.; Ishitsuka, H.; Segawa, Y.; Takatori, S.; Tanabe, D.; Watanabe, H.] Grad Univ Adv Studies SOKENDAI, Hayama, Japan. [Arnold, K.] Univ Wisconsin, Madison, WI 53706 USA. [Barron, D.; Borrill, J.; Chinone, Y.; Cukierman, A.; de Haan, T.; Goeckner-Wald, N.; Harvey, P.; Hill, C.; Holzapfel, W.; Hori, Y.; Jeong, O.; Keskitalo, R.; Kisner, T.; Lee, A.; Linder, E.; Richards, P.; Seljak, U.; Sherwin, B.; Shimizu, T.; Shu, S.; Suzuki, A.; Tomita, N.; Turin, P.; Westbrook, B.; Whitehorn, N.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Borrill, J.; Kusaka, A.; Linder, E.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Chendra, R.; Matsuoka, S.] Tokyo Inst Technol, Tokyo, Japan. [Cho, S.; Irwin, K.; Kernasovskiy, S.; Kuo, C. -L.; Li, D.; Namikawa, T.; Ogburn, W.] Stanford Univ, Stanford, CA 94305 USA. [Dobbs, M.] McGill Univ, Montreal, PQ, Canada. [Dominjon, A.; Hasebe, T.; Inatani, J.; Karatsu, K.; Kashima, S.; Noguchi, T.; Sekimoto, Y.; Sekine, M.] Natl Astron Observ Japan, Mitaka, Tokyo, Japan. [Dotani, T.; Fuke, H.; Imada, H.; Kawano, I.; Matsuhara, H.; Matsumura, T.; Mitsuda, K.; Nishibori, T.; Nishijo, K.; Noda, A.; Okamoto, A.; Sakai, S.; Sato, Y.; Shinozaki, K.; Sugita, H.; Takei, Y.; Utsunomiya, S.; Wada, T.; Yamamoto, R.; Yamasaki, N.; Yoshida, T.; Yotsumoto, K.] Japan Aerosp Explorat Agcy JAXA, Tokyo, Japan. [Elleflot, T.; Keating, B.; Rebeiz, G.] Univ Calif San Diego, San Diego, CA 92103 USA. [Errard, J.] ILP, Paris, France. [Fujino, T.; Trie, F.; Kanai, H.; Nakamura, S.; Yamashita, T.] Yokohama Natl Univ, Yokohama, Kanagawa, Japan. [Halverson, N.] Univ Colorado, Boulder, CO 80309 USA. [Hasegawa, M.; Hazumi, M.; Kimura, N.; Kohri, K.; Maki, M.; Minami, Y.; Nagasaki, T.; Nagata, R.; Nishino, H.; Oguri, S.; Okamura, T.; Sato, N.; Suzuki, J.; Suzuki, T.; Tajima, O.; Tomaru, T.; Yoshida, M.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki, Japan. [Hattori, K.; Katayama, N.; Sakurai, Y.; Sugai, H.] Kavli Inst Phys & Math Universe IPMU, Kashiwa, Chiba, Japan. [Hattori, M.] Tohoku Univ, Sendai, Miyagi, Japan. [Hilton, G.; Hubmayr, J.] NIST, Boulder, CO USA. [Ichiki, K.] Nagoya Univ, Nagoya, Aichi, Japan. [Inoue, M.; Kimura, K.; Ogawa, H.; Okada, N.] Osaka Prefecture Univ, Sakai, Osaka, Japan. [Kawasaki, T.] Kitasato Univ, Tokyo, Japan. [Komatsu, E.] Max Planck Inst Astrophys, Garching, Germany. [Kuromiya, S.; Nakajima, M.; Takakura, S.; Takano, K.] Osaka Univ, Suita, Osaka, Japan. [Matsuura, S.] Kansei Gakuin Univ, Nishinomiya, Hyogo, Japan. [Mima, S.; Otani, C.] RIKEN, Wako, Saitama, Japan. [Nagai, M.] Univ Tsukuba, Tsukuba, Ibaraki, Japan. [Naruse, M.] Saitama Univ, Saitama, Japan. [Ohta, I.] Konan Univ, Kobe, Hyogo, Japan. [Pisano, G.] Cardiff Univ, Cardiff, S Glam, Wales. [Tomita, N.] Univ Tokyo, Tokyo, Japan. [Stompor, R.] Astroparticle & Cosmol APC Lab, Paris, France. [Takada, S.] NIFS, Tokyo, Japan. [Uzawa, Y.] Natl Inst Informat & Commun Technol NICT, Tokyo, Japan. RP Ishino, H (reprint author), Okayama Univ, Okayama, Japan. EM scishino@s.okayama-u.ac.jp RI Nakajima, Makoto/A-1333-2016; OI Nakajima, Makoto/0000-0002-0351-2197; Chinone, Yuji/0000-0002-3266-857X NR 16 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 978-1-5106-0187-1; 978-1-5106-0188-8 J9 PROC SPIE PY 2016 VL 9904 AR UNSP 99040X DI 10.1117/12.2231995 PG 8 WC Instruments & Instrumentation; Optics SC Instruments & Instrumentation; Optics GA BF9PT UT WOS:000385794100029 ER PT J AU Smolensky, D Rathore, K Cekanova, M AF Smolensky, Dmitriy Rathore, Kusum Cekanova, Maria TI Molecular targets in urothelial cancer: detection, treatment, and animal models of bladder cancer SO DRUG DESIGN DEVELOPMENT AND THERAPY LA English DT Review DE bladder cancer; transitional cell carcinoma; signaling pathways; clinical trials ID TRANSITIONAL-CELL-CARCINOMA; WHITE-LIGHT CYSTOSCOPY; HEXAMINOLEVULINATE FLUORESCENCE CYSTOSCOPY; HISTONE-DEACETYLASE INHIBITOR; ALTERNATIVE GENETIC PATHWAYS; POTENT ANTITUMOR-ACTIVITY; FIBROBLAST-GROWTH-FACTOR; HEAT-SHOCK PROTEINS; PHASE-III TRIAL; TERM-FOLLOW-UP AB Bladder cancer remains one of the most expensive cancers to treat in the United States due to the length of required treatment and degree of recurrence. In order to treat bladder cancer more effectively, targeted therapies are being investigated. In order to use targeted therapy in a patient, it is important to provide a genetic background of the patient. Recent advances in genome sequencing, as well as transcriptome analysis, have identified major pathway components altered in bladder cancer. The purpose of this review is to provide a broad background on bladder cancer, including its causes, diagnosis, stages, treatments, animal models, as well as signaling pathways in bladder cancer. The major focus is given to the PI3K/AKT pathway, p53/pRb signaling pathways, and the histone modification machinery. Because several promising immunological therapies are also emerging in the treatment of bladder cancer, focus is also given on general activation of the immune system for the treatment of bladder cancer. C1 [Smolensky, Dmitriy; Rathore, Kusum; Cekanova, Maria] Univ Tennessee, Coll Vet Med, Dept Small Anim Clin Sci, 2407 River Dr A122, Knoxville, TN 37996 USA. [Smolensky, Dmitriy; Cekanova, Maria] Univ Tennessee, UT ORNL Grad Sch Genome Sci & Technol, Knoxville, TN USA. RP Cekanova, M (reprint author), Univ Tennessee, Coll Vet Med, Dept Small Anim Clin Sci, 2407 River Dr A122, Knoxville, TN 37996 USA. EM mcekanov@utk.edu OI Cekanova, Maria/0000-0002-9651-1619 FU National Institute of Health [R15-CA182850-01A1]; University of Tennessee the Center of Excellence in Livestock Diseases and Human Health [R181721333]; Department of Small Animal Clinical Sciences [E180120] FX We thank the National Institute of Health (R15-CA182850-01A1; PI: Cekanova), the University of Tennessee the Center of Excellence in Livestock Diseases and Human Health grants (R181721333; PI: Cekanova), and Department of Small Animal Clinical Sciences (E180120; PI: Cekanova) for supporting this research. NR 219 TC 0 Z9 0 U1 2 U2 2 PU DOVE MEDICAL PRESS LTD PI ALBANY PA PO BOX 300-008, ALBANY, AUCKLAND 0752, NEW ZEALAND SN 1177-8881 J9 DRUG DES DEV THER JI Drug Des. Dev. Ther. PY 2016 VL 10 BP 3305 EP 3322 DI 10.2147/DDDT.S112113 PG 18 WC Chemistry, Medicinal; Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA DY6HC UT WOS:000385206000001 PM 27784990 ER PT J AU Zhou, TH Du, YH Yin, SM Tian, XZ Yang, HB Wang, X Liu, B Zheng, HM Qiao, SZ Xu, R AF Zhou, Tianhua Du, Yonghua Yin, Shengming Tian, Xuezeng Yang, Hongbin Wang, Xin Liu, Bin Zheng, Haimei Qiao, Shizhang Xu, Rong TI Nitrogen-doped cobalt phosphate@nanocarbon hybrids for efficient electrocatalytic oxygen reduction SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID METAL-ORGANIC FRAMEWORK; IN-SITU FORMATION; PROTON CONDUCTION; HIGH-PERFORMANCE; WATER OXIDATION; ALUMINUM PHOSPHATE; HIGHLY EFFICIENT; CARBON; GRAPHENE; CATALYSTS AB The development of efficient non-noble metal electrocatalysts for the oxygen reduction reaction (ORR) is still highly desirable before non-noble metal catalysts can replace platinumcatalysts. Herein, we have synthesized a new type of ORR catalyst, Co-3(PO4)(2)C-N/rGOA, containing N-coordinated cobalt phosphate, through the thermal treatment of a phosphonate-basedmetal-organic framework (MOF). Co-3(PO4)(2)C-N/rGOA exhibits not only a comparable onset potential and half-wave potential but also superior stability to the commercial Pt/C catalyst for the ORR in alkaline solutions (0.1 and 1.0 M KOH). A combination of structural characterization (e.g., XPS, HRTEM, XANES, and EXAFS) and electrochemical analysis shows that the high ORR activity of the Co-3(PO4)(2)C-N/rGOA catalyst should be attributed to the co-existence of N-doped graphitic carbon and the cobalt phosphate with Co-N species that boost the activity of the cobalt phosphate. These findings open an avenue for exploring the use of phosphonate-based MOFs for energy conversion and storage applications. C1 [Zhou, Tianhua; Yin, Shengming; Yang, Hongbin; Wang, Xin; Liu, Bin; Xu, Rong] Nanyang Technol Univ, Sch Chem & Biomed Engn, 62 Nanyang Dr, Singapore 637459, Singapore. [Du, Yonghua] Inst Chem & Engn Sci, 1 Pesek Rd, Jurong Isl 627833, Singapore. [Tian, Xuezeng; Zheng, Haimei] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Qiao, Shizhang] Univ Adelaide, Sch Chem Engn, Adelaide, SA 5005, Australia. [Qiao, Shizhang] Tianjin Univ, Sch Mat Sci & Engn, Tianjin 300072, Peoples R China. [Xu, Rong] Natl Res Fdn, SinBeRISE CREATE, CREATE Tower Level 11,1 Create Way, Singapore 138602, Singapore. RP Xu, R (reprint author), Nanyang Technol Univ, Sch Chem & Biomed Engn, 62 Nanyang Dr, Singapore 637459, Singapore.; Qiao, SZ (reprint author), Univ Adelaide, Sch Chem Engn, Adelaide, SA 5005, Australia.; Qiao, SZ (reprint author), Tianjin Univ, Sch Mat Sci & Engn, Tianjin 300072, Peoples R China.; Xu, R (reprint author), Natl Res Fdn, SinBeRISE CREATE, CREATE Tower Level 11,1 Create Way, Singapore 138602, Singapore. EM s.qiao@adelaide.edu.au; rxu@ntu.edu.sg RI Zhou, Tianhua/C-7826-2012; Qiao, Shizhang /A-6057-2010; Xu, Rong/G-6204-2010 OI Zhou, Tianhua/0000-0002-7858-0047; Qiao, Shizhang /0000-0002-4568-8422; FU National Research Foundation (NRF), Prime Minister's Office, Singapore under its Campus for Research Excellence and Technological Enterprise (CREATE) programme: The Singapore-Berkeley Research Initiative for Sustainable Energy (SinBeRISE) FX This research project is funded by the National Research Foundation (NRF), Prime Minister's Office, Singapore under its Campus for Research Excellence and Technological Enterprise (CREATE) programme: The Singapore-Berkeley Research Initiative for Sustainable Energy (SinBeRISE). The authors greatly thank Prof. Z. Chen and Dr D. P. Wang for TEM measurements, Dr L. Zheng for the XANES and EXAFS experiments, Dr W. Yan for the BET experiments, and Dr B. Xia for discussion. NR 53 TC 3 Z9 3 U1 90 U2 90 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 2016 VL 9 IS 8 BP 2563 EP 2570 DI 10.1039/c6ee01297c PG 8 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA DY2KO UT WOS:000384921700009 ER PT B AU Wereszczak, AA AF Wereszczak, Andrew A. BE Ohji, T Singh, M TI CUSTOM MECHANICAL STRENGTH TEST SPECIMENS FOR BRITTLE MATERIALS AND THEIR COMPONENTS SO ENGINEERED CERAMICS: CURRENT STATUS AND FUTURE PROSPECTS LA English DT Article; Book Chapter DE tensile failure stress; strength testing; Weibull distribution, strength-limiting flaw, ceramic balls; brittle substrates; brittle tubes; brittle thermoelectrics; piezoceramics; laser shock ID TENSILE-STRENGTH AB When conventional or standardized test methods cannot be used, it becomes necessary to develop customized test methods to evaluate the mechanical properties of brittle materials used in structural applications. This chapter presents several examples of customized and unconventional test methods used successfully to evaluate the tensile strength of brittle materials. These test methods include the C-sphere, sectored flexural, serpentine bending, anticlastic bending, miniature bend bar, concurrent electric field and ball-on-ring, and laser shock tests. Each of the tests is briefly overviewed in context to the application that motivated their development and the sought applied tensile stress state. C1 [Wereszczak, Andrew A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Wereszczak, AA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. NR 19 TC 0 Z9 0 U1 1 U2 1 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-10041-6; 978-1-119-10040-9 PY 2016 BP 29 EP 45 D2 10.1002/9781119100430 PG 17 WC Materials Science, Ceramics SC Materials Science GA BF7FF UT WOS:000384001300003 ER PT B AU Lara-Curzio, E Radovic, M Luttrell, CR AF Lara-Curzio, Edgar Radovic, Miladin Luttrell, Claire R. BE Ohji, T Singh, M TI APPLICABILITY OF PROBABILISTIC ANALYSES TO ASSESS THE STRUCTURAL RELIABILITY OF MATERIALS AND COMPONENTS FOR SOLID-OXIDE FUEL CELLS SO ENGINEERED CERAMICS: CURRENT STATUS AND FUTURE PROSPECTS LA English DT Article; Book Chapter DE Reliability; solid-oxide fuel cell; SOFC; Probabilistic Analysis; CARES AB The applicability of probabilistic analyses to assess the structural reliability of materials and components for solid-oxide fuel cells (SOFCs) is investigated by measuring the failure rate of Ni-YSZ when subjected to a temperature gradient and comparing it with that predicted using the Ceramics Analysis and Reliability Evaluation of Structures (CARES) code. The use of a temperature gradient to induce stresses was chosen because temperature gradients resulting from gas flow patterns generate stresses during SOFC operation that are likely to control the structural reliability of cell components. The magnitude of the predicted failure rate was found to be comparable with that determined experimentally, which suggests that such probabilistic analyses are appropriate for predicting the structural reliability of materials and components for SOFCs. Considerations for performing more comprehensive studies are discussed. C1 [Lara-Curzio, Edgar] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Radovic, Miladin] Texas A&M Univ, Dept Mech Engn & Mat Sci & Engn, College Stn, TX USA. [Luttrell, Claire R.] Oak Ridge Natl Lab, Elect & Elect Syst Res Div, Oak Ridge, TN USA. RP Lara-Curzio, E (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. NR 13 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-10041-6; 978-1-119-10040-9 PY 2016 BP 46 EP 58 D2 10.1002/9781119100430 PG 13 WC Materials Science, Ceramics SC Materials Science GA BF7FF UT WOS:000384001300004 ER PT B AU Singh, D Ganga, R Gaviria, J Yusufoglu, Y AF Singh, Dileep Ganga, Roopa Gaviria, Jose Yusufoglu, Yusuf BE Ohji, T Singh, M TI CHEMICALLY BONDED PHOSPHATE CERAMICS: STABILIZATION OF SECONDARY WASTES STREAMS SO ENGINEERED CERAMICS: CURRENT STATUS AND FUTURE PROSPECTS LA English DT Article; Book Chapter DE waste form; tank waste; chemically bonded ceramics; leaching; radionuclide; hazardous AB As part of the cleanup at the Hanford Site, the approach being taken is to convert the radioactive and hazardous wastes, currently stored in tanks, into stable glass waste forms for disposal. It is expected that processing of the tank wastes will generate secondary wastes, including routine solid wastes and liquid process effluents. The liquid-effluent secondary wastes will be treated/evaporate to generate evaporator concentrate that would require a low-temperature stabilization/solidification into a waste form. As part of this work, feasibility of a chemically bonded phosphate ceramic, which sets at room temperature, is investigated as a waste form. Using typical formulations of the secondary wastes, forms were fabricated at various loadings and evaluated for compressive strength, leaching, and long-term water immersion stability. Furthermore, leaching of radionuclides such as Tc-99 and I-129 was evaluated using their surrogates. C1 [Singh, Dileep; Ganga, Roopa; Gaviria, Jose; Yusufoglu, Yusuf] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Singh, D (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 8 TC 0 Z9 0 U1 1 U2 1 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA BN 978-1-119-10041-6; 978-1-119-10040-9 PY 2016 BP 445 EP 456 D2 10.1002/9781119100430 PG 12 WC Materials Science, Ceramics SC Materials Science GA BF7FF UT WOS:000384001300023 ER PT J AU Ming, WM Shi, HL Du, MH AF Ming, Wenmei Shi, Hongliang Du, Mao-Hua TI Large dielectric constant, high acceptor density, and deep electron traps in perovskite solar cell material CsGeI3 SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID PHOTOVOLTAIC APPLICATIONS; PHASE-TRANSITIONS; SINGLE-CRYSTALS; RAY-DETECTORS; X-RAY; SEMICONDUCTOR; LENGTHS; PHOTODETECTORS; CH3NH3PBI3; MOBILITIES AB Many metal halides that contain cations with the ns(2) electronic configuration have recently been discovered as high-performance optoelectronic materials. In particular, solar cells based on lead halide perovskites have shown great promise as evidenced by the rapid increase of the power conversion efficiency. In this paper, we show density functional theory calculations of electronic structure and dielectric and defect properties of CsGeI3 (a lead-free halide perovskite material). The potential of CsGeI3 as a solar cell material is assessed based on its intrinsic properties. We find anomalously large Born effective charges and a large static dielectric constant dominated by lattice polarization, which should reduce carrier scattering, trapping, and recombination by screening charged defects and impurities. Defect calculations show that CsGeI3 is a p-type semiconductor and its hole density can be modified by varying the chemical potentials of the constituent elements. Despite the reduction of long-range Coulomb attraction by strong screening, the iodine vacancy in CsGeI3 is found to be a deep electron trap due to the short-range potential, i.e., strong Ge-Ge covalent bonding, which should limit electron transport efficiency in p-type CsGeI3. This is in contrast to the shallow iodine vacancies found in several Pb and Sn halide perovskites (e.g., CH3 NH3PbI3, CH3 NH3SnI3, and CsSnI3). The low-hole-density CsGeI3 may be a useful solar absorber material but the presence of the low-energy deep iodine vacancy may significantly reduce the open circuit voltage of the solar cell. On the other hand, CsGeI3 may be used as an efficient hole transport material in solar cells due to its small hole effective mass, the absence of low-energy deep hole traps, and the favorable band offset with solar absorber materials such as dye molecules and CH3NH3PbI3. C1 [Ming, Wenmei; Shi, Hongliang; Du, Mao-Hua] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Ming, Wenmei; Shi, Hongliang; Du, Mao-Hua] Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Oak Ridge, TN 37831 USA. [Shi, Hongliang] Beihang Univ, Sch Phys & Nucl Energy Engn, Beijing 100191, Peoples R China. RP Du, MH (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.; Du, MH (reprint author), Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Oak Ridge, TN 37831 USA. EM mhdu@ornl.gov RI Shi, Hongliang/A-7568-2010; Du, Mao-Hua/B-2108-2010 OI Shi, Hongliang/0000-0003-0713-4688; Du, Mao-Hua/0000-0001-8796-167X FU U. S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was supported by the U. S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 49 TC 0 Z9 0 U1 35 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 2016 VL 4 IS 36 BP 13852 EP 13858 DI 10.1039/c6ta04685a PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA DX2YE UT WOS:000384238900020 ER PT J AU Cai, S Schaffer, JE Ren, Y AF Cai, Song Schaffer, Jeremy E. Ren, Yang TI Stress-induced phase transformation in a Ti-17Nb-1Cr alloy SO MATERIALS RESEARCH LETTERS LA English DT Article DE Synchrotron X-ray; Beta Ti Alloy; Omega Phase; Stress-induced Martensite; Texture ID SHAPE-MEMORY; SUPERELASTIC ALLOYS; INDUCED MARTENSITE; TI; BEHAVIOR; TEXTURE; DEFORMATION; STRAIN AB In situ synchrotron X-ray diffraction was used to study the deformation behavior of a Ti-17Nb-1Cr alloy at room temperature. Stress-induced martensite (SIM) transformation increased the total recoverable strain. A maximum of similar to 3.5% strain recovery was obtained after proper heat treatment. Unlike other alloys with a bcc crystal structure, the beta-phase has a strong (210)(beta) texture, supporting the previous suggestion that all meta-stable beta-Ti alloys may have a similar texture instead of the well-known (110)(beta) texture after axisymmetric deformation. The omega-phase has a (22 (4) over bar3)(omega) texture. The (041)(alpha '') fiber texture in alpha ''-phase was formed from the (210)(beta) texture based on their crystal orientation relationship. [GRAPHICS] . C1 [Cai, Song; Schaffer, Jeremy E.] Ft Wayne Met Res Prod Corp, 9609 Ardmore Ave, Ft Wayne, IN 46809 USA. [Ren, Yang] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Cai, S (reprint author), Ft Wayne Met Res Prod Corp, 9609 Ardmore Ave, Ft Wayne, IN 46809 USA. EM song_cai@fwmetals.com FU Fort Wayne Metals Research Products Corporation; DOE Office of Science [DE-AC02-06CH11357] FX This study was funded by Fort Wayne Metals Research Products Corporation. 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. Data were analyzed by using the FIT2D and Maud software. NR 19 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2166-3831 J9 MATER RES LETT JI Mater. Res. Lett. PY 2016 VL 4 IS 3 BP 161 EP 167 DI 10.1080/21663831.2016.1153003 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA DY3RI UT WOS:000385011000005 ER PT B AU Shelton, WW Ames, RW Dennis, RA White, CW Plunkett, JE Fisher, JC Dalton, RP AF Shelton, Walter W. Ames, Robin W. Dennis, Richard A. White, Charles W. Plunkett, John E. Fisher, James C. Dalton, Richard P. GP ASME TI ADVANCED AND TRANSFORMATIONAL HYDROGEN TURBINES FOR INTEGRATED GASIFICATION COMBINED CYCLES SO PROCEEDINGS OF THE ASME TURBO EXPO: TURBINE TECHNICAL CONFERENCE AND EXPOSITION, 2016, VOL 3 LA English DT Proceedings Paper CT ASME Turbo Expo: Turbine Technical Conference and Exposition CY JUN 13-17, 2016 CL Seoul, SOUTH KOREA SP Int Gas Turbine Inst AB The U.S. Department of Energy's (DOE) provides a worldwide leadership role in the development of advanced fossil fuel based energy conversion technologies, with a focus on electric power generation with carbon capture and storage (CCS). As part of DOE's Office of Fossil Energy, the National Energy Technology Laboratory (NETL) implements research, development, and demonstration (RD&D) programs that address the challenges of reducing greenhouse gas emissions. To meet these challenges, NETL evaluates advanced power cycles that will maximize system efficiency and performance, while minimizing CO2 emissions and the costs of CCS. NETL's Hydrogen Turbine Program has sponsored numerous R&D projects in support of Advanced Hydrogen Turbines (AHT). Turbine systems and components targeted for development include combustor technology, materials research, enhanced cooling technology, coatings development, and more. The R&D builds on existing gas turbine technologies and is intended to develop and test the component technologies and subsystems needed to validate the ability to Meet the Turbine Program goals. These technologies are key components of AHTs, which enable overall plant efficiency and cost of electricity (COE) improvements relative to an F-frame turbine based Integrated Gasification Combined Cycle (IGCC) reference plant equipped with carbon capture (today's state-ofthe-art). This work has also provided the basis for estimating future IGCC plant performance based on a Transformational Hydrogen Turbine (THT) with a higher turbine inlet temperature, enhanced material capabilities, reduced air cooling and leakage, and higher pressure ratios than the AHT. IGCC cases from using system-level AHT and THT gas turbine models were developed for comparisons with an F frame turbine-based IGCC reference case and for an IGCC pathway study. The IGCC pathway is presented in which the reference case (i.e. includes F-frame turbine) is sequentially modified through the incorporation of advanced technologies. Advanced technologies are considered to be either 2nd Generation or Transformational, if they are anticipated to be ready for demonstration by 2025 and 2030, respectively. The current results included the THT, additional potential transformational technologies related to IGCC plant sections (e.g. air separation, gasification, gas cleanup, carbon capture, NOx reduction) are being considered by NEIL and are topics for inclusion in future reports. C1 [Shelton, Walter W.; Ames, Robin W.; Dennis, Richard A.; Fisher, James C.] US DOE, NETL, Morgantown, WV 26505 USA. [White, Charles W.; Plunkett, John E.] Noblis Inc, Falls Church, VA USA. [Dalton, Richard P.] LTI, NETL, Morgantown, WV USA. RP Shelton, WW (reprint author), US DOE, NETL, Morgantown, WV 26505 USA. NR 6 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4974-3 PY 2016 AR UNSP V003T08A012 PG 18 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BF8EJ UT WOS:000384850100048 ER PT B AU Szyliowicz, JS Ohi, JM AF Szyliowicz, Joseph S. Ohi, James M. BE Hilpert, U TI THE POLITICS OF TECHNOLOGICAL INNOVATION The case of US solar industry SO ROUTLEDGE HANDBOOK OF POLITICS AND TECHNOLOGY LA English DT Article; Book Chapter ID ENERGY C1 [Szyliowicz, Joseph S.] Univ Denver, Josef Korbel Sch Int Studies, Denver, CO 80208 USA. [Szyliowicz, Joseph S.] Natl Sci Fdn, 4201 Wilson Blvd, Arlington, VA 22230 USA. [Szyliowicz, Joseph S.] Off Technol Assessment, Washington, DC USA. [Szyliowicz, Joseph S.] Int Polit Sci Assoc, Sci Technol & Publ Policy Res Comm, Montreal, PQ, Canada. [Ohi, James M.] Natl Renewable Energy Lab, Golden, CO USA. RP Szyliowicz, JS (reprint author), Univ Denver, Josef Korbel Sch Int Studies, Denver, CO 80208 USA. NR 18 TC 0 Z9 0 U1 0 U2 0 PU ROUTLEDGE PI ABINGDON PA 2 PARK SQ, MILTON PARK, ABINGDON OX14 4RN, OXFORD, ENGLAND BN 978-1-315-72523-9; 978-0-415-69201-4 PY 2016 BP 341 EP 353 PG 13 WC History & Philosophy Of Science; Political Science SC History & Philosophy of Science; Government & Law GA BF7WA UT WOS:000384524300024 ER PT J AU Ludwig, J Marino, C Haering, D Stinner, C Nordlund, D Doeff, MM Gasteiger, HA Nilges, T AF Ludwig, Jennifer Marino, Cyril Haering, Dominik Stinner, Christoph Nordlund, Dennis Doeff, Marca M. Gasteiger, Hubert A. Nilges, Tom TI Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4 as a high-voltage cathode material for lithium-ion batteries SO RSC ADVANCES LA English DT Article ID X-RAY-ABSORPTION; POSITIVE-ELECTRODE MATERIALS; FE-SUBSTITUTED LICOPO4; LI-ION; HYDROTHERMAL SYNTHESIS; ELECTROCHEMICAL PROPERTIES; PHOSPHO-OLIVINES; ENERGY-STORAGE; LIMPO4 M=MN; TRANSPORT-PROPERTIES AB Olivine-type LiCoPO4 is considered a promising high-voltage cathode material for next-generation lithium-ion batteries. However, preparing high-performance LiCoPO4 by a simple approach has been challenging. Herein, we present a facile and rapid (30 min) one-step microwave-assisted solvothermal synthesis route using a 1:1 (v/v) water/ethylene glycol (EG) binary solvent mixture and a temperature of 250 degrees C. The technique delivers high-performance LiCoPO4 nanoparticles without additional post-annealing or carbon coating steps. The as-prepared powder consists of single crystalline LiCoPO4 and features a hexagonal platelet-like morphology with dimensions of 700-800 nm x 400-600 nm x 100-220 nm. Selected area electron diffraction (SAED) experiments reveal that the platelets show the smallest dimension along [010], which is the direction of the lithium diffusion pathways in the olivine crystal structure. Furthermore, the results indicate that the EG co-solvent plays an important role in tailoring the particle size, morphology, and crystal orientation of the material. Co L-edge soft X-ray absorption spectroscopy (XAS) of LiCoPO4 are presented for the first time and confirm that the material only consists of Co2+. Benefiting from the unique morphology, which facilitates Li-ion conduction, electrochemical measurements deliver an initial discharge capacity of 137 mA h g(-1) at 0.1 C, a remarkably stable capacity retention of 68% after 100 cycles at 0.5 C, and a specific energy density of 658 W h kg(-1) based on its capacity and voltage, which is the best performance of LiCoPO4 obtained from microwave-assisted solvothermal synthesis to date. C1 [Ludwig, Jennifer; Nilges, Tom] Tech Univ Munich, Dept Chem Synth & Characterizat Innovat Mat, Lichtenbergstr 4, D-85747 Garching, Germany. [Marino, Cyril; Haering, Dominik; Gasteiger, Hubert A.] Tech Univ Munich, Dept Chem, Tech Electrochem, Lichtenbergstr 4, D-85747 Garching, Germany. [Stinner, Christoph] BMW AG, Petuelring 130, D-80788 Munich, Germany. [Nordlund, Dennis] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. [Doeff, Marca M.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Marino, Cyril] Paul Scherrer Inst, Electrochem Energy Storage, CH-5232 Villigen, Switzerland. RP Nilges, T (reprint author), Tech Univ Munich, Dept Chem Synth & Characterizat Innovat Mat, Lichtenbergstr 4, D-85747 Garching, Germany. EM tom.nilges@lrz.tu-muenchen.de FU BMW AG; state of Bavaria; TUM; US Department of Energy Office of Science [DE-AC02-76SF00515]; Fonds der Chemischen Industrie FX The authors would like to thank the BMW AG, the state of Bavaria, and the TUM for financial support and funding. The soft XAS experiments were carried out at the Stanford Synchrotron Radiation Lightsource, a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the US Department of Energy Office of Science by Stanford University (contract no. DE-AC02-76SF00515). Furthermore, we thank Prof. J. Mink for Raman, K. Rodewald for SEM, and M. Hanzlik for TEM measurements. We also thank U. Ammari of the microanalytical laboratory of the TUM for elemental analyses. The help of Y. Li with the temperature-dependent PXRD measurements is gratefully acknowledged. J. Ludwig is further grateful to the Fonds der Chemischen Industrie for her fellowship. NR 90 TC 3 Z9 3 U1 13 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 2016 VL 6 IS 86 BP 82984 EP 82994 DI 10.1039/c6ra19767a PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA DX1VM UT WOS:000384155100063 ER PT J AU Yulaev, A Cheng, GJ Walker, ARH Vlassiouk, IV Myers, A Leite, MS Kolmakov, A AF Yulaev, Alexander Cheng, Guangjun Walker, Angela R. Hight Vlassiouk, Ivan V. Myers, Alline Leite, Marina S. Kolmakov, Andrei TI Toward clean suspended CVD graphene SO RSC ADVANCES LA English DT Article ID RAY PHOTOELECTRON-SPECTROSCOPY; ELECTRON-MICROSCOPY; SURFACE-ANALYSIS; GASEOUS SAMPLES; HIGH-QUALITY; GROWTH; FILMS; DELAMINATION; SIMULATION; MEMBRANES AB The application of suspended graphene as electron transparent supporting media in electron microscopy, vacuum electronics, and micromechanical devices requires the least destructive and maximally clean transfer from their original growth substrate to the target of interest. Here, we use thermally evaporated anthracene films as the sacrificial layer for graphene transfer onto an arbitrary substrate. We show that clean suspended graphene can be achieved via desorbing the anthracene layer at temperatures in the 100 degrees C to 150 degrees C range, followed by two sequential annealing steps for the final cleaning, using a Pt catalyst and activated carbon. The cleanliness of the suspended graphene membranes was analyzed employing the high surface sensitivity of low energy scanning electron microscopy and X-ray photoelectron spectroscopy. A quantitative comparison with two other commonly used transfer methods revealed the superiority of the anthracene approach to obtain a larger area of clean, suspended CVD graphene. Our graphene transfer method based on anthracene paves the way for integrating cleaner graphene in various types of complex devices, including the ones that are heat and humidity sensitive. C1 [Yulaev, Alexander; Myers, Alline; Kolmakov, Andrei] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA. [Yulaev, Alexander; Leite, Marina S.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Yulaev, Alexander] Univ Maryland, Maryland NanoCtr, College Pk, MD 20742 USA. [Cheng, Guangjun; Walker, Angela R. Hight] NIST, Phys Measurement Lab, Gaithersburg, MD 20899 USA. [Vlassiouk, Ivan V.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Leite, Marina S.] Univ Maryland, Inst Res Elect & Appl Phys, College Pk, MD 20742 USA. RP Kolmakov, A (reprint author), NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.; Leite, MS (reprint author), Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.; Leite, MS (reprint author), Univ Maryland, Inst Res Elect & Appl Phys, College Pk, MD 20742 USA. EM mleite@umd.edu; andrei.kolmakov@nist.gov RI Vlassiouk, Ivan/F-9587-2010; Kolmakov, Andrei/B-1460-2017; Hight Walker, Angela/C-3373-2009 OI Vlassiouk, Ivan/0000-0002-5494-0386; Kolmakov, Andrei/0000-0001-5299-4121; Hight Walker, Angela/0000-0003-1385-0672 FU NIST-CNST/UMD-IREAP Cooperative Agreement FX This work has been conducted at CNST, NIST using CNST NanoFab facilities and was supported in part by the NIST-CNST/UMD-IREAP Cooperative Agreement. MSL thanks the 2014 Minta Martin Award at UMD. The discussions and feedback from Dr I. Levin and Dr N. Zhitenev are greatly appreciated. NR 42 TC 0 Z9 0 U1 14 U2 14 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 2016 VL 6 IS 87 BP 83954 EP 83962 DI 10.1039/c6ra17360h PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA DX1LQ UT WOS:000384129300053 PM 27920903 ER PT J AU Cosimbescu, L Robinson, JW Zhou, Y Qu, J AF Cosimbescu, Lelia Robinson, Joshua W. Zhou, Yan Qu, Jun TI Dual functional star polymers for lubricants SO RSC ADVANCES LA English DT Article ID VISCOSITY INDEX IMPROVERS; FRICTION MODIFIERS; PERFORMANCE; DERIVATIVES; ADSORPTION; REDUCTION; ADDITIVES; BRUSHES AB Star-shaped poly(alkylmethacrylate)s (PAMAs) with a three armarchitecture were designed, prepared and their performance as a dual additive (viscosity index improver and friction modifier) for engine oils was evaluated. Furthermore, the structure-property relationships between the macromolecular structure and lubricant performance were studied, such as molecular weight and polarity effects on the viscosity index. Several copolymers of dodecylmethacrylate with polar methacrylates in various amounts and various topologies, were synthesized as model compounds. Star polymers with a polar content of at least 10% in a block or tapered block topology effectively reduced the friction coefficient in both mixed and boundary lubrication regimes. However, a polar content of 20% was efficient in reducing friction in both random and block topologies. C1 [Cosimbescu, Lelia; Robinson, Joshua W.] Pacific Northwest Natl Lab, 902 Battelle Blvd,POB 999,MSIN K2-44, Richland, WA 99352 USA. [Zhou, Yan; Qu, Jun] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Cosimbescu, L (reprint author), Pacific Northwest Natl Lab, 902 Battelle Blvd,POB 999,MSIN K2-44, Richland, WA 99352 USA. EM lelia.cosimbescu@pnnl.gov FU Office of Vehicle Technology (VT) of the U.S. Department of Energy (US DOE) [27573]; U.S. DOE [DE_AC06-76RLO 1830] FX This project was funded by the Office of Vehicle Technology (VT) of the U.S. Department of Energy (US DOE), (under contract No. 27573). PNNL is proudly operated by Battelle for the U.S. DOE (under Contract DE_AC06-76RLO 1830). The authors kindly acknowledge contributions from Ewa Bardasz (Energetics) in the form of insightful technical discussions as well as from JoRuetta Ellington (Evonik) for technical assistance and for providing benchmark materials. We thank A. on Chemical for generously donating base oils for screening purposes. NR 32 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 2046-2069 J9 RSC ADV JI RSC Adv. PY 2016 VL 6 IS 89 BP 86259 EP 86268 DI 10.1039/c6ra17461b PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA DX4BG UT WOS:000384322700067 ER PT J AU Chen, H Ohodnicki, P Baltrus, JP Holcomb, G Tylczak, J Du, H AF Chen, Hui Ohodnicki, Paul Baltrus, John P. Holcomb, Gordon Tylczak, Joseph Du, Henry TI High-temperature stability of silver nanoparticles geometrically confined in the nanoscale pore channels of anodized aluminum oxide for SERS in harsh environments SO RSC ADVANCES LA English DT Article ID ENHANCED RAMAN-SCATTERING; IN-SITU; AG NANOPARTICLES; SPECTROSCOPY; PARTICLES; OXIDATION; GROWTH AB We report the ability of nanoscale pore channels of anodized aluminum oxide (AAO) to endow entrapped silver nanoparticles (Ag NPs) within with structural and oxidation stability for potential surface-enhanced Raman scattering (SERS) at elevated temperatures. AAO was prepared via two-step anodization of high purity aluminum foil in phosphoric acid. Ag NPs of controlled size and coverage were obtained via in situ seeded growth from aqueous AgNO3 solution inside the AAO pore channels. The structural and chemical characteristics and the SERS activity of the Ag NPs before and after environmental exposure in air at up to 600 degrees C for as long as 5 days were evaluated using scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. We show that the Ag NPs entrapped in the AAO pore channels exhibit enhanced structural and oxidation stability and thus retain significant SERS activity upon high-temperature treatment, indicating the intricate role of geometric confinement in retarding Ostwald ripening, evaporation loss, as well as oxidation of Ag NPs. C1 [Chen, Hui; Du, Henry] Stevens Inst Technol, Dept Chem Engn & Mat Sci, Hoboken, NJ 07030 USA. [Ohodnicki, Paul; Baltrus, John P.; Holcomb, Gordon; Tylczak, Joseph] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Ohodnicki, Paul] Carnegie Mellon Univ, Mat Sci & Engn, Pittsburgh, PA 15213 USA. RP Du, H (reprint author), Stevens Inst Technol, Dept Chem Engn & Mat Sci, Hoboken, NJ 07030 USA. EM hdu@stevens.edu OI Chen, Hui/0000-0003-1613-468X FU National Science Foundation [DMR-1506179]; U.S. Department of Energy FX This work was funded by National Science Foundation DMR-1506179. This work was supported in part by an appointment to the National Energy Technology Laboratory Research Participation Program, sponsored by the U.S. Department of Energy and administered by the Oak Ridge Institute for Science and Education. NR 34 TC 0 Z9 0 U1 8 U2 8 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 2016 VL 6 IS 90 BP 86930 EP 86937 DI 10.1039/c6ra17725e PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA DX2WF UT WOS:000384232600019 ER PT J AU Xi, LQ Pan, YX Huang, SM Liu, GK AF Xi, Luqing Pan, Yuexiao Huang, Shaoming Liu, Guokui TI Mn4+ doped (NH4)(2) TiF6 and (NH4)(2) SiF6 micro-crystal phosphors: synthesis through ion exchange at room temperature and their photoluminescence properties SO RSC ADVANCES LA English DT Article ID LIGHT-EMITTING-DIODES; RED PHOSPHOR; LUMINESCENCE PROPERTIES; WHITE LEDS; OPTICAL-PROPERTIES; COLOR CONVERTER; GENERATION; ENHANCEMENT; EFFICIENCY; MECHANISM AB The synthesis procedures of red phosphors activated by Mn4+ that are carried out especially at room temperature, are significant to industrialization. Herein, we report a facile strategy to obtain two red micro-crystal phosphors: (NH4)(2) TiF6:Mn4+ (NTF:Mn) and (NH4)(2) SiF6:Mn4+ (NSF:Mn) through ion exchange at room temperature for a few hours. Raw materials NTF and NSF act as host lattices of red micro-crystal phosphors, and activator Mn4+ ions are from K2MnF6/HF and/ or mixed KMnO4/HF solution. The reaction mechanism for the synthesis process has been comprehensively discussed in detail. The typical red emitting luminescence of Mn4+ with strong absorption in the blue region and the large size of about 200 mu m of red micro-crystal phosphors NTF: Mn make it an attractive candidate material as a red compensator for resin-free white light-emitting diodes with high color rendering index. The dependence of emission intensity on concentration of HF and KMnO4, and measurement temperature has been investigated. The advantage of the proposed strategy is the ability to explore Mn4+ doped red phosphors from low-cost starting materials at room temperature for large scale industrial applications. C1 [Xi, Luqing; Pan, Yuexiao; Huang, Shaoming] Wenzhou Univ, Coll Chem & Mat Engn, Key Lab Carbon Mat Zhejiang Prov, Wenzhou 325035, Peoples R China. [Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Pan, YX (reprint author), Wenzhou Univ, Coll Chem & Mat Engn, Key Lab Carbon Mat Zhejiang Prov, Wenzhou 325035, Peoples R China.; Liu, GK (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. EM yxpan8@gmail.com; gkliu@anl.gov FU National Natural Science Foundation of China [51572200, 51102185]; Zhejiang Province [Y16E020041]; Public Industrial Technology Research Projects of Zhejiang Province [2015C31142]; Wenzhou City [G20140040] FX This research was jointly supported by National Natural Science Foundation of China (51572200, 51102185) and Zhejiang Province (Y16E020041), Public Industrial Technology Research Projects of Zhejiang Province (2015C31142) and Wenzhou City (G20140040). NR 47 TC 2 Z9 2 U1 6 U2 6 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 2016 VL 6 IS 80 DI 10.1039/c6ra16417j PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA DU4BV UT WOS:000382157700021 ER PT J AU Hoel, H Law, KJH Tempone, R AF Hoel, Hakon Law, Kody J. H. Tempone, Raul TI MULTILEVEL ENSEMBLE KALMAN FILTERING SO SIAM JOURNAL ON NUMERICAL ANALYSIS LA English DT Article DE Monte Carlo; multilevel; filtering; Kalman filter; ensemble Kalman filter ID DATA ASSIMILATION; SIMULATION; SCHEME; SDES AB This work embeds a multilevel Monte Carlo sampling strategy into the Monte Carlo step of the ensemble Kalman filter (EnKF) in the setting of finite dimensional signal evolution and noisy discrete-time observations. The signal dynamics is assumed to be governed by a stochastic differential equation (SDE), and a hierarchy of time grids is introduced for multilevel numerical integration of that SDE. The resulting multilevel EnKF is proved to asymptotically outperform EnKF in terms of computational cost versus approximation accuracy. The theoretical results are illustrated numerically. C1 [Hoel, Hakon] Univ Oslo, Dept Math, Oslo, Norway. [Hoel, Hakon; Tempone, Raul] KAUST, Appl Math & Computat Sci, Thuwal, Saudi Arabia. [Law, Kody J. H.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Hoel, H (reprint author), Univ Oslo, Dept Math, Oslo, Norway.; Hoel, H (reprint author), KAUST, Appl Math & Computat Sci, Thuwal, Saudi Arabia. EM haakonah@math.uio.no; lawkj@ornl.gov; raul.tempone@kaust.edu.sa OI Law, Kody/0000-0003-3133-2537 FU King Abdullah University of Science and Technology (KAUST); ORNL LDRD Strategic Hire grant FX This research was supported by King Abdullah University of Science and Technology (KAUST). The authors were members of the SRI Center for Uncertainty Quantification at KAUST for much of the research reported.; The research of this author was supported by an ORNL LDRD Strategic Hire grant. NR 41 TC 2 Z9 2 U1 3 U2 3 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 2016 VL 54 IS 3 BP 1813 EP 1839 DI 10.1137/15M100955X PG 27 WC Mathematics, Applied SC Mathematics GA DY3WC UT WOS:000385026000021 ER PT J AU Razzaghmanesh, M Beecham, S Salemi, T AF Razzaghmanesh, Mostafa Beecham, Simon Salemi, Telma TI The role of green roofs in mitigating Urban Heat Island effects in the metropolitan area of Adelaide, South Australia SO URBAN FORESTRY & URBAN GREENING LA English DT Article DE Green roofs; Urban heat island; Climate change adaptation ID EXTENSIVE LIVING ROOF; DRY CLIMATE; VEGETATION; QUALITY; ENVIRONMENTS; TEMPERATURES; PERFORMANCE; SURVIVAL; BENEFITS; COMFORT AB Changing an urban environment and replacing vegetated surfaces with low albedo materials is one of the reasons for increasing temperatures in an urban environment and consequently also one of the key causes of urban heat island effects. In this study, an experimental investigation at the micro-scale and also a numerical simulation at the macro-scale of a typical urban environment in Adelaide were conducted to estimate the potential for mitigating the UHI effect. The results showed that existing low albedo materials such as asphalt, metal roofs and brick pavements contribute to the heat island potential. Also, urban development and a lack of natural vegetation contribute to increased temperatures in cities. The ability of two types of extensive and intensive green roofs to reduce the surrounding micro-climate temperature were monitored. The results showed that they have significant cooling effects in summer time and could behave as an insulation layer to keep buildings warmer in the winter. Furthermore, different scenarios of adding green roofs to the Adelaide urban environment were investigated using the Envi-MET model. The scenario modelling of adding green roofs in a typical urban area in Adelaide, Australia, supported the hypothesis that this can lead to reductions in energy consumption in the Adelaide urban environment. Also an increased use of other water sensitive urban design technologies such as green walls and street trees together with the adoption of high albedo materials is recommended for achieving the optimum efficiency in terms of reducing urban temperatures and mitigating urban heat island effects. (C) 2015 Elsevier GmbH. All rights reserved. C1 [Razzaghmanesh, Mostafa; Beecham, Simon] Univ South Australia, Sch Nat & Built Environm, Ctr Water Management & Reuse, Adelaide, SA, Australia. [Salemi, Telma] Flinders Univ S Australia, Sch Environm, Adelaide, SA, Australia. RP Razzaghmanesh, M (reprint author), US EPA, Oak Ridge Inst Sci & Educ, Edison, NJ 08837 USA. EM mostafa.razzaghmanesh@mymail.unisa.edu.au RI Beecham, Simon/M-1544-2016 OI Razzaghmanesh, Mostafa/0000-0002-0583-1482; Beecham, Simon/0000-0002-9884-3852 NR 45 TC 7 Z9 8 U1 22 U2 23 PU ELSEVIER GMBH, URBAN & FISCHER VERLAG PI JENA PA OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY SN 1618-8667 J9 URBAN FOR URBAN GREE JI Urban For. Urban Green. PY 2016 VL 15 BP 89 EP 102 DI 10.1016/j.ufug.2015.11.013 PG 14 WC Plant Sciences; Environmental Studies; Forestry; Urban Studies SC Plant Sciences; Environmental Sciences & Ecology; Forestry; Urban Studies GA DY2HF UT WOS:000384913000014 ER PT S AU Yadav, N Duyang, H Mishra, S Bhuyan, B Shanahan, P AF Yadav, Nitin Duyang, Hongue Mishra, Sanjib Bhuyan, Bipul Shanahan, Peter BE Bhuyan, B TI Cosmic Muon Induced EM Showers in NO nu A SO XXI DAE-BRNS HIGH ENERGY PHYSICS SYMPOSIUM SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 21st DAE-BRNS High Energy Physics (HEP) Symposium CY DEC 08-12, 2014 CL Indian Inst Technol Guwahati, Guwahati, INDIA SP European Phys Journal, Govt India, Dept Atom Energy, Board Res Nucl Sci HO Indian Inst Technol Guwahati AB Being a nu(e) appearance experiment, NO nu A finds signal nu(e) events by detecting electrons in the final state of (nu(e)-CC) interaction. This requires correct modeling and reconstruction of electrons. The biggest background to nu(e)-CC signal events is from nu(mu)-NC events where pi(0) from hadronic showers decay into energetic photons which can fake electron-induced electromagnetic (EM) showers. To reduce the background, the particle identification algorithm should be able to correctly identify an EM shower as either from an electrons or from a pi(0). Intrinsic beam nu(e) events and nu(mu)-CC events where muon track is very short, also contribute to the background. Cosmic muons produce EM showers through interaction with detector media or via decay into electrons. These showers, once being isolated, can provide a test sample of pure EM showers. EM shower modelling and reconstruction efficiency in the NO nu A detectors can be better understood and quantified using such a sample. C1 [Yadav, Nitin; Bhuyan, Bipul] Indian Inst Technol, Gauhati 781039, Assam, India. [Duyang, Hongue; Mishra, Sanjib] Univ South Carolina, Columbia, SC USA. [Shanahan, Peter] Fermilab Natl Accelerator Lab, Batavia, IL USA. RP Yadav, N (reprint author), Indian Inst Technol, Gauhati 781039, Assam, India. EM nitin@fnal.gov NR 5 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER INT PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 0930-8989 BN 978-3-319-25619-1; 978-3-319-25617-7 J9 SPRINGER PROC PHYS PY 2016 VL 174 BP 353 EP 361 DI 10.1007/978-3-319-25619-1_54 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA BF6JH UT WOS:000383201700054 ER PT S AU Mahajan, S Bhatnagar, V Choudhary, BC Raja, R AF Mahajan, Sonam Bhatnagar, Vipin Choudhary, Brajesh C. Raja, Rajendran BE Bhuyan, B TI Particle Production Measurements Using the MIPP Detector at Fermilab SO XXI DAE-BRNS HIGH ENERGY PHYSICS SYMPOSIUM SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 21st DAE-BRNS High Energy Physics (HEP) Symposium CY DEC 08-12, 2014 CL Indian Inst Technol Guwahati, Guwahati, INDIA SP European Phys Journal, Govt India, Dept Atom Energy, Board Res Nucl Sci HO Indian Inst Technol Guwahati ID ABSORPTION CROSS-SECTIONS; GEV-C; NUCLEI AB Inelastic cross sections have been measured for H, Be, C and Bi targets using proton beams at momenta of 58, 85 and 120 GeV/c using the MIPP experiment at Fermilab. The cross section dependence on the atomic weight (A) of the targets has been found to vary as A(alpha), where a is 0.75 +/- 0.03 for a beam momentum of 58 GeV/c and 0.66 +/- 0.03 for 120 GeV/c. The MIPP data have been compared with the Monte Carlo (DPMJET/FLUKA) predictions and previous measurements. Inelastic cross sections have also been measured as a function of multiplicity for H and C targets using proton beams at different momenta. The DPMJET/FLUKA multiplicity shapes disagree with those of data. Inclusive charged pion production cross sections have also been measured in bins of true momentum for C target using 58 and 120GeV/c proton beams, and compared with the FLUKA Monte Carlo. C1 [Mahajan, Sonam; Bhatnagar, Vipin] Panjab Univ, Dept Phys, Chandigarh 160014, India. [Choudhary, Brajesh C.] Univ Delhi, Dept Phys Astrophys, Delhi 110007, India. [Raja, Rajendran] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Mahajan, S (reprint author), Panjab Univ, Dept Phys, Chandigarh 160014, India. EM sonam@fnal.gov; vipin@pu.ac.in; brajesh@fnal.gov NR 5 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER INT PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 0930-8989 BN 978-3-319-25619-1; 978-3-319-25617-7 J9 SPRINGER PROC PHYS PY 2016 VL 174 BP 389 EP 393 DI 10.1007/978-3-319-25619-1_59 PG 5 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA BF6JH UT WOS:000383201700059 ER PT J AU Schwalenstocker, K Paudel, J Kohn, AW Dong, C Van Heuvelen, KM Farquhar, ER Li, FF AF Schwalenstocker, Katarina Paudel, Jaya Kohn, Alexander W. Dong, Chao Van Heuvelen, Katherine M. Farquhar, Erik R. Li, Feifei TI Cobalt K beta valence-to-core X-ray emission spectroscopy: a study of low-spin octahedral cobalt(III) complexes SO DALTON TRANSACTIONS LA English DT Article ID TRANSITION-METAL-COMPLEXES; SET MODEL CHEMISTRY; ELECTRONIC-STRUCTURE; ABSORPTION SPECTROSCOPY; TOTAL ENERGIES; SPECTRA; LIGAND; DENSITY; PROBE; IDENTIFICATION AB K beta valence-to-core (V2C) X-emission spectroscopy (XES) has gained prominence as a tool for molecular inorganic chemists to probe the occupied valence orbitals of coordination complexes, as illustrated by recent evaluation of K beta V2C XES ranging from titanium to iron. However, cobalt K beta V2C XES has not been studied in detail, limiting the application of this technique to probe cobalt coordination in molecular catalysts and bioinorganic systems. In addition, the community still lacks a complete understanding of all factors that dictate the V2C peak area. In this manuscript, we report experimental cobalt K beta V2C XES spectra of low-spin octahedral Co(III) complexes with different ligand donors, in conjunction with DFT calculations. Cobalt K beta V2C XES was demonstrated to be sensitive to cobalt-ligand coordination environments. Notably, we recognize here for the first time that there is a linear correlation between the V2C area and the spectrochemical series for low-spin octahedral cobalt(III) complexes, with strong field pi acceptor ligands giving rise to the largest V2C area. This unprecedented correlation is explained by invoking different levels of pi-interaction between cobalt p orbitals and ligand orbitals that modulate the percentage of cobalt p orbital character in donor MOs, in combination with changes in the average cobalt-ligand distance. C1 [Schwalenstocker, Katarina; Paudel, Jaya; Dong, Chao; Li, Feifei] New Mexico State Univ, Dept Chem & Biochem, Las Cruces, NM 88003 USA. [Kohn, Alexander W.; Van Heuvelen, Katherine M.] Harvey Mudd Coll, Dept Chem, Claremont, CA 91771 USA. [Farquhar, Erik R.] Brookhaven Natl Lab, CWRU Ctr Synchrotron Biosci, Upton, NY 11973 USA. RP Li, FF (reprint author), New Mexico State Univ, Dept Chem & Biochem, Las Cruces, NM 88003 USA.; Van Heuvelen, KM (reprint author), Harvey Mudd Coll, Dept Chem, Claremont, CA 91771 USA.; Farquhar, ER (reprint author), Brookhaven Natl Lab, CWRU Ctr Synchrotron Biosci, Upton, NY 11973 USA. EM vanheuvelen@g.hmc.edu; efarquhar@bnl.gov; fli@nmsu.edu RI Li, Feifei/C-3476-2017 FU New Mexico State University (NMSU); College of Arts and Sciences of NMSU; National Institutes of Health [P30-EB-009998]; Harvey Mudd College Chemistry Department; National Science Foundation; National Institutes of Health/National Institute of General Medical Sciences under NSF [DMR-1332208]; National Science Foundation [ACI-1053575] FX This work reported here is supported by an institutional start-up grant to F. L. from New Mexico State University (NMSU), and a Mini-Grant to F. L. from the College of Arts and Sciences of NMSU. E. R. F. was supported by National Institutes of Health grant P30-EB-009998 (CWRU Center for Synchrotron Biosciences, PI: Mark R. Chance). K. V. H. acknowledges start-up funds from the Harvey Mudd College Chemistry Department. XES data was collected at the C1 station of Cornell High Energy Synchrotron Source (CHESS), which is supported by the National Science Foundation and the National Institutes of Health/National Institute of General Medical Sciences under NSF award DMR-1332208. We thank Dr Ken Finkelstein for technical assistance at CHESS. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575. NR 67 TC 1 Z9 1 U1 14 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 2016 VL 45 IS 36 BP 14191 EP 14202 DI 10.1039/c6dt02413k PG 12 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DX2XR UT WOS:000384237300025 PM 27533922 ER PT J AU Alvarez-Vasco, C Ma, RS Quintero, M Guo, M Geleynse, S Ramasamy, KK Wolcott, M Zhang, X AF Alvarez-Vasco, Carlos Ma, Ruoshui Quintero, Melissa Guo, Mond Geleynse, Scott Ramasamy, Karthikeyan K. Wolcott, Michael Zhang, Xiao TI Unique low-molecular-weight lignin with high purity extracted from wood by deep eutectic solvents (DES): a source of lignin for valorization SO GREEN CHEMISTRY LA English DT Article ID TEMPERATURE MIXTURES LTTMS; LIGNOCELLULOSIC BIOMASS; IONIC LIQUIDS; BIOREFINERY LIGNIN; CHOLINE CHLORIDE; KRAFT LIGNIN; PRETREATMENT; CHEMISTRY; DEPOLYMERIZATION; DELIGNIFICATION AB This paper reports a new method of applying Deep Eutectic Solvents (DES) for extracting lignin from woody biomass with high yield and high purity. DES mixtures prepared from choline chloride (ChCl) and four hydrogen-bond donors - acetic acid, lactic acid, levulinic acid and glycerol - were evaluated for treatment of hardwood (poplar) and softwood (D. fir). It was found that these DES treatments can selectively extract a significant amount of lignin from wood with high yields: 78% from poplar and 58% from D. fir. The extracted lignin has high purity (95%) with unique structural properties. We discover that DES can selectively cleave ether linkages in wood lignin and facilitate lignin removal from wood. The mechanism of DES cleavage of ether bonds between phenylpropane units was investigated. The results from this study demonstrate that DES is a promising solvent for wood delignification and the production of a new source of lignin with promising potential applications. C1 [Alvarez-Vasco, Carlos; Ma, Ruoshui; Quintero, Melissa; Guo, Mond; Geleynse, Scott; Zhang, Xiao] Washington State Univ, Voiland Sch Chem Engn & Bioengn Bioprod, Sci & Engn Lab, 2710 Crimson Way, Richland, WA 99354 USA. [Ramasamy, Karthikeyan K.] Pacific Northwest Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA. [Wolcott, Michael] Washington State Univ, Composite Mat Engn Ctr, WSU Res Pk, Pullman, WA 99164 USA. RP Zhang, X (reprint author), Washington State Univ, Voiland Sch Chem Engn & Bioengn Bioprod, Sci & Engn Lab, 2710 Crimson Way, Richland, WA 99354 USA. EM x.zhang@wsu.edu FU Agriculture and Food Research Initiative Competitive grant from the USDA National Institute of Food and Agriculture, Sungrant/Department of Transportation [2011-68005-30416, T0013G-A-9]; National Science Foundation [1454575]; Fulbright; Administrative Department of Science and Technology of Colombia (Colciencias) FX The authors gratefully acknowledge the Northwest Advanced Renewable Alliance (NARA), supported by the Agriculture and Food Research Initiative Competitive grant no. 2011-68005-30416 from the USDA National Institute of Food and Agriculture, Sungrant/Department of Transportation (contract no. T0013G-A-9) and the National Science Foundation (award no. 1454575) for funding part of this work. Carlos Alvarez-Vasco also acknowledges Fulbright and the Administrative Department of Science and Technology of Colombia (Colciencias) for support through the Fulbright-Colciencias Scholarship (2011). We appreciate the discussion with Dr Michael Lilga at the Pacific Northwest National Laboratory. NR 51 TC 0 Z9 0 U1 30 U2 30 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 2016 VL 18 IS 19 BP 5133 EP 5141 DI 10.1039/c6gc01007e PG 9 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA DY1TE UT WOS:000384876500006 ER PT J AU Lindsay, L AF Lindsay, Lucas TI First Principles Peierls-Boltzmann Phonon Thermal Transport: A Topical Review SO NANOSCALE AND MICROSCALE THERMOPHYSICAL ENGINEERING LA English DT Review DE Thermal transport; photon scattering; first principles; density functional theory ID FUNCTIONAL PERTURBATION-THEORY; SINGLE-LAYER GRAPHENE; AB-INITIO; ISOTOPE SCATTERING; DIELECTRIC SOLIDS; BLACK PHOSPHORUS; LATTICE-DYNAMICS; LOW-TEMPERATURES; CONDUCTIVITY; SEMICONDUCTORS AB The advent of coupled thermal transport calculations with interatomic forces derived from density functional theory has ushered in a new era of fundamental microscopic insight into lattice thermal conductivity. Subsequently, significant new understanding of phonon transport behavior has been developed with these methods, and because they are parameter free and successfully benchmarked against a variety of systems, they also provide reliable predictions of thermal transport in systems for which little is known. This topical review will describe the foundation from which first principles Peierls-Boltzmann transport equation methods have been developed and briefly describe important necessary ingredients for accurate calculations. Sample highlights of reported work will be presented to illustrate the capabilities and challenges of these techniques and to demonstrate the suite of tools available, with an emphasis on thermal transport in micro- and nanoscale systems. Finally, future challenges and opportunities will be discussed, drawing attention to prospects for methods development and applications. C1 [Lindsay, Lucas] Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008 MS 6056, Oak Ridge, TN 37831 USA. RP Lindsay, L (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008 MS 6056, Oak Ridge, TN 37831 USA. EM lindsaylr@ornl.gov RI Lindsay, Lucas/C-9221-2012 OI Lindsay, Lucas/0000-0001-9645-7993 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; National Energy Research Scientific Computing Center (NERSC), a DOE Office of Science User Facility - Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX L.L. acknowledges support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division and the National Energy Research Scientific Computing Center (NERSC), 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 145 TC 2 Z9 2 U1 30 U2 30 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1556-7265 EI 1556-7273 J9 NANOSC MICROSC THERM JI Nanoscale Microscale Thermophys. Eng. PY 2016 VL 20 IS 2 BP 67 EP 84 DI 10.1080/15567265.2016.1218576 PG 18 WC Thermodynamics; Engineering, Mechanical; Nanoscience & Nanotechnology; Materials Science, Characterization & Testing; Physics, Applied SC Thermodynamics; Engineering; Science & Technology - Other Topics; Materials Science; Physics GA DX7AI UT WOS:000384537600001 ER PT J AU Kirkham, H Riepnieks, A So, E McBride, J AF Kirkham, Harold Riepnieks, Artis So, Eddy McBride, Jim GP IEEE TI Error Correction: a Proposal for a Standard SO 2016 CONFERENCE ON PRECISION ELECTROMAGNETIC MEASUREMENTS (CPEM 2016) LA English DT Proceedings Paper CT Conference on Precision Electromagnetic Measurements (CPEM) CY JUL 10-15, 2016 CL Natl Res Council, Ottawa, CANADA SP GUILDLINE Instruments, FLUKE, Bur Int Poids Mesures, IEEE Instrumentat & Measurement Soc, IEEE, Natl Inst Stand & Technol, U S Dept Commerce, NCSL Int, Measurements Int HO Natl Res Council DE Transducer Electronic Data Sheet; transducer error; self-calibration; error correction AB Some of the errors in transducers such as instrument transformers can be corrected as part of the digital processing for the measurement. The instrument transformer can be characterized in such a way that allows the Transducer Electronic Data Sheet of IEEE Std 1451 to transfer the information to the measurement system. A modification would allow the measurement system to perform a high-quality self-calibration whenever a transducer was replaced. That levies requirements on the characterization accuracy of the instrument transformer. C1 [Kirkham, Harold; Riepnieks, Artis] Pacific Northwest Natl Lab, Richland, WA 99354 USA. [So, Eddy] Natl Res Council Canada, Ottawa, ON K1A 0R6, Canada. [McBride, Jim] JMX Serv Inc, Fayetteville, GA USA. RP Kirkham, H (reprint author), Pacific Northwest Natl Lab, Richland, WA 99354 USA. EM harold.kirkham@pnnl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4673-9134-4 PY 2016 PG 2 WC Engineering, Electrical & Electronic SC Engineering GA BF7CB UT WOS:000383955100106 ER PT S AU Miller, J Linnehan, R Doerry, A AF Miller, J. Linnehan, R. Doerry, A. BE Zelnio, E Garber, FD TI Applying the Hough Transform for Detecting Ground Movers in Synthetic Aperture Radar Imagery SO ALGORITHMS FOR SYNTHETIC APERTURE RADAR IMAGERY XXIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Algorithms for Synthetic Aperture Radar Imagery XXIII CY APR 21, 2016 CL Baltimore, MD SP SPIE DE Hough transform; Moving target detection; Synthetic Aperture Radar; SAR; Video SAR; Ground mover motion; Motion frame imagery AB This paper describes the impact of ground target motion in Synthetic Aperture Radar (SAR) and video SAR mode imagery. The observations provide an approach for optimizing algorithms that detect moving targets by using only the magnitude of a SAR image. A slowly moving target at a constant velocity in the along-track direction or accelerating in the cross-track direction often generates a ridge of intensity that is distinguishable from the background clutter. The direction and location of a detected ridge provide information about the motion of the associated target. The ridge can be approximated as a linear feature and detected using the Hough transform. This approach acts as a complement to detecting the radar shadow of a moving target, improving detection probability. The method is robust enough to discriminate between a ridge associated with a moving target and false alarms due to vegetation, boulders, or stationary manmade objects. Simulated and flight test data collected by General Atomics Aeronautical Systems, Inc. (GA-ASI) validate the method. C1 [Miller, J.; Linnehan, R.] Gen Atom Aeronaut Syst Inc, 16761 Via Campo Ct, San Diego, CA 92127 USA. [Doerry, A.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Miller, J (reprint author), Gen Atom Aeronaut Syst Inc, 16761 Via Campo Ct, San Diego, CA 92127 USA. NR 5 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 978-1-5106-0084-3 J9 PROC SPIE PY 2016 VL 9843 AR 984301 DI 10.1117/12.2223989 PG 8 WC Optics; Imaging Science & Photographic Technology SC Optics; Imaging Science & Photographic Technology GA BF7MS UT WOS:000384247400001 ER PT J AU Enright, HA Felix, SH Fischer, NO Mukerjee, EV Soscia, D Mcnerney, M Kulp, K Zhang, J Page, G Miller, P Ghetti, A Wheeler, EK Pannu, S AF Enright, H. A. Felix, S. H. Fischer, N. O. Mukerjee, E. V. Soscia, D. Mcnerney, M. Kulp, K. Zhang, J. Page, G. Miller, P. Ghetti, A. Wheeler, E. K. Pannu, S. TI Long-term non-invasive interrogation of human dorsal root ganglion neuronal cultures on an integrated microfluidic multielectrode array platform SO ANALYST LA English DT Article ID HUMAN SENSORY NEURONS; PERIPHERAL NERVOUS-SYSTEM; NONLINEAR ENERGY OPERATOR; CAPSAICIN RECEPTOR TRPV1; MICROELECTRODE ARRAYS; IN-VITRO; SPIKE DETECTION; MEDIATED INHIBITION; GLUTAMATE RELEASE; SODIUM-CHANNELS AB Scientific studies in drug development and toxicology rely heavily on animal models, which often inaccurately predict the true response for human exposure. This may lead to unanticipated adverse effects or misidentified risks that result in, for example, drug candidate elimination. The utilization of human cells and tissues for in vitro physiological platforms has become a growing area of interest to bridge this gap and to more accurately predict human responses to drugs and toxins. The effects of new drugs and toxins on the peripheral nervous system are often investigated with neurons isolated from dorsal root ganglia (DRG), typically with one-time measurement techniques such as patch clamping. Here, we report the use of our multi-electrode array (MEA) platform for long-term noninvasive assessment of human DRG cell health and function. In this study, we acquired simultaneous optical and electrophysiological measurements from primary human DRG neurons upon chemical stimulation repeatedly through day in vitro (DIV) 23. Distinct chemical signatures were noted for the cellular responses evoked by each chemical stimulus. Additionally, the cell viability and function of the human DRG neurons were consistent through DIV 23. To the best of our knowledge, this is the first report on long-term measurements of the cell health and function of human DRG neurons on a MEA platform. Future generations will include higher electrode numbers in customized arrangements as well as integration with different tissue types on a single device. This platform will provide a valuable testing tool for both rodent and human cells, enabling a more comprehensive risk assessment for drug candidates and toxicants. C1 [Enright, H. A.; Fischer, N. O.; Mcnerney, M.; Kulp, K.] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA USA. [Felix, S. H.; Mukerjee, E. V.; Soscia, D.; Wheeler, E. K.; Pannu, S.] Lawrence Livermore Natl Lab, Engn, Livermore, CA 94550 USA. [Zhang, J.; Page, G.; Miller, P.; Ghetti, A.] Anabios Inc, San Diego, CA USA. RP Wheeler, EK (reprint author), Lawrence Livermore Natl Lab, Engn, Livermore, CA 94550 USA. EM Wheeler16@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development [14-SI-001] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract no. DE-AC52-07NA27344. This work was supported by Laboratory Directed Research and Development funding (14-SI-001). Thanks go to Jim Candy for consultation on the enhanced spike detection algorithm. LLNL-JRNL-674199. NR 62 TC 0 Z9 0 U1 4 U2 4 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 2016 VL 141 IS 18 BP 5346 EP 5357 DI 10.1039/c5an01728a PG 12 WC Chemistry, Analytical SC Chemistry GA DV1RJ UT WOS:000382698300017 PM 27351032 ER PT J AU Fortunelli, A Vajda, S AF Fortunelli, Alessandro Vajda, Stefan TI Editorial: Nanocatalysis SO CATALYSIS SCIENCE & TECHNOLOGY LA English DT Editorial Material C1 [Fortunelli, Alessandro] CNR, ICCOM, Pisa, Italy. [Fortunelli, Alessandro] CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA. [Vajda, Stefan] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Vajda, Stefan] Argonne Natl Lab, Nanosci & Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Vajda, Stefan] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Vajda, Stefan] Yale Univ, Sch Engn & Appl Sci, Dept Chem & Environm Engn, New Haven, CT 06520 USA. RP Fortunelli, A (reprint author), CNR, ICCOM, Pisa, Italy.; Fortunelli, A (reprint author), CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA.; Vajda, S (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.; Vajda, S (reprint author), Argonne Natl Lab, Nanosci & Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA.; Vajda, S (reprint author), Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.; Vajda, S (reprint author), Yale Univ, Sch Engn & Appl Sci, Dept Chem & Environm Engn, New Haven, CT 06520 USA. EM alessandro.fortunelli@cnr.it; vajda@anl.gov NR 0 TC 0 Z9 0 U1 6 U2 6 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 2016 VL 6 IS 18 BP 6763 EP 6765 DI 10.1039/c6cy90085b PG 3 WC Chemistry, Physical SC Chemistry GA DX2ZG UT WOS:000384241800001 ER PT J AU Mao, BH Crumlin, E Tyo, EC Pellin, MJ Vajda, S Li, YM Wang, SD Liu, Z AF Mao, Bao-Hua Crumlin, Ethan Tyo, Eric C. Pellin, Michael J. Vajda, Stefan Li, Yimin Wang, Sui-Dong Liu, Zhi TI In situ study of the electronic structure of atomic layer deposited oxide ultrathin films upon oxygen adsorption using ambient pressure XPS SO CATALYSIS SCIENCE & TECHNOLOGY LA English DT Article ID WORK FUNCTION; GAS SENSORS; SURFACE; INTERFACES; METAL; NANOPARTICLES; CONDUCTIVITY; DESORPTION; CLUSTERS; AL2O3 AB In this work, ambient pressure X-ray photoelectron spectroscopy (APXPS) was used to investigate the effect of oxygen adsorption on the band bending and electron affinity of Al2O3, ZnO and TiO2 ultrathin films (similar to 1 nm in thickness) deposited on a Si substrate by atomic layer deposition (ALD). Upon exposure to oxygen at room temperature (RT), upward band bending was observed on all three samples, and a decrease in electron affinity was observed on Al2O3 and ZnO ultrathin films at RT. At 80 degrees C, the magnitude of the upward band bending decreased, and the change in the electron affinity vanished. These results indicate the existence of two surface oxygen species: a negatively charged species that is strongly adsorbed and responsible for the observed upward band bending, and a weakly adsorbed species that is polarized, lowering the electron affinity. Based on the extent of upward band bending on the three samples, the surface coverage of the strongly adsorbed species exhibits the following order: Al2O3 > ZnO > TiO2. This finding is in stark contrast to the trend expected on the surface of these bulk oxides, and highlights the unique surface activity of ultrathin oxide films with important implications, for example, in oxidation reactions taking place on these films or in catalyst systems where such oxides are used as a support material. C1 [Mao, Bao-Hua; Wang, Sui-Dong] Soochow Univ, Jiangsu Key Lab Carbon Based Funct Mat & Devices, Inst Funct Nano & Soft Mat FUNSOM, Suzhou 215123, Jiangsu, Peoples R China. [Mao, Bao-Hua; Li, Yimin; Liu, Zhi] Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China. [Mao, Bao-Hua; Crumlin, Ethan; Liu, Zhi] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Tyo, Eric C.; Pellin, Michael J.; Vajda, Stefan] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Vajda, Stefan] Argonne Natl Lab, Nanosci & Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Vajda, Stefan] Yale Univ, Sch Engn & Appl Sci, Dept Chem & Environm Engn, New Haven, CT 06520 USA. [Vajda, Stefan] Univ Chicago, Inst Mol Engn, 5747 South Ellis Ave, Chicago, IL 60637 USA. [Li, Yimin; Liu, Zhi] ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China. RP Wang, SD (reprint author), Soochow Univ, Jiangsu Key Lab Carbon Based Funct Mat & Devices, Inst Funct Nano & Soft Mat FUNSOM, Suzhou 215123, Jiangsu, Peoples R China.; Li, YM; Liu, Z (reprint author), Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China.; Liu, Z (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.; Li, YM; Liu, Z (reprint author), ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China. EM yml@mail.sim.ac; wangsd@suda.edu.cn; zliu2@mail.sim.ac.cn RI Liu, Zhi/B-3642-2009 OI Liu, Zhi/0000-0002-8973-6561 FU U.S. Department of Energy [DE-AC02-05CH11231]; National Natural Science Foundation of China [11227902, 61274019]; Soochow University-Western University Joint Centre for Synchrotron Radiation Research; Collaborative Innovation Center of Suzhou Nano Science Technology; One Hundred Science Foundation of the Chinese Academy of Sciences; U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, division of Materials Sciences and Engineering [DE-AC-02-06CH11357] FX The Advanced Light Source was 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. This work in China was supported by the National Natural Science Foundation of China (11227902 and 61274019), the Soochow University-Western University Joint Centre for Synchrotron Radiation Research, and the Collaborative Innovation Center of Suzhou Nano Science & Technology. Y. L would like to acknowledge the support from the One Hundred Science Foundation of the Chinese Academy of Sciences. The work at the Argonne National Laboratory was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, division of Materials Sciences and Engineering under Contract No. DE-AC-02-06CH11357. NR 35 TC 0 Z9 0 U1 17 U2 17 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 2016 VL 6 IS 18 BP 6778 EP 6783 DI 10.1039/c6cy00575f PG 6 WC Chemistry, Physical SC Chemistry GA DX2ZG UT WOS:000384241800003 ER PT J AU Lu, Z Kizilkaya, O Kropf, AJ Piernavieja-Hermida, M Miller, JT Kurtz, RL Elam, JW Lei, Y AF Lu, Zheng Kizilkaya, Orhan Kropf, A. Jeremy Piernavieja-Hermida, Mar Miller, Jeffrey T. Kurtz, Richard L. Elam, Jeffrey W. Lei, Yu TI Design and synthesis of model and practical palladium catalysts using atomic layer deposition SO CATALYSIS SCIENCE & TECHNOLOGY LA English DT Article ID HETEROGENEOUS CATALYSIS; RESONANT PHOTOEMISSION; THIN-FILMS; SURFACE; OXIDE; NANOPARTICLES; PRECURSOR; TIO2(110); GROWTH; SPECTROSCOPY AB We investigated the "one-batch" synthesis of model and practical palladium catalysts using atomic layer deposition (ALD). Two types of model catalysts and one type of powder-based nanocatalyst were synthesized simultaneously by ALD under viscous flow conditions. In addition, Pd/TiO2(110) model catalysts were prepared by the identical ALD process but under ultrahigh vacuum conditions. Because of the self-limiting surface reaction that defines ALD, the local structure of all the Pd catalysts were essentially the same as confirmed by a suite of microscopic and spectroscopic characterization techniques. A comprehensive understanding of the Pd-based catalysts was achieved by applying both surface science probes and advanced synchrotron techniques, and by strategically selecting the catalyst substrate best suited for each characterization. Both X-ray absorption spectroscopy and X-ray resonant photoelectron spectroscopy suggested that Pd only weakly interacted with the TiO2 support. The one-batch synthesis approach facilitated by ALD can potentially bridge the "synthesis gap" between model catalysts and practical catalysts. C1 [Lu, Zheng; Piernavieja-Hermida, Mar; Lei, Yu] Univ Alabama, Dept Chem & Mat Engn, Huntsville, AL 35899 USA. [Kizilkaya, Orhan; Kurtz, Richard L.] Louisiana State Univ, Ctr Adv Microstruct & Devices, Baton Rouge, LA 70806 USA. [Kropf, A. Jeremy; Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Miller, Jeffrey T.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. [Kurtz, Richard L.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Lei, Y (reprint author), Univ Alabama, Dept Chem & Mat Engn, Huntsville, AL 35899 USA.; Elam, JW (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jelam@anl.gov; yu.lei@uah.edu RI BM, MRCAT/G-7576-2011; ID, MRCAT/G-7586-2011 FU Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center - U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences; National Science Foundation [CBET-1511820]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This material is based upon work supported as part of the Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences. ZL and YL thank the National Science Foundation (CBET-1511820) for financial support. 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. Use of the Center for Nanoscale Materials was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 46 TC 1 Z9 1 U1 9 U2 9 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 2016 VL 6 IS 18 BP 6845 EP 6852 DI 10.1039/c6cy00682e PG 8 WC Chemistry, Physical SC Chemistry GA DX2ZG UT WOS:000384241800010 ER PT S AU Clark, J AF Clark, Jason CA CPT BPT Collaborations BE Szczerbinska, B Allahverdi, R Babu, K Balantekin, B Dutta, B Kamon, T Kumar, J Queiroz, F Strigari, L Surman, R TI Nuclear Data for r-Process Models from Ion Trap Measurements SO CETUP 2015 - WORKSHOP ON DARK MATTER, NEUTRINO PHYSICS AND ASTROPHYSICS & PPC 2015 - IXTH INTERNATIONAL CONFERENCE ON INTERCONNECTIONS BETWEEN PARTICLE PHYSICS AND COSMOLOGY SE AIP Conference Proceedings LA English DT Proceedings Paper CT 5th Workshop on Dark Matter, Neutrino Physics and Astrophysics (CETUP) / 9th International Conference on Interconnections between Particle Physics and Cosmology (PPC) CY JUL 15-17, 2015 CL Deadwood, SD SP Natl Sci Fdn, Dept Energy, Black Hills Vis, John T Vucurevich Fdn, South Dakota Sci & Technol Author, Dakota Sci, Dakota State Univ ID TIME AB To truly understand how elements are created in the universe via the astrophysical r process, accurate nuclear data are required. Historically, the isotopes involved in the r process have been difficult to access for study, but the development of new facilities and measurement techniques have put many of the r-process isotopes within reach. This paper will discuss the new CARIBU facility at Argonne National Laboratory and two pieces of experimental equipment, the Beta-decay Paul Trap and the Canadian Penning Trap, that will dramatically increase the nuclear data available for models of the astrophysical r process. C1 [Clark, Jason; CPT BPT Collaborations] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Clark, J (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM jclark@anl.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 978-0-7354-1400-6 J9 AIP CONF PROC PY 2016 VL 1743 AR 040003 DI 10.1063/1.4953295 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BF4EX UT WOS:000380800600028 ER PT J AU Zhu, XJ Shieh, P Su, M Bertozzi, CR Zhang, WJ AF Zhu, Xuejun Shieh, Peyton Su, Michael Bertozzi, Carolyn R. Zhang, Wenjun TI A fluorogenic screening platform enables directed evolution of an alkyne biosynthetic tool SO CHEMICAL COMMUNICATIONS LA English DT Article ID CYANOBACTERIUM LYNGBYA-MAJUSCULA; NATURAL-PRODUCTS; CLICK CHEMISTRY; AZIDE PROBES; DESATURASE; PREDICTION; SPECTRUM; CLUSPRO; DOCKING; GENES AB Directed evolution was used to improve the activity of JamB, a membrane-bound bifunctional desaturase/acetylenase. To quickly assess the protein engineering outcomes, we developed a new platform for quantifying extracellular alkyne-tagged metabolites through a fluorogenic click reaction. Random mutagenesis yielded the best JamB variant with similar to 20-fold increased activity in E. coli. C1 [Zhu, Xuejun; Su, Michael; Zhang, Wenjun] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94704 USA. [Shieh, Peyton; Bertozzi, Carolyn R.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Bertozzi, Carolyn R.] Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA. [Zhang, Wenjun] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Zhang, WJ (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94704 USA.; Zhang, WJ (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM wjzhang@berkeley.edu FU National Institutes of Health [DP2AT009148, GM058867]; Hellman Fellows Fund FX This research was financially supported by grants to W. Zhang from the National Institutes of Health (DP2AT009148) and the Hellman Fellows Fund, and a grant from the National Institutes of Health (GM058867) to C. R. Bertozzi. We thank Prof. A. Arkin (UC Berkeley) for the generous use of his micro-plate reader and J. Liu (UC Berkeley) for valuable suggestions in the preparation of the manuscript. NR 29 TC 0 Z9 0 U1 9 U2 9 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 2016 VL 52 IS 75 BP 11239 EP 11242 DI 10.1039/c6cc05990b PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DX2LY UT WOS:000384202600014 PM 27561030 ER PT J AU Sekizkardes, AK Kusuma, VA Dahe, G Roth, EA Hill, LJ Marti, A Macala, M Venna, SR Hopkinson, D AF Sekizkardes, Ali K. Kusuma, Victor A. Dahe, Ganpat Roth, Elliot A. Hill, Lawrence J. Marti, Anne Macala, Megan Venna, Surendar R. Hopkinson, David TI Separation of carbon dioxide from flue gas by mixed matrix membranes using dual phase microporous polymeric constituents SO CHEMICAL COMMUNICATIONS LA English DT Article ID BENZIMIDAZOLE-LINKED POLYMERS; METAL-ORGANIC FRAMEWORKS; CO2 CAPTURE; COMPOSITE MEMBRANES; PIM-1; PERFORMANCE; PERMEABILITY; ADSORPTION; STORAGE; DESIGN AB This study presents the fabrication of a new mixed matrix membrane using two microporous polymers: a polymer of intrinsic microporosity PIM-1 and a benzimidazole linked polymer, BILP-101, and their CO2 separation properties from post-combustion flue gas. 17, 30 and 40 wt% loadings of BILP-101 into PIM-1 were tested, resulting in mechanically stable films showing very good interfacial interaction due to the inherent H-bonding capability of the constituent materials. Gas transport studies showed that BILP-101/PIM-1 membranes exhibit high CO2 permeability (7200 Barrer) and selectivity over N-2 (15). The selected hybrid membrane was further tested for CO2 separation using actual flue gas from a coal-fired power plant. C1 [Sekizkardes, Ali K.; Kusuma, Victor A.; Dahe, Ganpat; Roth, Elliot A.; Hill, Lawrence J.; Marti, Anne; Macala, Megan; Venna, Surendar R.; Hopkinson, David] US DOE, Natl Energy & Technol Lab, Pittsburgh, PA 15236 USA. [Sekizkardes, Ali K.; Dahe, Ganpat; Roth, Elliot A.; Hill, Lawrence J.; Marti, Anne] Oak Ridge Inst Sci & Educ, Pittsburgh, PA 15236 USA. [Kusuma, Victor A.; Macala, Megan; Venna, Surendar R.] AECOM Pittsburgh, Pittsburgh, PA 15236 USA. RP Sekizkardes, AK; Venna, SR (reprint author), US DOE, Natl Energy & Technol Lab, Pittsburgh, PA 15236 USA.; Sekizkardes, AK (reprint author), Oak Ridge Inst Sci & Educ, Pittsburgh, PA 15236 USA.; Venna, SR (reprint author), AECOM Pittsburgh, Pittsburgh, PA 15236 USA. EM ali.sekizkardes@netl.doe.gov; Surendar.Venna@netl.doe.gov FU Department of Energy, National Energy Technology Laboratory (NETL); agency of the United States Government; NETL Carbon Capture Field Work Proposal; National Energy Technology Laboratory Research Participation Program; U.S. Department of Energy FX This report was prepared as an account of work sponsored by the Department of Energy, National Energy Technology Laboratory (NETL), an agency of the United States Government, under the NETL Carbon Capture Field Work Proposal. This research was also supported in part by an appointment to the National Energy Technology Laboratory Research Participation Program, sponsored by the U.S. Department of Energy and administered by the Oak Ridge Institute for Science and Education. The authors thank Adefemi Egbebi for carrying out the TGA experiments and Michael J. Gripple for designing the table of content figure. NR 37 TC 0 Z9 0 U1 15 U2 15 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 2016 VL 52 IS 79 BP 11768 EP 11771 DI 10.1039/c6cc04811k PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DX2MI UT WOS:000384203700008 PM 27722238 ER PT J AU Sato, T Ramirez-Cuesta, AJ Daemen, L Cheng, YQ Tomiyasu, K Takagi, S Orimo, S AF Sato, T. Ramirez-Cuesta, A. J. Daemen, L. Cheng, Y. -Q. Tomiyasu, K. Takagi, S. Orimo, S. TI Hydrogen release reactions of Al-based complex hydrides enhanced by vibrational dynamics and valences of metal cations SO CHEMICAL COMMUNICATIONS LA English DT Article ID INELASTIC NEUTRON-SCATTERING; HIGH-RESOLUTION RAMAN; X-RAY-DIFFRACTION; SUPERIONIC CONDUCTIVITY; PHONON MODES; STORAGE; LIBH4; ANHARMONICITY; SPECTROSCOPY AB Hydrogen release from Al-based complex hydrides composed of metal cation(s) and [AlH4](-) was investigated using inelastic neutron scattering viewed from vibrational dynamics. The hydrogen release followed the softening of translational and [AlH4](-) librational modes, which was enhanced by vibrational dynamics and the valence(s) of the metal cation(s). C1 [Sato, T.; Takagi, S.; Orimo, S.] Tohoku Univ, Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan. [Ramirez-Cuesta, A. J.; Daemen, L.; Cheng, Y. -Q.] Oak Ridge Natl Lab, CEMD, Spallat Neutron Source, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. [Tomiyasu, K.] Tohoku Univ, Dept Phys, Aoba Ku, Sendai, Miyagi 9808578, Japan. [Orimo, S.] Tohoku Univ, WPI Adv Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan. RP Orimo, S (reprint author), Tohoku Univ, Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan.; Orimo, S (reprint author), Tohoku Univ, WPI Adv Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan. EM orimo@imr.tohoku.ac.jp RI Sato, Toyoto/G-3798-2010; ORIMO, Shin-ichi/A-4971-2011; OI ORIMO, Shin-ichi/0000-0002-4216-0446; Ramirez-Cuesta, Anibal /0000-0003-1231-0068 FU JSPS KAKENHI [16K06766, 15H03692, 16H06119, 25220911]; Collaborative Research Center on Energy Materials in IMR (E-IMR); Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy [LDRD 7739, DE-AC0500OR22725] FX We are grateful for the technical support from H. Ohmiya and N. Warifune, and the use of SR16000 supercomputing resources at the Center for Computational Materials Science of the Institute for Materials Research, Tohoku University. This work was supported by JSPS KAKENHI (Grant No. 16K06766, 15H03692, 16H06119 and 25220911), and Collaborative Research Center on Energy Materials in IMR (E-IMR). This work benefited from the use of the VISION beamline (IPTS-12290) at ONRL's Spallation Neutron Source and the VirtuES (Virtual Experiments in Spectroscopy) project, (LDRD 7739), which are supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC0500OR22725. NR 47 TC 0 Z9 0 U1 10 U2 10 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 2016 VL 52 IS 79 BP 11807 EP 11810 DI 10.1039/c6cc05199e PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DX2MI UT WOS:000384203700018 PM 27709186 ER PT J AU Tian, CC Zhu, X Abney, CW Tian, ZQ Jiang, DE Han, KS Mahurin, SM Washton, NM Dai, S AF Tian, Chengcheng Zhu, Xiang Abney, Carter W. Tian, Ziqi Jiang, De-en Han, Kee Sung Mahurin, Shannon M. Washton, Nancy M. Dai, Sheng TI Use of steric encumbrance to develop conjugated nanoporous polymers for metal-free catalytic hydrogenation SO CHEMICAL COMMUNICATIONS LA English DT Article ID POROUS ORGANIC POLYMERS; FRUSTRATED LEWIS PAIRS; HETEROGENEOUS CATALYSIS; FRAMEWORKS; POLYCARBAZOLE; OPPORTUNITIES; ACTIVATION; DESIGN AB The design and synthesis of metal-free heterogeneous catalysts for efficient hydrogenation remains a great challenge. Here we report a novel approach to create conjugated nanoporous polymers with efficient hydrogenation activities toward unsaturated ketones by leveraging the innate steric encumbrance. The steric bulk of the framework as well as the local sterics of the Lewis basic sites within the polymeric skeleton result in the generation of the putative catalyst. This approach opens up new possibilities for the development of innovative metal-free heterogeneous catalysts. C1 [Tian, Chengcheng; Zhu, Xiang; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Abney, Carter W.; Mahurin, Shannon M.; Dai, Sheng] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Tian, Ziqi; Jiang, De-en] Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. [Han, Kee Sung; Washton, Nancy M.] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Zhu, X; Dai, S (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.; Dai, S (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM xiang@utk.edu; dais@ornl.gov RI Zhu, Xiang/P-6867-2014 OI Zhu, Xiang/0000-0002-3973-4998 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy; U.S. Department of Energy's Office of Biological and Environmental Research FX The research was supported financially by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy. The NMR experiments were performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). NR 26 TC 1 Z9 1 U1 20 U2 20 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 2016 VL 52 IS 80 BP 11919 EP 11922 DI 10.1039/c6cc06372a PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DX2MK UT WOS:000384203900011 PM 27722264 ER PT J AU Sutherland, JW Richter, JS Hutchins, MJ Dornfeld, D Dzombak, R Mangold, J Robinson, S Hauschild, MZ Bonou, A Schonsleben, P Friemann, F AF Sutherland, John W. Richter, Justin S. Hutchins, Margot J. Dornfeld, David Dzombak, Rachel Mangold, Jennifer Robinson, Stefanie Hauschild, Michael Z. Bonou, Alexandra Schonsleben, Paul Friemann, Felix TI The role of manufacturing in affecting the social dimension of sustainability SO CIRP ANNALS-MANUFACTURING TECHNOLOGY LA English DT Article; Proceedings Paper CT 66th General Assembly of the International-Academy-for-Production-Engineering (CIRP) CY AUG 21-27, 2016 CL Guimaraes, PORTUGAL SP Int Acad Prod Engn DE Lifecycle; Human aspect; Social sustainability ID LIFE-CYCLE ASSESSMENT; SUPPLY CHAIN MANAGEMENT; IMPACT ASSESSMENT; STAKEHOLDER THEORY; CONCEPTUAL-FRAMEWORK; ATTRIBUTE ASSESSMENT; DECISION-MAKING; MINING-INDUSTRY; UNION-CARBIDE; DECENT WORK AB Manufacturing affects all three dimensions of sustainability: economy, environment, and society. This paper addresses the last of these dimensions. It explores social impacts identified by national level social indicators, frameworks, and principles. The effects of manufacturing on social performance are framed for different stakeholder groups with associated social needs. Methodology development as well as various challenges for social life cycle assessment (S-LCA) are further examined. Efforts to integrate social and another dimension of sustainability are considered, with attention to globalization challenges, including offshoring and reshoring. The paper concludes with a summary of key takeaways and promising directions for future work. (C) 2016 CIRP. C1 [Sutherland, John W.; Richter, Justin S.] Purdue Univ, Environm & Ecol Engn, W Lafayette, IN 47907 USA. [Hutchins, Margot J.] Sandia Natl Labs, Livermore, CA USA. [Dornfeld, David; Mangold, Jennifer; Robinson, Stefanie] Univ Calif Berkeley, Mech Engn, Berkeley, CA 94720 USA. [Dzombak, Rachel] Univ Calif Berkeley, Civil & Environm Engn, Berkeley, CA 94720 USA. [Hauschild, Michael Z.; Bonou, Alexandra] Tech Univ Denmark, Management Engn, Lyngby, Denmark. [Schonsleben, Paul; Friemann, Felix] Swiss Fed Inst Technol, Dept Management Technol & Econ, BWI Ctr Ind Management, Zurich, Switzerland. RP Sutherland, JW (reprint author), Purdue Univ, Environm & Ecol Engn, W Lafayette, IN 47907 USA. EM jwsuther@purdue.edu OI Hauschild, Michael Zwicky/0000-0002-8331-7390 NR 270 TC 0 Z9 0 U1 13 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0007-8506 EI 1726-0604 J9 CIRP ANN-MANUF TECHN JI CIRP Ann-Manuf. Technol. PY 2016 VL 65 IS 2 BP 689 EP 712 DI 10.1016/j.cirp.2016.05.003 PG 24 WC Engineering, Industrial; Engineering, Manufacturing SC Engineering GA DW8TQ UT WOS:000383928800007 ER PT J AU Gao, Y Minamoto, Y Tanahashi, M Chakraborty, N AF Gao, Y. Minamoto, Y. Tanahashi, M. Chakraborty, N. TI A Priori Assessment of Scalar Dissipation Rate Closure for Large Eddy Simulations of Turbulent Premixed Combustion Using a Detailed Chemistry Direct Numerical Simulation Database SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE Direct numerical simulation; Large eddy simulations; Reaction progress variable; Scalar dissipation rate; Turbulent premixed combustion ID DENSITY TRANSPORT-EQUATION; FLAME WRINKLING MODEL; DYNAMIC FORMULATION; LEWIS NUMBER; METHANE-AIR; STRAIN-RATE; LES; VALIDATION; CURVATURE; GRADIENT AB Algebraic and transport equation-based closures of Favre-filtered scalar dissipation rate (SDR) (N) over tilde (c) of the reaction progress variable, in the context of large eddy simulations, have been assessed using detailed chemistry direct numerical simulation (DNS) data of a stoichiometric H-2-air turbulent V flame. The Favre-filtered SDR (N) over tilde (c) and the unclosed terms of its transport equation have been extracted by explicitly filtering the DNS data for different choices of the reaction progress variable. An algebraic closure of SDR, which was proposed previously using simple chemistry DNS data, has been found to predict the Favre-filtered SDR (N) over tilde (c) satisfactorily for detailed chemistry DNS data for different choices of the reaction progress variable. Similarly, the models of the unclosed sub-grid convection, density variation, scalar-turbulence interaction, reaction rate gradient, molecular dissipation, and diffusivity gradient terms of the Favre-filtered SDR (N) over tilde (c) transport equation, which have previously been proposed based on simple chemistry DNS data, have been found to satisfactorily predict both the qualitative and quantitative behaviors of these unclosed terms for a range of filter widths Delta, for two different choices of reaction progress variable in the case of the detailed chemistry DNS dataset considered in this analysis. C1 [Gao, Y.; Chakraborty, N.] Newcastle Univ, Sch Mech & Syst Engn, Claremont Rd, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. [Minamoto, Y.] Sandia Natl Labs, Combust Res Facil, Livermore, CA USA. [Minamoto, Y.; Tanahashi, M.] Tokyo Inst Technol, Dept Mech & Aerosp Engn, Tokyo, Japan. RP Chakraborty, N (reprint author), Newcastle Univ, Sch Mech & Syst Engn, Claremont Rd, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. EM nilanjan.chakraborty@ncl.ac.uk FU Engineering and Physical Science (EPSRC) research council of the UK [EP/I028013/1, EP/K025163/1]; United States Department of Energy [DE-AC04-94AL85000] FX The financial assistance of the Engineering and Physical Science (EPSRC) research council of the UK (EP/I028013/1 and EP/K025163/1) and computational support of ARCHER and N8 are gratefully acknowledged. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. NR 69 TC 0 Z9 0 U1 1 U2 1 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 2016 VL 188 IS 9 SI SI BP 1398 EP 1423 DI 10.1080/00102202.2016.1195821 PG 26 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA DX0QN UT WOS:000384069200004 ER PT J AU Kolla, H Zhao, XY Chen, JH Swaminathan, N AF Kolla, Hemanth Zhao, Xin-Yu Chen, Jacqueline H. Swaminathan, N. TI Velocity and Reactive Scalar Dissipation Spectra in Turbulent Premixed Flames SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE Direct numerical simulation; Dissipation spectra; Spectral cascade; Turbulent premixed flames ID DIRECT NUMERICAL-SIMULATION; QUANTITIES LIKE TEMPERATURE; ISOTROPIC TURBULENCE; FRONT STRUCTURE; BUNSEN FLAMES; LENGTH SCALES; JET FLAMES; COMBUSTION; CONDUCTIVITY; DATABASES AB Dissipation spectra of velocity and reactive scalars-temperature and fuel mass fraction-in turbulent premixed flames are studied using direct numerical simulation data of a temporally evolving lean hydrogen-air premixed planar jet (PTJ) flame and a statistically stationary planar lean methane-air (SP) flame. The equivalence ratio in both cases was 0.7, the pressure 1 atm while the unburned temperature was 700 K for the hydrogen-air PTJ case and 300 K for methane-air SP case, resulting in data sets with a density ratio of 3 and 5, respectively. The turbulent Reynolds numbers for the cases ranged from 200 to 428.4, the Damkohler number from 3.1 to 29.1, and the Karlovitz number from 0.1 to 4.5. The dissipation spectra collapse when normalized by the respective Favre-averaged dissipation rates. However, the normalized dissipation spectra in all the cases deviate noticeably from those predicted by classical scaling laws for constant-density turbulent flows and bear a clear influence of the chemical reactions on the dissipative range of the energy cascade. C1 [Kolla, Hemanth; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, POB 969,MS 9051, Livermore, CA 94550 USA. [Zhao, Xin-Yu] Univ Connecticut, Dept Mech Engn, Storrs, CT USA. [Swaminathan, N.] Univ Cambridge, Dept Engn, Cambridge, England. RP Kolla, H (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969,MS 9051, Livermore, CA 94550 USA. EM hnkolla@sandia.gov RI Swaminathan, N/A-7468-2008 OI Swaminathan, N/0000-0003-3338-0698 FU Office of Science of the US Department of Energy [DE-AC05-00OR22725]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy; US Department of Energy SciDAC Program; US DOE [DE-AC04-94AL85000]; Engineering and Physical Sciences Research Council, U.K. FX Computational support for this project was supported by and this research used resources of the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory, which is supported by the Office of Science of the US Department of Energy under contract DE-AC05-00OR22725. The work at Sandia National Laboratories was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy and by the US Department of Energy SciDAC Program. SNL is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company for the US DOE under Contract DE-AC04-94AL85000. NS acknowledges the support of Engineering and Physical Sciences Research Council, U.K. NR 28 TC 0 Z9 0 U1 0 U2 0 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 2016 VL 188 IS 9 SI SI BP 1424 EP 1439 DI 10.1080/00102202.2016.1197211 PG 16 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA DX0QN UT WOS:000384069200005 ER PT J AU Colby, M Yliniemi, L Pezzini, P Tucker, D Bryden, K Tumer, K AF Colby, Mitchell Yliniemi, Logan Pezzini, Paolo Tucker, David Bryden, Kenneth Mark Tumer, Kagan GP ACM TI Multiobjective Neuroevolutionary Control for a Fuel Cell Turbine Hybrid Energy System SO GECCO'16: PROCEEDINGS OF THE 2016 GENETIC AND EVOLUTIONARY COMPUTATION CONFERENCE LA English DT Proceedings Paper CT Genetic and Evolutionary Computation Conference (GECCO) CY JUL 20-24, 2016 CL Denver, CO SP Assoc Comp Machinery Special Interest Grp Genet & Evolutionary Computat DE Multi-objective optimization; PaCcET AB Increased energy demands are driving the development of new power generation technologies with high efficient. Direct fired fuel cell turbine hybrid systems are one such development, which have the potential to dramatically increase power generation efficiency, quickly respond to transient loads (and are generally flexible), and offer fast start up times. However, traditional control techniques are often inadequate in these systems because of extremely high nonlinearities and coupling between system parameters. In this work, we develop multi-objective neural network controller via neuroevolution and the Pareto Concavity Elimination Transformation (PaCcET). In order for the training process to be computationally tractable, we develop a computationally efficient plant simulator based on physical plant data, allowing for rapid fitness assignment. Results demonstrate that the multi-objective algorithm is able to develop a Pareto front of control policies which represent tradeoffs between tracking desired turbine speed profiles and minimizing transient operation of the fuel cell. C1 [Colby, Mitchell; Tumer, Kagan] Oregon State Univ, Corvallis, OR 97331 USA. [Yliniemi, Logan] Univ Nevada, Reno, NV 89557 USA. [Pezzini, Paolo] Ames Lab, Ames, IA USA. [Tucker, David] Natl Energy Technol Lab, Morgantown, WV USA. RP Colby, M (reprint author), Oregon State Univ, Corvallis, OR 97331 USA. EM colbym@engr.orst.edu; logan@unr.edu; ppezzini@ameslab.gov; David.Tucker@netl.doe.gov; kmbryden@iastate.edu; kagan.tumer@oregonstate.edu NR 23 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-4206-3 PY 2016 BP 877 EP 884 DI 10.1145/2908812.2908924 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5UN UT WOS:000382659200111 ER PT J AU Khadka, S Tumer, K Colby, M Tucker, D Pezzini, P Bryden, K AF Khadka, Shauharda Tumer, Kagan Colby, Mitch Tucker, Dave Pezzini, Paolo Bryden, Kenneth GP ACM TI Neuroevolution of a Hybrid Power Plant Simulator SO GECCO'16: PROCEEDINGS OF THE 2016 GENETIC AND EVOLUTIONARY COMPUTATION CONFERENCE LA English DT Proceedings Paper CT Genetic and Evolutionary Computation Conference (GECCO) CY JUL 20-24, 2016 CL Denver, CO SP Assoc Comp Machinery Special Interest Grp Genet & Evolutionary Computat DE Hybrid Performance Project; System Modeling; Evolutionary Algorithms; Novelty Search AB Ever increasing energy demands are driving the development of high-efficiency power generation technologies such as direct-fired fuel cell turbine hybrid systems. Due to lack of an accurate system model, high nonlinearities and high coupling between system parameters, traditional control strategies are often inadequate. To resolve this problem, learning based controllers trained using neuroevolution are currently being developed. In order for the neuroevolution of these controllers to be computationally tractable, a computationally efficient simulator of the plant is required. Despite the availability of real-time sensor data from a physical plant, supervised learning techniques such as backpropagation are deficient as minute errors at each step tend to propagate over time. In this paper, we implement a neuroevolutionary method in conjunction with backpropagation to ameliorate this problem. Furthermore, a novelty search method is implemented which is shown to diversify our neural network based-simulator, making it more robust to local optima. Results show that our simulator is able to achieve an overall average error of 0.39% and a maximum error of 1.26% for any state variable averaged over the time-domain simulation of the hybrid power plant. C1 [Khadka, Shauharda; Tumer, Kagan; Colby, Mitch] Oregon State Univ, Corvallis, OR 97331 USA. [Tucker, Dave] NETL, Washington, DC USA. [Pezzini, Paolo; Bryden, Kenneth] Ames Lab, Ames, IA USA. RP Khadka, S (reprint author), Oregon State Univ, Corvallis, OR 97331 USA. EM khadkas@oregonstate.edu; kagan.tumer@oregonstate.edu; colbym@engr.orst.edu; david.tucker@netl.doe.gov; ppezzini@ameslab.gov; kmbryden@iastate.edu NR 19 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-4206-3 PY 2016 BP 917 EP 924 DI 10.1145/2908812.2908948 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5UN UT WOS:000382659200116 ER PT J AU Asay-Davis, XS Cornford, SL Durand, G Galton-Fenzi, BK Gladstone, RM Gudmundsson, GH Hattermann, T Holland, DM Holland, D Holland, PR Martin, DF Mathiot, P Pattyn, F Seroussi, H AF Asay-Davis, Xylar S. Cornford, Stephen L. Durand, Gael Galton-Fenzi, Benjamin K. Gladstone, Rupert M. Gudmundsson, G. Hilmar Hattermann, Tore Holland, David M. Holland, Denise Holland, Paul R. Martin, Daniel F. Mathiot, Pierre Pattyn, Frank Seroussi, Helene TI Experimental design for three interrelated marine ice sheet and ocean model intercomparison projects: MISMIP v. 3 (MISMIP+), ISOMIP v. 2 (ISOMIP+) and MISOMIP v. 1 (MISOMIP1) SO GEOSCIENTIFIC MODEL DEVELOPMENT LA English DT Article ID PINE ISLAND GLACIER; GROUNDING-LINE; WEST ANTARCTICA; COUPLED MODEL; HIGHER-ORDER; SHELF; PARAMETERIZATION; CIRCULATION; DYNAMICS; SENSITIVITY AB Coupled ice sheet-ocean models capable of simulating moving grounding lines are just becoming available. Such models have a broad range of potential applications in studying the dynamics of marine ice sheets and tidewater glaciers, from process studies to future projections of ice mass loss and sea level rise. The Marine Ice Sheet-Ocean Model Intercomparison Project ( MISOMIP) is a community effort aimed at designing and coordinating a series of model intercomparison projects ( MIPs) for model evaluation in idealized setups, model verification based on observations, and future projections for key regions of the West Antarctic Ice Sheet ( WAIS). Here we describe computational experiments constituting three interrelated MIPs for marine ice sheet models and regional ocean circulation models incorporating ice shelf cavities. These consist of ice sheet experiments under the Marine Ice Sheet MIP third phase ( MISMIP+), ocean experiments under the Ice Shelf-Ocean MIP second phase ( ISOMIP+) and coupled ice sheet-ocean experiments under the MISOMIP first phase ( MISOMIP1). All three MIPs use a shared domain with idealized bedrock topography and forcing, allowing the coupled simulations ( MISOMIP1) to be compared directly to the individual component simulations ( MISMIP+ and ISOMIP+). The experiments, which have qualitative similarities to Pine Island Glacier Ice Shelf and the adjacent region of the Amundsen Sea, are designed to explore the effects of changes in ocean conditions, specifically the temperature at depth, on basal melting and ice dynamics. In future work, differences between model results will form the basis for the evaluation of the participating models. C1 [Asay-Davis, Xylar S.] Potsdam Inst Climate Impact Res, Earth Syst Anal, Potsdam, Germany. [Cornford, Stephen L.] Univ Bristol, Ctr Polar Observat & Modelling, Bristol, Avon, England. [Durand, Gael] CNRS, LGGE, F-38041 Grenoble, France. [Durand, Gael] Univ Grenoble Alpes, LGGE, F-38041 Grenoble, France. [Galton-Fenzi, Benjamin K.] Australian Antarctic Div, Kingston, Tas, Australia. [Galton-Fenzi, Benjamin K.; Gladstone, Rupert M.] Antarctic Climate & Ecosyst Cooperat Res Ctr, Hobart, Tas, Australia. [Gladstone, Rupert M.] Swiss Fed Inst Technol, Versuchsanstalt Wasserbau Hydrol & Glaziol VAW, Zurich, Switzerland. [Gudmundsson, G. Hilmar; Holland, Paul R.; Mathiot, Pierre] British Antarctic Survey, Cambridge, England. [Hattermann, Tore] Akvaplan Niva, Tromso, Norway. [Hattermann, Tore] Helmholtz Ctr Polar & Marine Res, Alfred Wegener Inst, Bremerhaven, Germany. [Holland, David M.] NYU, Courant Inst Math Sci, New York, NY USA. [Holland, Denise] New York Univ Abu Dhabi, Ctr Global Sea Level Change, Abu Dhabi, U Arab Emirates. [Martin, Daniel F.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Mathiot, Pierre] Met Off, Exeter, Devon, England. [Pattyn, Frank] Univ Libre Bruxelles, Lab Glaciol, Brussels, Belgium. [Seroussi, Helene] CALTECH, Jet Prop Lab, Pasadena, CA USA. RP Asay-Davis, XS (reprint author), Potsdam Inst Climate Impact Res, Earth Syst Anal, Potsdam, Germany. EM xylar.asay-davis@pik-potsdam.de RI Holland, Paul/G-2796-2012; OI Cornford, Stephen/0000-0003-1844-274X; Pattyn, Frank/0000-0003-4805-5636 FU US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-SC0011982, DE-SC0013038]; NYU Abu Dhabi grant [G1204]; Office of Science of the US Department of Energy [DE-AC02-05CH11231]; European Union [299035]; Office of Science, Office of Advanced Scientific Computing Research, of the US Department of Energy [DE-AC02-05CH11231] FX This material is based upon work supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research under award nos. DE-SC0011982 and DE-SC0013038. Support was provided through NYU Abu Dhabi grant G1204. Simulation results were produced using resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under contract no. DE-AC02-05CH11231. This work has received funding from the European Union Seventh Framework Programme (FP7/2007-2013) under grant agreement number 299035. Work at the Lawrence Berkeley National Laboratory was supported by the Director, Office of Science, Office of Advanced Scientific Computing Research, of the US Department of Energy under contract no. DE-AC02-05CH11231. NR 59 TC 4 Z9 4 U1 2 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 2016 VL 9 IS 7 BP 2471 EP 2497 DI 10.5194/gmd-9-2471-2016 PG 27 WC Geosciences, Multidisciplinary SC Geology GA DT4EE UT WOS:000381432100005 ER PT J AU Karbowski, D Sokolov, V Jongryeol, J AF Karbowski, Dominik Sokolov, Vadim Jongryeol, Jeong TI Fuel Saving Potential of Optimal Route-Based Control for Plug-in Hybrid Electric Vehicle SO IFAC PAPERSONLINE LA English DT Proceedings Paper CT 8th IFAC Symposium on Advances in Automotive Control (AAC) CY JUN 20-23, 2016 CL Norrkoping, SWEDEN SP Int Federat Automat Control Tech Comm 7 1 Automot Contol, Int Federat Automat Control Tech Comm 4 2 Mechatron Syst, Int Federat Automat Control Tech Comm 4 5 Human Machine Syst, Int Federat Automat Control Tech Comm 6 4 Fault Detect, Supervis & Safety Tech Proc, Int Federat Automat Control Tech Comm 7 4 Transportat Syst, Int Federat Automat Control Tech Comm 7 5 Intelligent Autonomous Vehicles, Int Federat Automat Control Tech Comm 9 4 Control Educ DE hybrid vehicle; energy management; optimization ID ENERGY-MANAGEMENT; STRATEGY; ECMS AB In this paper, we evaluate the fuel savings of a plug-in hybrid electric vehicle (PREV) that uses an optimal controller, itself based on the Pontryagin Minimum Principle (PMP). A process was developed to synthesize speed profiles through a combination of Markov chains and information from a digital map about the future route. In a potential real-world scenario, the future trip (speed, grade, stops, etc.) can be estimated, but not deterministically known. The stochastic trip prediction process models such uncertainty. A PMP strategy was implemented in a Simulink controller for a model of Prius-like PHEV and compared to a baseline strategy using Autonomie, an automotive modeling environment. Multiple real-world itineraries were defined in urban areas with various environments, and for each of them multiple speed profiles were synthesized so as to provide a statistically representative dataset, and finally fuel savings were evaluated with the optimal control. (C) 2016, IFAC (International Federation of Automatic Control) Hosting by Elsevier Ltd. All rights reserved. C1 [Karbowski, Dominik; Sokolov, Vadim; Jongryeol, Jeong] Argonne Natl Lab, Ctr Transportat Res, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Karbowski, D (reprint author), Argonne Natl Lab, Ctr Transportat Res, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dkarbowski@anl.gov; vsokolov@anl.gov; pmichel@anl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2405-8963 J9 IFAC PAPERSONLINE JI IFAC PAPERSONLINE PY 2016 VL 49 IS 11 BP 128 EP 133 DI 10.1016/j.ifacol.2016.08.020 PG 6 GA DW2HV UT WOS:000383464400020 ER PT J AU Ke, WJ Zhao, DW Xiao, CX Wang, CL Cimaroli, AJ Grice, CR Yang, MJ Li, Z Jiang, CS Al-Jassim, M Zhu, K Kanatzidis, MG Fang, GJ Yan, YF AF Ke, Weijun Zhao, Dewei Xiao, Chuanxiao Wang, Changlei Cimaroli, Alexander J. Grice, Corey R. Yang, Mengjin Li, Zhen Jiang, Chun-Sheng Al-Jassim, Mowafak Zhu, Kai Kanatzidis, Mercouri G. Fang, Guojia Yan, Yanfa TI Cooperative tin oxide fullerene electron selective layers for high-performance planar perovskite solar cells SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID ORGANOLEAD TRIHALIDE PEROVSKITE; ORGANOMETAL HALIDE PEROVSKITES; LOW-TEMPERATURE; SEQUENTIAL DEPOSITION; ANOMALOUS HYSTERESIS; PHOTOVOLTAIC CELLS; BLOCKING LAYER; EFFICIENT; CH3NH3PBI3; FILM AB Both tin oxide (SnO2) and fullerenes have been reported as electron selective layers (ESLs) for producing efficient lead halide perovskite solar cells. Here, we report that SnO2 and fullerenes can work cooperatively to further boost the performance of perovskite solar cells. We find that fullerenes can be redissolved during perovskite deposition, allowing ultra-thin fullerenes to be retained at the interface and some dissolved fullerenes infiltrate into perovskite grain boundaries. The SnO2 layer blocks holes effectively; whereas, the fullerenes promote electron transfer and passivate both the SnO2/perovskite interface and perovskite grain boundaries. With careful device optimization, the best-performing planar perovskite solar cell using a fullerene passivated SnO2 ESL has achieved a steady-state efficiency of 17.75% and a power conversion efficiency of 19.12% with an open circuit voltage of 1.12 V, a short-circuit current density of 22.61 mA cm(-2), and a fill factor of 75.8% when measured under reverse voltage scanning. We find that the partial dissolving of fullerenes during perovskite deposition is the key for fabricating high-performance perovskite solar cells based on metal oxide/fullerene ESLs. C1 [Ke, Weijun; Zhao, Dewei; Wang, Changlei; Cimaroli, Alexander J.; Grice, Corey R.; Yan, Yanfa] Univ Toledo, Wright Ctr Photovolta Innovat & Commercializat, Dept Phys & Astron, Toledo, OH 43606 USA. [Ke, Weijun; Fang, Guojia] Wuhan Univ, Sch Phys & Technol, Key Lab Artificial Micro & Nanostruct, Minist Educ China, Wuhan 430072, Peoples R China. [Ke, Weijun; Xiao, Chuanxiao; Yang, Mengjin; Li, Zhen; Jiang, Chun-Sheng; Al-Jassim, Mowafak; Zhu, Kai] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Fang, GJ; Yan, YF (reprint author), Univ Toledo, Wright Ctr Photovolta Innovat & Commercializat, Dept Phys & Astron, Toledo, OH 43606 USA.; Fang, GJ (reprint author), Wuhan Univ, Sch Phys & Technol, Key Lab Artificial Micro & Nanostruct, Minist Educ China, Wuhan 430072, Peoples R China. EM gjfang@whu.edu.cn; yanfa.yan@utoledo.edu OI Grice, Corey/0000-0002-0841-5943; Yang, Mengjin/0000-0003-2019-4298 FU U.S. Department of Energy (DOE) SunShot Initiative under the Next Generation Photovoltaics 3 program [DE-FOA-0000990]; Ohio Research Scholar Program; National High Technology Research and Development Program [2015AA050601]; National Natural Science Foundation of China [61376013, 91433203, J1210061]; U.S. Department of Energy [DE-AC36-08-GO28308] FX This work was funded in part by the U.S. Department of Energy (DOE) SunShot Initiative under the Next Generation Photovoltaics 3 program (DE-FOA-0000990) and the Ohio Research Scholar Program. W. J. K. and G. J. F. acknowledge the support from the National High Technology Research and Development Program (2015AA050601), the National Natural Science Foundation of China (61376013, 91433203, J1210061). M. J. Y. and Z. L. and K. Z. acknowledge the support from the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308. NR 67 TC 4 Z9 4 U1 28 U2 28 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 2016 VL 4 IS 37 BP 14276 EP 14283 DI 10.1039/c6ta05095f PG 8 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA DX5TF UT WOS:000384444200024 ER PT J AU Shinde, A Li, G Zhou, L Guevarra, D Suram, SK Toma, FM Yan, Q Haber, JA Neaton, JB Gregoire, JM AF Shinde, A. Li, G. Zhou, L. Guevarra, D. Suram, S. K. Toma, F. M. Yan, Q. Haber, J. A. Neaton, J. B. Gregoire, J. M. TI The role of the CeO2/BiVO4 interface in optimized Fe-Ce oxide coatings for solar fuels photoanodes SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID PHOTOELECTROCHEMICAL WATER OXIDATION; OXYGEN EVOLUTION CATALYSTS; DENSITY-FUNCTIONAL THEORY; DOPED BIVO4 PHOTOANODES; AUGMENTED-WAVE METHOD; BISMUTH VANADATE; AB-INITIO; CHARGE SEPARATION; EFFICIENT; ELECTROCATALYSTS AB Solar fuel generators entail a high degree of materials integration, and efficient photoelectrocatalysis of the constituent reactions hinges upon the establishment of highly functional interfaces. The recent application of high throughput experimentation to interface discovery for solar fuels photoanodes has revealed several surprising and promising mixed-metal oxide coatings for BiVO4. Using sputter deposition of composition and thickness gradients on a uniform BiVO4 film, we systematically explore photoanodic performance as a function of the composition and loading of Fe-Ce oxide coatings. This combinatorial materials integration study not only enhances the performance of this new class of materials but also identifies CeO2 as a critical ingredient that merits detailed study. A heteroepitaxial CeO2(001)/BiVO4(010) interface is identified in which Bi and V remain fully coordinated to O such that no surface states are formed. Ab initio calculations of the integrated materials and inspection of the electronic structure reveals mechanisms by which CeO2 facilitates charge transport while mitigating deleterious recombination. The results support the observations that addition of Ce to BiVO4 coatings greatly enhances photoelectrocatalytic activity, providing an important strategy for developing a scalable solar fuels technology. C1 [Shinde, A.; Zhou, L.; Guevarra, D.; Suram, S. K.; Haber, J. A.; Gregoire, J. M.] CALTECH, Joint Ctr Artificial Photosynth, Pasadena, CA 91125 USA. [Li, G.; Toma, F. M.; Neaton, J. B.] Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Toma, F. M.] Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA 94720 USA. [Yan, Q.; Neaton, J. B.] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Yan, Q.; Neaton, J. B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Neaton, J. B.] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. RP Haber, JA; Gregoire, JM (reprint author), CALTECH, Joint Ctr Artificial Photosynth, Pasadena, CA 91125 USA.; Neaton, JB (reprint author), Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.; Neaton, JB (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.; Neaton, JB (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Neaton, JB (reprint author), Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. EM jahaber@caltech.edu; jbneaton@lbl.gov; gregoire@caltech.edu FU Office of Science of the U.S. Department of Energy [DE-SC0004993] FX This material is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy (Award No. DE-SC0004993). A. Shinde, G. Li and L. Zhou contributed equally to this work. The authors thank Ian Sharp for insightful discussions and Xinghao Zhou for assistance with AFM experiments. NR 47 TC 0 Z9 0 U1 16 U2 16 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 2016 VL 4 IS 37 BP 14356 EP 14363 DI 10.1039/c6ta04746g PG 8 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA DX5TF UT WOS:000384444200033 ER PT J AU Schmidt, P Handy, R Anderson, T Rees, T Morrell, J Williams, W Jackson, M AF Schmidt, P. Handy, R. Anderson, T. Rees, T. Morrell, J. Williams, W. Jackson, M. TI Residual surface stress: comparing traditional and modulated tool path machining processes SO MATERIALS SCIENCE AND TECHNOLOGY LA English DT Article DE Modulated tool path (MTP); Bragg's law; Diffractogram; Lattice spacing; Tilt angle ID X-RAY; DIFFRACTION; VIBRATION; STEEL AB Traditional machining processes, where material is removed by a cutting tool from a workpiece, can introduce residual stresses at the surface of machined pieces. This paper provides an examination of an alternative machining methodology called modulated tool path machining. The ultimate objective of this research is to determine the effects of modulated tooling path machining processes, as applied to control chip geometry, on the surface stress of selected materials. Residual stresses in machined samples were characterised through the use of X-ray diffraction by comparing the modulated path method with a more traditional material removal technique (i.e. constant surface speed and constant contact). C1 [Schmidt, P.; Handy, R.; Anderson, T.; Williams, W.] Univ North Carolina Charlotte, Coll Engn, Charlotte, NC 28223 USA. [Rees, T.] Univ Utah, Dept Family & Prevent Med, Salt Lake City, UT USA. [Morrell, J.] US DOE, Y12, Oak Ridge, TN USA. [Jackson, M.] Kansas State Univ Salina, Coll Technol, Salina, KS USA. RP Handy, R (reprint author), Univ North Carolina Charlotte, Coll Engn, Charlotte, NC 28223 USA. EM rod.handy@hsc.utah.edu NR 32 TC 1 Z9 1 U1 1 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0267-0836 EI 1743-2847 J9 MATER SCI TECH-LOND JI Mater. Sci. Technol. PY 2016 VL 32 IS 14 BP 1471 EP 1483 DI 10.1080/02670836.2016.1198113 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DX6DI UT WOS:000384472900007 ER PT J AU Bonnemaison, ML Duffy, ME Mains, RE Vogt, S Eipper, BA Ralle, M AF Bonnemaison, Mathilde L. Duffy, Megan E. Mains, Richard E. Vogt, Stefan Eipper, Betty A. Ralle, Martina TI Copper, zinc and calcium: imaging and quantification in anterior pituitary secretory granules SO METALLOMICS LA English DT Article ID ALPHA-AMIDATING MONOOXYGENASE; TRANS-GOLGI NETWORK; ATT-20 CELLS; HYDROXYLATING MONOOXYGENASE; METALLOCARBOXYPEPTIDASE D; BIOACTIVE PEPTIDES; CONTENT PROTEINS; GROWTH-HORMONE; LOCALIZATION; PH AB The anterior pituitary is specialized for the synthesis, storage and release of peptide hormones. The activation of inactive peptide hormone precursors requires a specific set of proteases and other post-translational processing enzymes. High levels of peptidylglycine a-amidating monooxygenase (PAM), an essential peptide processing enzyme, occur in the anterior pituitary. PAM, which converts glycine-extended peptides into amidated products, requires copper and zinc to support its two catalytic activities and calcium for structure. We used X-ray fluorescence microscopy on rat pituitary sections and inductively coupled plasma mass spectrometry on subcellular fractions prepared from rat anterior pituitary to localize and quantify copper, zinc and calcium. X-ray fluorescence microscopy indicated that the calcium concentration in pituitary tissue was about 2.5 mM, 10-times more than zinc and 50-times more than copper. Although no higher than cytosolic levels, secretory granule levels of copper exceeded PAM levels by a factor of 10. Atp7a, which transports copper into the lumen of the secretory pathway, was enriched in endosomes and Golgi, not in secretory granules. If Atp7a transfers copper directly to PAM, this pH-dependent process is likely to occur in Golgi and endosomes. C1 [Bonnemaison, Mathilde L.; Eipper, Betty A.] UConn Hlth, Dept Mol Biol & Biophys, 263 Farmington Ave, Farmington, CT 06030 USA. [Duffy, Megan E.; Ralle, Martina] OHSU, Dept Mol & Med Genet, Mail Code L103,3181 SW Sam Jackson Pk Rd, Portland, OR 97239 USA. [Mains, Richard E.] UConn Hlth, Dept Neurosci, Farmington, CT 06030 USA. [Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. [Bonnemaison, Mathilde L.] Univ Nebraska Med Ctr, Dept Cellular & Integrat Physiol, Omaha, NE USA. [Duffy, Megan E.] Univ Washington, Sch Oceanog, Seattle, WA 98195 USA. RP Eipper, BA (reprint author), UConn Hlth, Dept Mol Biol & Biophys, 263 Farmington Ave, Farmington, CT 06030 USA.; Ralle, M (reprint author), OHSU, Dept Mol & Med Genet, Mail Code L103,3181 SW Sam Jackson Pk Rd, Portland, OR 97239 USA. EM eipper@uchc.edu; rallem@ohsu.edu FU NIH [DK-32949, S10RR025512]; DOE Office of Science [DE-AC02-06CH11357]; [GM090016] FX This work was supported by NIH DK-32949. ICPMS measurements were performed by the OHSU Elemental Analysis Core with partial support from the NIH core grant S10RR025512 (MR). MR was supported by GM090016. 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 57 TC 0 Z9 0 U1 0 U2 0 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 2016 VL 8 IS 9 BP 1012 EP 1022 DI 10.1039/c6mt00079g PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA DX3XQ UT WOS:000384311300022 PM 27426256 ER PT J AU Voylov, DN Ivanov, IN Bykov, VI Tsybenova, SB Merkulov, IA Kurochkin, SA Holt, AP Kisliuk, AM Sokolov, AP AF Voylov, D. N. Ivanov, I. N. Bykov, V. I. Tsybenova, S. B. Merkulov, I. A. Kurochkin, S. A. Holt, A. P. Kisliuk, A. M. Sokolov, A. P. TI Oscillatory behaviour of the surface reduction process of multilayer graphene oxide at room temperature SO RSC ADVANCES LA English DT Article ID GRAPHITE OXIDE; OXIDATIVE DEHYDROGENATION; THERMAL REDUCTION; C-H; SHEETS; FUNCTIONALIZATION; SPECTROSCOPY; SCATTERING; STABILITY; CATALYSTS AB We report the observation of oscillatory redox reactions on the surface of multilayer graphene oxide ( GO) films at room temperature. The redox reactions exhibited dampened oscillatory behavior with a period of about 5 days and were found to be dependent on the time elapsed from film deposition. The kinetic behavior observed for the oxidation-reduction reactions and the metastability of the surface functional groups are adequately described by two models involving GO reactions and reactant diffusion. C1 [Voylov, D. N.; Ivanov, I. N.; Holt, A. P.; Sokolov, A. P.] Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA. [Ivanov, I. N.; Merkulov, I. A.; Kisliuk, A. M.; Sokolov, A. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Bykov, V. I.] RAS, Emanuel Inst Biochem Phys, Moscow 119334, Russia. [Tsybenova, S. B.] Moscow City Teacher Training Univ, Moscow 129226, Russia. [Kurochkin, S. A.] RAS, Inst Problems Chem Phys, Chernogolovka 142432, Russia. RP Voylov, DN; Ivanov, IN (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA.; Ivanov, IN (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. EM dvoylov@utk.edu; ivanovin@ornl.gov OI Voylov, Dmitry/0000-0001-5552-6024 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. A portion of this research was conducted at the Center for Nanophase Materials Sciences ORNL, which is a DOE Office of Science User Facility. D. N. V. thanks Prof. Gustavo A. Carri, Dr Eric Olsen, Prof. Bobby G. Sumpter for the helpful discussions. This manuscript is dedicated to the memory of late Dr Igor A. Merkulov, who passed away on July 4, 2014, while working on revisions to this manuscript. NR 53 TC 0 Z9 0 U1 7 U2 7 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 2016 VL 6 IS 81 BP 78194 EP 78201 DI 10.1039/c6ra14414d PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA DU8RR UT WOS:000382482200121 ER PT J AU Hassanzadeh, H Schmidli, J Langhans, W Schlemmer, L Schar, C AF Hassanzadeh, Hanieh Schmidli, Jurg Langhans, Wolfgang Schlemmer, Linda Schar, Christoph TI Impact of topography on the diurnal cycle of summertime moist convection in idealized simulations SO METEOROLOGISCHE ZEITSCHRIFT LA English DT Article DE Moist convection; Precipitation; Diurnal cycle; Topography; Idealized studies; Summertime ID NUMERICAL WEATHER PREDICTION; BOUNDARY-LAYER EVOLUTION; SANTA-CATALINA MOUNTAINS; COLD-POOL DYNAMICS; OROGRAPHIC PRECIPITATION; DEEP CONVECTION; CELLULAR CONVECTION; CLIMATE SIMULATIONS; STRATIFIED FLOWS; LINEAR-THEORY AB The impact of an isolated mesoscale mountain on the diurnal cycle of moist convection and its spatial variation is investigated. Convection-resolving simulations of flow over 3D Gaussian-shaped mountains are performed for a conditionally unstable atmosphere under diurnal radiative forcing. The results show considerable spatial variability in terms of timing and amount of convective precipitation. This variability relates to different physical mechanisms responsible for convection initiation in different parts of the domain. During the late morning, the mass convergence from the radiatively driven diurnal upslope flow confronting the large-scale incident background flow triggers strong convective precipitation over the mountain lee slope. As a consequence, instabilities in the boundary layer are swept out by the emerging cold pool in the vicinity of the mountain, and some parts over the mountain near-field receive less rainfall than the far-field. Over the latter, an unperturbed boundary-layer growth allows for sporadic convective initiation. Still, secondary convection triggered over the leading edge of the cold pool spreads some precipitation over the downstream near-field. Detailed analysis of our control simulation provides further explanation of this frequently observed precipitation pattern over mountains and adjacent plains. Sensitivity experiments indicate a significant influence of the mountain height on the precipitation pattern over the domain. C1 [Hassanzadeh, Hanieh; Schmidli, Jurg; Schlemmer, Linda; Schar, Christoph] Swiss Fed Inst Technol, Inst Atmospher & Climate Sci, Univ Str 16, CH-8092 Zurich, Switzerland. [Langhans, Wolfgang] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Schlemmer, L (reprint author), Swiss Fed Inst Technol, Inst Atmospher & Climate Sci, Univ Str 16, CH-8092 Zurich, Switzerland. EM linda.schlemmer@env.ethz.ch RI Schar, Christoph/A-1033-2008; Langhans, Wolfgang/J-6437-2014; Schmidli, Juerg/G-9282-2012 OI Schar, Christoph/0000-0002-4171-1613; Schmidli, Juerg/0000-0002-6322-6512 FU Swiss National Science Foundation (SNSF) [200021-132614] FX This research was supported by Swiss National Science Foundation (SNSF) grant 200021-132614. Special thanks are given to STEVEN BOING and the two anonymous reviewers for their insightful comments, which improved the quality of the paper. Authors are also grateful for technical support by ANNE ROCHES and DANIEL LUTHI. The numerical simulations have been performed on the Cray XC30 at the Swiss National Supercomputing Centre (CSCS) using the Consortium for Small-scale Modeling in climate mode (COSMO-CLM). NR 60 TC 1 Z9 1 U1 2 U2 2 PU E SCHWEIZERBARTSCHE VERLAGSBUCHHANDLUNG PI STUTTGART PA NAEGELE U OBERMILLER, SCIENCE PUBLISHERS, JOHANNESSTRASSE 3A, D 70176 STUTTGART, GERMANY SN 0941-2948 EI 1610-1227 J9 METEOROL Z JI Meteorol. Z. PY 2016 VL 25 IS 2 BP 181 EP 194 DI 10.1127/metz/2015/0653 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DM2EU UT WOS:000376160400006 ER PT J AU Park, BH Ozmen, O Weigand, G Shankar, M AF Park, Byung H. Ozmen, Ozgur Weigand, Gil Shankar, Mallikarjun GP IEEE TI High-Performance Computing Framework for Predictive Simulation of Healthcare Delivery Innovation SO 2016 3RD IEEE EMBS INTERNATIONAL CONFERENCE ON BIOMEDICAL AND HEALTH INFORMATICS LA English DT Proceedings Paper CT 3rd IEEE EMBS International Conference on Biomedical and Health Informatics (IEEE BHI) CY FEB 24-27, 2016 CL Las Vegas, NV SP IEEE EMBS, IEEE, Journal of Biomed & Hlth Informat, IEEE Commun Soc ID SYSTEMS SCIENCE AB In a complex healthcare delivery environment there are unforeseen risks and uncertainties that may unfold when new policies are applied. In silico predictive simulation approaches allow exploration of potential responses of a system to new policy and rule implementations. The validity of such computational models comes into question unless they operate with realistic representations which require significant modeling detail over a large-scale, and with high accuracy. This necessitates a large amount of computing capacity and data management. To address these needs we propose a high-performance computing (HPC) agent-based framework for healthcare system predictive simulations. The framework is designed to emulate a healthcare system modeled at high fidelity and with high resolution data, evaluate its performance in response to different user defined policies, and find polices that maximize outcome measures and system efficiency. The paper details our data preparation procedures, and describes how the framework is implemented and run on a supercomputer to model a healthcare system at an appropriately large scale. C1 [Park, Byung H.; Ozmen, Ozgur; Weigand, Gil; Shankar, Mallikarjun] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Shankar, M (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM shankarm@ornl.gov NR 17 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-5090-2455-1 PY 2016 BP 517 EP 520 PG 4 WC Computer Science, Information Systems; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF4NB UT WOS:000381398000128 ER PT J AU Yoon, HJ Tourassi, G AF Yoon, Hong-Jun Tourassi, Georgia GP IEEE TI Investigating the Association Between Sociodemographic Factors and Lung Cancer Risk Using Cyber Informatics SO 2016 3RD IEEE EMBS INTERNATIONAL CONFERENCE ON BIOMEDICAL AND HEALTH INFORMATICS LA English DT Proceedings Paper CT 3rd IEEE EMBS International Conference on Biomedical and Health Informatics (IEEE BHI) CY FEB 24-27, 2016 CL Las Vegas, NV SP IEEE EMBS, IEEE, Journal of Biomed & Hlth Informat, IEEE Commun Soc AB Openly available online sources can be very valuable for executing in silico case-control epidemiological studies. Adjustment of confounding factors to isolate the association between an observing factor and disease is essential for such studies. However, such information is not always readily available online. This paper suggests natural language processing methods for extracting socio-demographic information from content openly available online. Feasibility of the suggested method is demonstrated by performing a case-control study focusing on the association between age, gender, and income level and lung cancer risk. The study shows stronger association between older age and lower socioeconomic status and higher lung cancer risk, which is consistent with the findings reported in traditional cancer epidemiology studies. C1 [Yoon, Hong-Jun; Tourassi, Georgia] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yoon, HJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM yoonh@ornl.gov; tourassig@ornl.gov NR 9 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-5090-2455-1 PY 2016 BP 557 EP 560 PG 4 WC Computer Science, Information Systems; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF4NB UT WOS:000381398000138 ER PT J AU Yoon, HJ Xu, SH Tourassi, G AF Yoon, Hong-Jun Xu, Songhua Tourassi, Georgia GP IEEE TI Predicting Lung Cancer Incidence from Air Pollution Exposures Using Shapelet-based Time Series Analysis SO 2016 3RD IEEE EMBS INTERNATIONAL CONFERENCE ON BIOMEDICAL AND HEALTH INFORMATICS LA English DT Proceedings Paper CT 3rd IEEE EMBS International Conference on Biomedical and Health Informatics (IEEE BHI) CY FEB 24-27, 2016 CL Las Vegas, NV SP IEEE EMBS, IEEE, Journal of Biomed & Hlth Informat, IEEE Commun Soc AB In this paper we investigated whether the geographical variation of lung cancer incidence can be predicted through examining the spatiotemporal trend of particulate matter air pollution levels. Regional trends of air pollution levels were analyzed by a novel shapelet-based time series analysis technique. First, we identified U.S. counties with reportedly high and low lung cancer incidence between 2008 and 2012 via the State Cancer Profiles provided by the National Cancer Institute. Then, we collected particulate matter exposure levels (PM2.5 and PM10) of the counties for the previous decade (1998-2007) via the AirData dataset provided by the Environmental Protection Agency. Using shapelet-based time series pattern mining, regional environmental exposure profiles were examined to identify frequently occurring sequential exposure patterns. Finally, a binary classifier was designed to predict whether a U.S. region is expected to experience high lung cancer incidence based on the region's PM2.5 and PM10 exposure the decade prior. The study confirmed the association between prolonged PM exposure and lung cancer risk. In addition, the study findings suggest that not only cumulative exposure levels but also the temporal variability of PM exposure influence lung cancer risk. C1 [Yoon, Hong-Jun; Tourassi, Georgia] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Xu, Songhua] New Jersey Inst Technol, Dept Informat Syst, Newark, NJ 07102 USA. RP Yoon, HJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM yoonh@ornl.gov; xus1@njit.edu; tourassig@ornl.gov NR 10 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-5090-2455-1 PY 2016 BP 565 EP 568 PG 4 WC Computer Science, Information Systems; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF4NB UT WOS:000381398000140 ER PT S AU Pulcherio, M Renjit, AA Illindala, MS Khalsa, AS Eto, JH AF Pulcherio, Mariana Renjit, Ajit A. Illindala, Mahesh S. Khalsa, Amrit S. Eto, Joseph H. GP IEEE TI Evaluation of Control Methods to Prevent Prime-mover Stalling in a Mixed Source Microgrid SO 2016 IEEE/IAS 52ND INDUSTRIAL AND COMMERCIAL POWER SYSTEMS TECHNICAL CONFERENCE (I&CPS) SE IEEE Industrial and Commercial Power Systems and Technical Conference LA English DT Proceedings Paper CT IEEE/IAS 52nd Industrial & Commercial Power Systems Technical Conference (I&CPS) CY MAY 01-05, 2016 CL Detroit, MI SP IEEE, IAS, Ind & Commercial Power Syst DE Energy resources; governors; industrial power systems; inverters; power system modeling; synchronous generators; control systems; internal combustion engines AB For a microgrid with a mix of distributed energy resources (DERs), major challenges on its survivability are found in the islanded condition. In particular, a sudden loss of generation or a large and fluctuating load could force the microgrid to operate near its capacity limits. Such a situation can cause a cascading collapse of the system, even when the load demand is within the DER's kW rating - as observed during several tests at the Consortium for Electric Reliability Technology Solutions (CERTS) Microgrid Test Bed. This paper analyzes the prime-mover stalling phenomena behind the system collapse. It highlights how the reserve margin of the system is lowered during transient conditions. Furthermore, two control methods are evaluated to resolve the microgrid collapse problem. C1 [Pulcherio, Mariana; Renjit, Ajit A.; Illindala, Mahesh S.] Ohio State Univ, Columbus, OH 43210 USA. [Khalsa, Amrit S.] Amer Elect Power Co, Groveport, OH 43125 USA. [Eto, Joseph H.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Pulcherio, M (reprint author), Ohio State Univ, Columbus, OH 43210 USA. EM costa.85@osu.edu; renjit.1@osu.edu; millindala@ieee.org; askhalsa@aep.com; jheto@lbl.gov NR 24 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2163-9604 BN 978-1-4673-8672-2 J9 IND COMMER POWER PY 2016 PG 9 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF6JY UT WOS:000383222500031 ER PT S AU Lentine, AL DeRose, CT AF Lentine, Anthony L. DeRose, Christopher T. BE Dingel, BB Tsukamoto, K TI Challenges in the implementation of dense wavelength division multiplexed (DWDM) optical interconnects using resonant silicon photonics SO BROADBAND ACCESS COMMUNICATION TECHNOLOGIES X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Broadband Access Communication Technologies X CY FEB 16-17, 2016 CL San Francisco, CA SP SPIE DE Silicon; Photonics; Optical; Interconnect ID EFFICIENCY; TECHNOLOGY; LASER AB Small silicon photonics micro-resonator modulators and filters hold the promise for multi-terabit per-second interconnects at energy consumptions well below 1 pJ/bit. To date, no products exist and little known commercial development is occurring using this technology. Why? In this talk, we review the many challenges that remain to be overcome in bringing this technology from the research labs to the field where they can overcome important commercial, industrial, and national security limitations of existing photonic technologies. C1 [Lentine, Anthony L.; DeRose, Christopher T.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Lentine, AL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM alentine@sandia.gov NR 43 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 978-1-5106-0007-2 J9 PROC SPIE PY 2016 VL 9772 AR 977207 DI 10.1117/12.2217429 PG 10 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BF6KR UT WOS:000383224400006 ER PT S AU Papantonakis, MR Furstenberg, R Nguyen, V Fischer, T Howard, A Adams, K Kendziora, CA McGill, RA AF Papantonakis, Michael R. Furstenberg, Robert Viet Nguyen Fischer, Thomas Howard, Andrew Adams, Katy Kendziora, Christopher A. McGill, R. Andrew BE Fountain, AW TI Persistence of Explosives Under Real World Conditions SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING XVII SE Proceedings of SPIE LA English DT Proceedings Paper CT 17th Meeting of the Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing Conference met as part of the SPIE Defense + Commercial Sensing (DCS) Symposium CY APR 18-20, 2016 CL Baltimore, MD SP SPIE DE Trace explosives detection; 2,4-dinitrotolene; particles; sublimation; humidity; airflow velocity; fingerprint; sieving; test coupon; particle image analysis ID FINGERPRINT FORMATION; THERMAL PLUME; AIR-FLOW; TRANSPORT; DYNAMICS; BODY AB Those that handle explosives materials invariably become contaminated with particulates of materials, which become entrapped in the grooves of the fingers and are then transferred by contact to other surfaces. These particles provide an evidentiary trail which is useful for security applications, a fact which is enhanced by the fact that many explosives materials of interest have low vapor pressures, augmenting their longevity. The persistence or stability of explosives particles on a substrate is a function of several environmental parameters or particle properties, including vapor pressure, particle size and geometry, airflow, particle field size, substrate topography, humidity, reactivity, adlayers, admixtures, particle areal density, and temperature. In this work we deposited particles of 2,4-dinitrotoluene on standard microscope glass slides by particle sieving and studied their sublimation as a function of temperature and relative humidity. A custom airflow cell allowed us to monitor the particles with in situ photomicroscopy while keeping the airflow over the particles, substrate type, and areal field size constant for each experiment. We define the size-independent radial sublimation velocity for the equivalent sphere of a particle as the parameter to characterize the sublimation rate. The dependence of the sublimation rate for an ensemble of particles on temperature was quantified according the radial sublimation velocity, while the sublimation of 2,4-dinintrotoluene was found to independent of relative humidity between 25-90%. C1 [Papantonakis, Michael R.; Furstenberg, Robert; Viet Nguyen; Kendziora, Christopher A.; McGill, R. Andrew] US Naval Res Lab, Washington, DC 20375 USA. [Fischer, Thomas] Fed Off Bundeswehr Equipment IT & In Serv Support, D-56073 Koblenz, Germany. [Howard, Andrew] Amer Soc Engn Educ, Washington, DC USA. [Adams, Katy] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP McGill, RA (reprint author), US Naval Res Lab, Washington, DC 20375 USA. EM mcgill@nrl.navy.mil NR 16 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 978-1-5106-0065-2 J9 PROC SPIE PY 2016 VL 9824 AR UNSP 982419 DI 10.1117/12.2223910 PG 7 WC Agricultural Engineering; Optics SC Agriculture; Optics GA BF6PI UT WOS:000383503600036 ER PT S AU Su, YF Johnson, TJ Olsen, KB AF Su, Yin-Fong Johnson, Timothy J. Olsen, Khris B. BE Fountain, AW TI Raman Spectroscopy for Analysis of Thorium Compounds SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING XVII SE Proceedings of SPIE LA English DT Proceedings Paper CT 17th Meeting of the Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing Conference met as part of the SPIE Defense + Commercial Sensing (DCS) Symposium CY APR 18-20, 2016 CL Baltimore, MD SP SPIE DE Thorium oxide; thorium fluoride; thorium carbonate; thorium oxalate; Raman spectroscopy; FT-Raman spectroscopy; chemometrics ID STANDOFF DETECTION; SPECTROMETERS; CALIBRATION; INTENSITIES; EXPLOSIVES; LIBRARIES AB The thorium fuel cycle is an alternative to the uranium fuel cycle in that when Th-232 is irradiated with neutrons it is converted to U-233, another fissile isotope. There are several chemical forms of thorium which are used in the Th fuel cycle. Recently, Raman spectroscopy has become a very portable and facile analytical technique useful for many applications, including e.g. determining the chemical composition of different materials such as for thorium compounds. The technique continues to improve with the development of ever-more sensitive instrumentation and better software. Using a laboratory Fourier-transform (FT)-Raman spectrometer with a 785 nm wavelength laser, we were able to obtain Raman spectra from a series of thorium-bearing compounds of unknown origin. These spectra were compared to the spectra of in-stock-laboratory thorium compounds including e.g. ThO2, ThF4, Th(CO3)(2) and Th(C2O4)(2). The unknown spectra showed very good agreement to the known standards, demonstrating the applicability of Raman spectroscopy for detection and identification of these nuclear materials. C1 [Su, Yin-Fong; Johnson, Timothy J.; Olsen, Khris B.] Pacific Northwest Natl Lab, POB 999, Richland, WA 99354 USA. RP Johnson, TJ (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99354 USA. EM timothy.johnson@pnnl.gov NR 28 TC 0 Z9 0 U1 4 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 978-1-5106-0065-2 J9 PROC SPIE PY 2016 VL 9824 AR UNSP 982415 DI 10.1117/12.2224688 PG 9 WC Agricultural Engineering; Optics SC Agriculture; Optics GA BF6PI UT WOS:000383503600032 ER PT J AU Choi, SI Lee, SR Ma, C Oliy, B Luo, M Chi, MF Xia, YA AF Choi, Sang-Il Lee, Sujin R. Ma, Cheng Oliy, Bogdan Luo, Ming Chi, Miaofang Xia, Younan TI Facile Synthesis of Rhodium Icosahedra with Controlled Sizes up to 12 nm SO CHEMNANOMAT LA English DT Article DE icosahedron; nanocrystal; reduction kinetics; rhodium ID SHAPE-CONTROLLED SYNTHESIS; PLATINUM ALLOY NANOCRYSTALS; NOBLE-METAL NANOCRYSTALS; FORMIC-ACID OXIDATION; PALLADIUM NANOCRYSTALS; POLYOL SYNTHESIS; NANOPARTICLES; REDUCTION; CATALYSTS; AU AB We report a facile synthesis of Rh icosahedra with average sizes up to 12.0 +/- 0.8 nm through the use of a relatively slow reduction process. By using Rh(acac)(3) as a precursor to Rh and poly(vinyl pyrrolidone) (PVP) as a reducing agent, the reduction kinetics can be manipulated such to promote the formation of twin defects in the Rh nanocrystals. When Rh(acac)(3) is replaced by other precursors containing mono-dentate ligands, single-crystal Rh nanocrystals are obtained due to the acceleration of reduction rate. By in-creasing the molecular weight of PVP from 10000 to 1300 000, the resulting Rh nanocrystals are transformed from single-crystal octahedra to multiply twinned icosahedra and stacking-fault-lined plates. These results suggest that the successful preparation of Rh icosahedra could be facilitated by varying the binding strength of a ligand to Rh in the precursor and/or the molecular weight of PVP to optimize the reduction kinetics. C1 [Choi, Sang-Il; Luo, Ming; Xia, Younan] Georgia Inst Technol, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA. [Choi, Sang-Il; Luo, Ming; Xia, Younan] Emory Univ, Atlanta, GA 30332 USA. [Lee, Sujin R.; Oliy, Bogdan; Xia, Younan] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Ma, Cheng; Chi, Miaofang] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. [Xia, Younan] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. RP Xia, YA (reprint author), Georgia Inst Technol, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA.; Xia, YA (reprint author), Emory Univ, Atlanta, GA 30332 USA.; Xia, YA (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.; Xia, YA (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. EM younan.xia@bme.gatech.edu RI Xia, Younan/E-8499-2011; Ma, Cheng/C-9120-2014 FU NSF [DMR 1215034]; startup funds from Georgia Institute of Technology; China Scholarship Council FX This work was supported in part by a research grant from NSF (DMR 1215034) and startup funds from the Georgia Institute of Technology. As a jointly supervised graduate student from Wuhan University, M. L. was also supported by a fellowship from the China Scholarship Council. NR 43 TC 2 Z9 2 U1 12 U2 12 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY EI 2199-692X J9 CHEMNANOMAT JI ChemNanoMat PD JAN PY 2016 VL 2 IS 1 BP 61 EP 66 DI 10.1002/cnma.201500122 PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DW6OH UT WOS:000383770200010 ER PT S AU Roth, CC Barnes, RA Ibey, BL Glickman, RD Beier, HT AF Roth, Caleb C. Barnes, Ronald A., Jr. Ibey, Bennett L. Glickman, Randolph D. Beier, Hope T. BE Madsen, SJ Yang, VXD Jansen, ED Luo, Q Ding, J Roe, AW Mohanty, SK Thakor, NV TI Short Infrared (IR) Laser Pulses Can Induce Nanoporation SO CLINICAL AND TRANSLATIONAL NEUROPHOTONICS; NEURAL IMAGING AND SENSING; AND OPTOGENETICS AND OPTICAL MANIPULATION SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Clinical and Translational Neurophotonics; Neural Imaging and Sensing; and Optogenetics and Optical Manipulation CY FEB 13-16, 2016 CL San Francisco, CA SP SPIE DE lipid nanopore; thallium; nanoporation; infrared nerve stimulation; action potential (AP) ID OPTICAL STIMULATION; IN-VIVO; PERIPHERAL-NERVE; LIGHT; PERTURBATION AB Short infrared (IR) laser pulses on the order of hundreds of microseconds to single milliseconds with typical wavelengths of 1800-2100 nm, have shown the capability to reversibly stimulate action potentials (AP) in neuronal cells. While the IR stimulation technique has proven successful for several applications, the exact mechanism(s) underlying the AP generation has remained elusive. To better understand how IR pulses cause AP stimulation, we determined the threshold for the formation of nanopores in the plasma membrane. Using a surrogate calcium ion, thallium, which is roughly the same shape and charge, but lacks the biological functionality of calcium, we recorded the flow of thallium ions into an exposed cell in the presence of a battery of channel antagonists. The entry of thallium into the cell indicated that the ions entered via nanopores. The data presented here demonstrate a basic understanding of the fundamental effects of IR stimulation and speculates that nanopores, formed in response to the IR exposure, play an upstream role in the generation of AP. C1 [Roth, Caleb C.] Univ Texas Hlth Sci Ctr San Antonio, Dept Radiol Sci, Sch Med, 7703 Floyd Curl Dr, San Antonio, TX 78229 USA. [Roth, Caleb C.] Engility Corp, Jbsa Ft Sam Houston, TX 78234 USA. [Barnes, Ronald A., Jr.] Oak Ridge Inst Sci & Educ, Jbsa Ft Sam Houston, TX 78234 USA. [Ibey, Bennett L.] US Air Force, Radio Frequency Bioeffects Branch, Bioeffects Div, Human Effectiveness Directorate,Res Lab, 711th Human Performance Wing,4141 Petr Rd, Jbsa Ft Sam Houston, TX 78234 USA. [Glickman, Randolph D.] Univ Texas Hlth Sci Ctr San Antonio, Dept Ophthalmol, Sch Med, 7703 Floyd Curl Dr, San Antonio, TX 78229 USA. [Beier, Hope T.] US Air Force, Opt Radiat Bioeffects Branch, Bioeffects Div, Human Effectiveness Directorate,Res Lab, 711th Human Performance Wing,4141 Petr Rd, Jbsa Fort Sam Houston, TX 78234 USA. RP Roth, CC (reprint author), Univ Texas Hlth Sci Ctr San Antonio, Dept Radiol Sci, Sch Med, 7703 Floyd Curl Dr, San Antonio, TX 78229 USA.; Roth, CC (reprint author), Engility Corp, Jbsa Ft Sam Houston, TX 78234 USA. NR 19 TC 0 Z9 0 U1 3 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 978-1-62841-960-3 J9 PROC SPIE PY 2016 VL 9690 AR UNSP 96901L DI 10.1117/12.2214892 PG 7 WC Neuroimaging; Optics; Physics, Applied; Radiology, Nuclear Medicine & Medical Imaging SC Neurosciences & Neurology; Optics; Physics; Radiology, Nuclear Medicine & Medical Imaging GA BF6KU UT WOS:000383224700021 ER PT S AU Seo, DH Lee, HJ Lee, JU Haas, TJ Jun, YW AF Seo, Daeha Lee, Hunjung Lee, Jung-uk Haas, Thomas J. Jun, Young-wook BE Parak, WJ Osinski, M Liang, XJ TI Monovalent Plasmonic Nanoparticles for Biological Applications SO COLLOIDAL NANOPARTICLES FOR BIOMEDICAL APPLICATIONS XI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Colloidal Nanoparticles for Biomedical Applications XI CY FEB 13-15, 2016 CL San Francisco, CA SP SPIE DE monovalent nanoparticles; nanoparticle bioconjugation; LSPR; gold; silver; DNA; HPLC; single molecule imaging ID GOLD AB The multivalent nature of commercial nanoparticle imaging agents and the difficulties associated with producing monovalent nanoparticles challenge their use in biology, where clustering of target biomolecules can perturb dynamics of biomolecular targets. Here, we report production and purification of monovalent gold and silver nanoparticles for their single molecule imaging application. We first synthesized DNA-conjugated 20 nm and 40 nm gold and silver nanoparticles via conventional metal-thiol chemistry, yielding nanoparticles with mixed valency. By employing an anion-exchange high performance liquid chromatography (AE-HPLC) method, we purified monovalent nanoparticles from the mixtures. To allow efficient peak-separation resolution while keeping the excellent colloidal stability of nanoparticles against harsh purification condition (e.g. high NaCl), we optimized surface properties of nanoparticles by modulating surface functional groups. We characterized the monovalent character of the purified nanoparticles by hybridizing two complementary conjugates, forming dimers. Finally, we demonstrate the use of the monovalent plasmonic nanoprobes as single molecule imaging probes by tracking single TrkA receptors diffusing on the cell membrane and compare to monovalent quantum dot probes. C1 [Seo, Daeha; Lee, Hunjung; Lee, Jung-uk; Haas, Thomas J.; Jun, Young-wook] Univ Calif San Francisco, Dept Otolaryngol, San Francisco, CA 94115 USA. [Seo, Daeha] Univ Calif Berkeley, Dept Chem & Mat Sci & Engn, Berkeley, CA 94720 USA. [Seo, Daeha] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Lee, Jung-uk] Yonsei Univ, Dept Chem, Seoul 120749, South Korea. [Lee, Jung-uk] Inst for Basic Sci Korea, Ctr Nanomed, Seoul 120749, South Korea. RP Jun, YW (reprint author), Univ Calif San Francisco, Dept Otolaryngol, San Francisco, CA 94115 USA. NR 12 TC 0 Z9 0 U1 6 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 978-1-62841-956-6 J9 PROC SPIE PY 2016 VL 9722 AR 97220I DI 10.1117/12.2208635 PG 6 WC Engineering, Biomedical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics SC Engineering; Science & Technology - Other Topics; Materials Science; Optics GA BF6XO UT WOS:000383763300014 ER PT S AU Yang, Y Pan, L Lightstone, FC Merz, KM AF Yang, Y. Pan, L. Lightstone, F. C. Merz, K. M., Jr. BE Voth, GA TI The Role of Molecular Dynamics Potential of Mean Force Calculations in the Investigation of Enzyme Catalysis SO COMPUTATIONAL APPROACHES FOR STUDYING ENZYME MECHANISM, PT A SE Methods in Enzymology LA English DT Review; Book Chapter ID FARNESYLTRANSFERASE TERNARY COMPLEX; PRENYL TRANSFER-REACTION; FREE-ENERGY DIFFERENCES; PROTEIN FARNESYLTRANSFERASE; DRUG-METABOLISM; CYTOCHROME-P450; ACETAMINOPHEN; SELECTIVITY; BINDING; INTERMEDIATE AB The potential of mean force simulations, widely applied in Monte Carlo or molecular dynamics simulations, are useful tools to examine the free energy variation as a function of one or more specific reaction coordinate(s) for a given system. Implementation of the potential of mean force in the simulations of biological processes, such as enzyme catalysis, can help overcome the difficulties of sampling specific regions on the energy landscape and provide useful insights to understand the catalytic mechanism. The potential of mean force simulations usually require many, possibly parallelizable, short simulations instead of a few extremely long simulations and, therefore, are fairly manageable for most research facilities. In this chapter, we provide detailed protocols for applying the potential of mean force simulations to investigate enzymatic mechanisms for several different enzyme systems. C1 [Yang, Y.; Lightstone, F. C.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. [Pan, L.; Merz, K. M., Jr.] Michigan State Univ, E Lansing, MI 48824 USA. RP Merz, KM (reprint author), Michigan State Univ, E Lansing, MI 48824 USA. EM kmerz1@gmail.com NR 51 TC 4 Z9 4 U1 3 U2 3 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-805347-8 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2016 VL 577 BP 1 EP 29 DI 10.1016/bs.mie.2016.05.040 PG 29 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA BF7BJ UT WOS:000383906200002 PM 27498632 ER PT S AU Wu, D Fajer, MI Cao, L Cheng, X Yang, W AF Wu, D. Fajer, M. I. Cao, L. Cheng, X. Yang, W. BE Voth, GA TI Generalized Ensemble Sampling of Enzyme Reaction Free Energy Pathways SO COMPUTATIONAL APPROACHES FOR STUDYING ENZYME MECHANISM, PT A SE Methods in Enzymology LA English DT Review; Book Chapter ID MOLECULAR-DYNAMICS SIMULATIONS; STRING METHOD; ORTHOGONAL SPACE; STATISTICAL-MECHANICS; COMPUTER-SIMULATIONS; BIOMOLECULAR SYSTEMS; PROTON SOLVATION; RARE EVENTS; MONTE-CARLO; RANDOM-WALK AB Free energy path sampling plays an essential role in computational understanding of chemical reactions, particularly those occurring in enzymatic environments. Among a variety of molecular dynamics simulation approaches, the generalized ensemble sampling strategy is uniquely attractive for the fact that it not only can enhance the sampling of rare chemical events but also can naturally ensure consistent exploration of environmental degrees of freedom. In this review, we plan to provide a tutorial-like tour on an emerging topic: generalized ensemble sampling of enzyme reaction free energy path. The discussion is largely focused on our own studies, particularly ones based on the metadynamics free energy sampling method and the on-the-path random walk path sampling method. We hope that this minipresentation will provide interested practitioners some meaningful guidance for future algorithm formulation and application study. C1 [Wu, D.; Yang, W.] Florida State Univ, Inst Mol Biophys, Tallahassee, FL 32306 USA. [Fajer, M. I.; Cheng, X.] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. [Fajer, M. I.; Cao, L.; Yang, W.] Florida State Univ, Tallahassee, FL 32306 USA. [Cheng, X.] Univ Tennessee, Knoxville, TN 37996 USA. RP Yang, W (reprint author), Florida State Univ, Inst Mol Biophys, Tallahassee, FL 32306 USA.; Cheng, X (reprint author), Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA.; Yang, W (reprint author), Florida State Univ, Tallahassee, FL 32306 USA.; Cheng, X (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM chengx@ornl.gov; yyang2@fsu.edu FU NIGMS NIH HHS [R01 GM054403, R01 GM111886] NR 58 TC 0 Z9 0 U1 6 U2 6 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-805347-8 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2016 VL 577 BP 57 EP 74 DI 10.1016/bs.mie.2016.05.012 PG 18 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA BF7BJ UT WOS:000383906200004 PM 27498634 ER PT S AU Askerka, M Ho, J Batista, ER Gascon, JA Batista, VS AF Askerka, M. Ho, J. Batista, E. R. Gascon, J. A. Batista, V. S. BE Voth, GA TI The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes SO COMPUTATIONAL APPROACHES FOR STUDYING ENZYME MECHANISM, PT A SE Methods in Enzymology LA English DT Review; Book Chapter ID OXYGEN-EVOLVING COMPLEX; MOLECULAR-ORBITAL METHOD; DENSITY-FUNCTIONAL THEORY; QUANTUM MECHANICS/MOLECULAR MECHANICS; POLARIZABLE FORCE-FIELDS; EXTENDED X-RAY; ABSORPTION FINE-STRUCTURE; NOVA G-QUADRUPLEX; PROTEIN-PROTEIN INTERACTIONS; ANALYTICAL ENERGY GRADIENTS AB Quantum mechanics/molecular mechanics (QM/MM) hybrid methods are currently the most powerful computational tools for studies of structure/function relations and catalytic sites embedded in macrobiomolecules (eg, proteins and nucleic acids). QM/MM methodologies are highly efficient since they implement quantum chemistry methods for modeling only the portion of the system involving bond-breaking/forming processes (QM layer), as influenced by the surrounding molecular environment described in terms of molecular mechanics force fields (MM layer). Some of the limitations of QM/MM methods when polarization effects are not explicitly considered include the approximate treatment of electrostatic interactions between QM and MM layers. Here, we review recent advances in the development of computational protocols that allow for rigorous modeling of electrostatic interactions in biomacromolecules and structural refinement, beyond the common limitations of QM/MM hybrid methods. We focus on photosystem II (PSII) with emphasis on the description of the oxygen-evolving complex (OEC) and its high-resolution extended X-ray absorption fine structure spectra (EXAFS) in conjunction with Monte Carlo structural refinement. Furthermore, we review QM/MM structural refinement studies of DNA G4 quadruplexes with embedded monovalent cations and direct comparisons to NMR data. C1 [Askerka, M.; Ho, J.; Batista, V. S.] Yale Univ, New Haven, CT 06520 USA. [Batista, E. R.] Los Alamos Natl Lab, Los Alamos, NM USA. [Gascon, J. A.] Univ Connecticut, Storrs, CT USA. [Ho, J.] Inst High Performance Comp, 1 Fusionopolis Way,16-16 Connexis North, Singapore 138632, Singapore. RP Batista, VS (reprint author), Yale Univ, New Haven, CT 06520 USA. EM victor.batista@yale.edu RI Gascon, Jose /N-5702-2016; Ho, Junming /A-1070-2012 OI Gascon, Jose /0000-0002-4176-9030; Ho, Junming /0000-0001-9381-924X FU NIGMS NIH HHS [R01 GM106121] NR 209 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-805347-8 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2016 VL 577 BP 443 EP 481 DI 10.1016/bs.mie.2016.05.021 PG 39 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA BF7BJ UT WOS:000383906200018 PM 27498648 ER PT S AU Ginovska, B Raugei, S Shaw, WJ AF Ginovska, B. Raugei, S. Shaw, W. J. BE Voth, GA TI Molecular Dynamics Studies of Proton Transport in Hydrogenase and Hydrogenase Mimics SO COMPUTATIONAL APPROACHES FOR STUDYING ENZYME MECHANISM, PT B SE Methods in Enzymology LA English DT Review; Book Chapter ID OUTER-COORDINATION SPHERE; ELECTRON-TRANSFER; NIFE HYDROGENASE; CLOSTRIDIUM-PASTEURIANUM; ENZYMATIC-REACTIONS; FORCE-FIELDS; ACTIVE-SITE; OXIDATION; CATALYSTS; ENERGY AB There is extensive interest in hydrogenases based on their ability to rapidly and efficiently interconvert H-2 with protons and electrons, and their (typically) superior function relative to molecular mimics. Understanding the function of enzymes is one approach to implementing design features to make better catalysts and is an approach we have implemented in our work. In this review, we will discuss our efforts to develop design principles from enzymes, with specific focus on proton transport. We will also present computational studies of the mimics we have investigated with similar methodologies. We will discuss the mechanisms used by small scaffolds on molecular mimics which in many cases are surprisingly similar to those used by nature, while in other cases, computational analysis allowed us to reveal an unexpected role. Computational methods provide one of the best ways, and in some cases, the only way, to gain insight into the mechanistic details of enzymes. In this review, we illustrate the general computational strategy we used to study the proton pathway of [FeFe]-hydrogenase, and the similar strategy to investigate small molecules. We present the main results we obtained and how our computational work stimulated or worked in concert with experimental investigations. We also focus on estimation of errors and convergence of properties in the simulations. These studies demonstrate the powerful results that can be obtained by the close pairing of experimental and theoretical approaches. C1 [Ginovska, B.; Raugei, S.; Shaw, W. J.] Pacific Northwest Natl Lab, Richland, WA 99354 USA. RP Ginovska, B; Shaw, WJ (reprint author), Pacific Northwest Natl Lab, Richland, WA 99354 USA. EM bojana.ginvoska@pnnl.gov; wendy.shaw@pnnl.gov NR 83 TC 0 Z9 0 U1 10 U2 12 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-811108-6; 978-0-12-811107-9 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2016 VL 578 BP 73 EP 101 DI 10.1016/bs.mie.2016.05.044 PG 29 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA BF7BL UT WOS:000383908000005 PM 27497163 ER PT S AU Parks, JM Smith, JC AF Parks, J. M. Smith, J. C. BE Voth, GA TI Modeling Mercury in Proteins SO COMPUTATIONAL APPROACHES FOR STUDYING ENZYME MECHANISM, PT B SE Methods in Enzymology LA English DT Review; Book Chapter ID DESULFOVIBRIO-DESULFURICANS LS; ION REDUCTASE; FREE-ENERGIES; METHYLATION; EXCHANGE; COMPLEXES; ACCURATE; CYSTEINE; ELEMENTS; HG(II) AB Mercury (Hg) is a naturally occurring element that is released into the biosphere both by natural processes and anthropogenic activities. Although its reduced, elemental form Hg(0) is relatively nontoxic, other forms such as Hg2+ and, in particular, its methylated form, methylmercury, are toxic, with deleterious effects on both ecosystems and humans. Microorganisms play important roles in the transformation of mercury in the environment. Inorganic Hg2+ can be methylated by certain bacteria and archaea to form methylmercury. Conversely, bacteria also demethylate methylmercury and reduce Hg2+ to relatively inert Hg(0). Transformations and toxicity occur as a result of mercury interacting with various proteins. Clearly, then, understanding the toxic effects of mercury and its cycling in the environment requires characterization of these interactions. Computational approaches are ideally suited to studies of mercury in proteins because they can provide a detailed molecular picture and circumvent issues associated with toxicity. Here, we describe computational methods for investigating and characterizing how mercury binds to proteins, how inter- and intraprotein transfer of mercury is orchestrated in biological systems, and how chemical reactions in proteins transform the metal. We describe quantum chemical analyses of aqueous Hg(II), which reveal critical factors that determine ligand-binding propensities. We then provide a perspective on how we used chemical reasoning to discover how microorganisms methylate mercury. We also highlight our combined computational and experimental studies of the proteins and enzymes of the mer operon, a suite of genes that confer mercury resistance in many bacteria. Lastly, we place work on mercury in proteins in the context of what is needed for a comprehensive multiscale model of environmental mercury cycling. C1 [Parks, J. M.; Smith, J. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Parks, J. M.; Smith, J. C.] Univ Tennessee, Knoxville, TN 37996 USA. RP Parks, JM; Smith, JC (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.; Parks, JM; Smith, JC (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM parksjm@ornl.gov; smithjc@ornl.gov RI smith, jeremy/B-7287-2012; OI smith, jeremy/0000-0002-2978-3227; Parks, Jerry/0000-0002-3103-9333 NR 35 TC 0 Z9 0 U1 15 U2 15 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-811108-6; 978-0-12-811107-9 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2016 VL 578 BP 103 EP 122 DI 10.1016/bs.mie.2016.05.041 PG 20 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA BF7BL UT WOS:000383908000006 PM 27497164 ER PT S AU Agarwal, PK Doucet, N Chennubhotla, C Ramanathan, A Narayanan, C AF Agarwal, P. K. Doucet, N. Chennubhotla, C. Ramanathan, A. Narayanan, C. BE Voth, GA TI Conformational Sub-states and Populations in Enzyme Catalysis SO COMPUTATIONAL APPROACHES FOR STUDYING ENZYME MECHANISM, PT B SE Methods in Enzymology LA English DT Review; Book Chapter ID NORMAL-COORDINATE ANALYSIS; PROTEIN DYNAMICS; ENERGY LANDSCAPE; NMR-SPECTROSCOPY; CYCLOPHILIN-A; MOTIONS; ISOMERIZATION; SIMULATIONS; PERSPECTIVE AB Enzyme function involves substrate and cofactor binding, precise positioning of reactants in the active site, chemical turnover, and release of products. In addition to formation of crucial structural interactions between enzyme and substrate(s), coordinated motions within the enzyme-substrate complex allow reaction to proceed at a much faster rate, compared to the reaction in solution and in the absence of enzyme. An increasing number of enzyme systems show the presence of conserved protein motions that are important for function. A wide variety of motions are naturally sampled (over femtosecond to millisecond time-scales) as the enzyme complex moves along the energetic landscape, driven by temperature and dynamical events from the surrounding environment. Areas of low energy along the landscape form conformational sub-states, which show higher conformational populations than surrounding areas. A small number of these protein conformational sub-states contain functionally important structural and dynamical features, which assist the enzyme mechanism along the catalytic cycle. Identification and characterization of these higher-energy (also called excited) sub-states and the associated populations are challenging, as these sub-states are very short-lived and therefore rarely populated. Specialized techniques based on computer simulations, theoretical modeling, and nuclear magnetic resonance have been developed for quantitative characterization of these sub-states and populations. This chapter discusses these techniques and provides examples of their applications to enzyme systems. C1 [Agarwal, P. K.] Oak Ridge Natl Lab, Computat Biol Inst, Oak Ridge, TN 37831 USA. [Agarwal, P. K.] Univ Tennessee, Knoxville, TN 37996 USA. [Doucet, N.; Narayanan, C.] Univ Quebec, INRS Inst Armand Frappier, Laval, PQ, Canada. [Chennubhotla, C.] Univ Pittsburgh, Pittsburgh, PA USA. [Ramanathan, A.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Agarwal, PK (reprint author), Oak Ridge Natl Lab, Computat Biol Inst, Oak Ridge, TN 37831 USA.; Agarwal, PK (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM pratul@agarwal-lab.org FU NIGMS NIH HHS [R01 GM105978] NR 42 TC 0 Z9 0 U1 2 U2 2 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-811108-6; 978-0-12-811107-9 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2016 VL 578 BP 273 EP 297 DI 10.1016/bs.mie.2016.05.023 PG 25 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA BF7BL UT WOS:000383908000013 PM 27497171 ER PT S AU Harding, TH Rash, CE Lattimore, MR Statz, J Martin, JS AF Harding, Thomas H. Rash, Clarence E. Lattimore, Morris R. Statz, Jonathan Martin, John S. BE SandersReed, J Arthur, JJ TI Perceptual Issues for Color Helmet-Mounted Displays: Luminance and Color Contrast Requirements SO DEGRADED VISUAL ENVIRONMENTS: ENHANCED, SYNTHETIC, AND EXTERNAL VISION SOLUTIONS 2016 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Degraded Visual Environments - Enhanced, Synthetic, and External Vision Solutions CY APR 19-20, 2016 CL Baltimore, MD SP SPIE DE Helmet-mounted display (HMD); head-up display (HUD); color vision; human factors; model; scene complexity; simulation; symbology; natural backgrounds ID READABILITY; TEXT AB Color is one of the latest design characteristics of helmet-mounted displays (HMDs). It's inclusion in design specifications is based on two suppositions: 1) color provides an additional method of encoding information, and 2) color provides a more realistic, and hence more intuitive, presentation of information, especially pilotage imagery. To some degree, these two perceived advantages have been validated with head-down panel-mounted displays, although not without a few problems associated with visual physiology and perception. These problems become more prevalent when the user population expands beyond military aviators to a general user population, of which a significant portion may have color vision deficiencies. When color is implemented in HMDs, which are eyes-out, see-through displays, visual perception issues become an increased concern. A major confound with HMDs is their inherent see-through (transparent) property. The result is color in the displayed image combines with color from the outside (or in-cockpit) world, possibly producing a false perception of either or both images. While human-factors derived guidelines based on trial and error have been developed, color HMD systems still place more emphasis on colorimetric than perceptual standards. This paper identifies the luminance and color contrast requirements for see-through HMDs. Also included is a discussion of ambient scene metrics and the choice of symbology color. C1 [Harding, Thomas H.; Rash, Clarence E.; Lattimore, Morris R.; Statz, Jonathan; Martin, John S.] US Army Aeromed Res Lab, POB 620577, Ft Rucker, AL 36362 USA. [Rash, Clarence E.; Statz, Jonathan] Oak Ridge Inst Sci & Educ, POB 117, Oak Ridge, TN 37831 USA. RP Harding, TH (reprint author), US Army Aeromed Res Lab, POB 620577, Ft Rucker, AL 36362 USA. NR 9 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 978-1-5106-0080-5 J9 PROC SPIE PY 2016 VL 9839 AR 98390E DI 10.1117/12.2223035 PG 10 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BF6KO UT WOS:000383224100012 ER PT S AU G-Michael, T Tucker, JD Roberts, RG AF G-Michael, Tesfaye Tucker, J. Derek Roberts, Rodney G. BE Bishop, SS Isaacs, JC TI Statistically Normalized Coherent Change Detection for Synthetic Aperture Sonar Imagery SO DETECTION AND SENSING OF MINES, EXPLOSIVE OBJECTS, AND OBSCURED TARGETS XXI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Detection and Sensing of Mines, Explosive Objects, and Obscured Targets XXI CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE Coherent change detection; multi-pass coherence processing; synthetic aperture sonar ID SAR IMAGERY; PHASE AB Coherent Change Detection (CCD) is a process of highlighting an area of activity in scenes (seafloor) under survey and generated from pairs of synthetic aperture sonar (SAS) images of approximately the same location observed at two different time instances. The problem of CCD and subsequent anomaly feature extraction/detection is complicated due to several factors such as the presence of random speckle pattern in the images, changing environmental conditions, and platform instabilities. These complications make the detection of weak target activities even more difficult. Typically, the degree of similarity between two images measured at each pixel locations is the coherence between the complex pixel values in the two images. Higher coherence indicates little change in the scene represented by the pixel and lower coherence indicates change activity in the scene. Such coherence estimation scheme based on the pixel intensity correlation is an ad-hoc procedure where the effectiveness of the change detection is determined by the choice of threshold which can lead to high false alarm rates. In this paper, we propose a novel approach for anomalous change pattern detection using the statistical normalized coherence and multi-pass coherent processing. This method may be used to mitigate shadows by reducing the false alarms resulting in the coherent map due to speckles and shadows. Test results of the proposed methods on a data set of SAS images will be presented, illustrating the effectiveness of the normalized coherence in terms statistics from multi-pass survey of the same scene. C1 [G-Michael, Tesfaye] Naval Surface Warfare Ctr, Panama City Div, Panama City, FL 32407 USA. [Tucker, J. Derek] Sandia Natl Labs, Livermore, CA 94550 USA. [Roberts, Rodney G.] Florida State Univ, Tallahassee, FL 32306 USA. RP G-Michael, T (reprint author), Naval Surface Warfare Ctr, Panama City Div, Panama City, FL 32407 USA. EM tesfaye.g-michael@navy.mil; jdtuck@sandia.gov NR 16 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 978-1-5106-0064-5 J9 PROC SPIE PY 2016 VL 9823 PG 13 WC Optics SC Optics GA BF6KK UT WOS:000383223700057 ER PT S AU Malone, MW Barrall, GA Espy, MA Monti, MC Alexson, DA Okamitsu, JK AF Malone, Michael W. Barrall, Geoffrey A. Espy, Michelle A. Monti, Mark C. Alexson, Dimitri A. Okamitsu, Jeffrey K. BE Bishop, SS Isaacs, JC TI Polarization Enhanced Nuclear Quadrupole Resonance with an Atomic Magnetometer SO DETECTION AND SENSING OF MINES, EXPLOSIVE OBJECTS, AND OBSCURED TARGETS XXI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Detection and Sensing of Mines, Explosive Objects, and Obscured Targets XXI CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE NQR; polarization enhancement; ammonium nitrate; PETN; atomic magnetometers; coil; standoff detection ID N-14 NQR SIGNAL AB Nuclear Quadrupole Resonance (NQR) has been demonstrated for the detection of 14-N in explosive compounds. Application of a material specific radio-frequency (RF) pulse excites a response typically detected with a wire wound antenna. NQR is non-contact and material specific, however fields produced by NQR are typically very weak, making demonstration of practical utility challenging. For certain materials, the NQR signal can be increased by transferring polarization from hydrogen nuclei to nitrogen nuclei using external magnetic fields. This polarization enhancement (PE) can enhance the NQR signal by an order of magnitude or more. Atomic magnetometers (AM) have been shown to improve detection sensitivity beyond a conventional antenna by a similar amount. AM sensors are immune to piezo-electric effects that hamper conventional NQR, and can be combined to form a gradiometer for effective RF noise cancellation. In principle, combining polarization enhancement with atomic magnetometer detection should yield improvement in signal-to-noise ratio that is the product of the two methods, 100-fold or more over conventional NQR. However both methods are even more exotic than traditional NQR, and have never been combined due to challenges in operating a large magnetic field and ultra-sensitive magnetic field sensor in proximity. Here we present NQR with and without PE with an atomic magnetometer, demonstrating signal enhancement greater than 20-fold for ammonium nitrate. We also demonstrate PE for PETN using a traditional coil for detection with an enhancement factor of 10. Experimental methods and future applications are discussed. C1 [Malone, Michael W.; Espy, Michelle A.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Monti, Mark C.; Alexson, Dimitri A.; Okamitsu, Jeffrey K.] NIITEK, 23031 Ladbrook Dr, Dulles, VA 20166 USA. [Barrall, Geoffrey A.] QUASAR Fed Syst, 5754 Pacific Ctr Blvd,Suite 203, San Diego, CA 92121 USA. RP Malone, MW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM mwmalone@lanl.gov NR 19 TC 0 Z9 0 U1 4 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 978-1-5106-0064-5 J9 PROC SPIE PY 2016 VL 9823 AR 98230Z DI 10.1117/12.2224070 PG 7 WC Optics SC Optics GA BF6KK UT WOS:000383223700029 ER PT J AU Kalyanaraman, A Halappanavar, M Chavarria-Miranda, D Lu, H Duraisamy, K Pande, PP AF Kalyanaraman, Ananth Halappanavar, Mahantesh Chavarria-Miranda, Daniel Lu, Hao Duraisamy, Karthi Pande, Partha Pratim TI Graphs and Community Detection SO FOUNDATIONS AND TRENDS IN ELECTRONIC DESIGN AUTOMATION LA English DT Article ID RANGE LINK INSERTION; NOC; OPTIMIZATION; PERFORMANCE; WORLD; GPUS AB Graph representations are pervasive in scientific and social computing. They serve as vital tools to model the interplay among different interacting entities. In this paper, we visit the problem of community detection, which is one of the most widely used graph operations toward scientific discovery. Community detection refers to the process of identifying tightlyknit subgroups of vertices in a large graph. These sub-groups (or communities) represent vertices that are tied together through common structure or function. Identification of communities could help in understanding the modular organization of complex networks. However, owing to large data sizes and high computational costs, performing community detection at scale has become increasingly challenging. Here, we present a detailed review and analysis of some of the leading computational methods and implementations developed for executing community detection on modern day multicore and manycore architectures. Our goals are to: a) define the problem of community detection and highlight its scientific significance; b) relate to challenges in parallelizing the operation on modern day architectures; c) provide a detailed report and logical organization of the approaches that have been designed for various architectures; and d) finally, provide insights into the strengths and suitability of different architectures for community detection, and a preview into the future trends of the area. It is our hope that this detailed treatment of community detection on parallel architectures can serve as an exemplar study for extending the application of modern day multicore and manycore architectures to other complex graph applications. C1 [Kalyanaraman, Ananth; Lu, Hao; Duraisamy, Karthi; Pande, Partha Pratim] WSU, Sch EECS, Pullman, WA 99164 USA. [Halappanavar, Mahantesh; Chavarria-Miranda, Daniel] PNNL, Richland, WA USA. RP Kalyanaraman, A (reprint author), WSU, Sch EECS, Pullman, WA 99164 USA. EM ananth@eecs.wsu.edu; hala@pnnl.gov; daniel.chavarria@pnnl.gov; luhowardmark@wsu.edu; kduraisa@eecs.wsu.edu; pande@eecs.wsu.edu FU U.S. Department of Energy (DOE) [DE-SC-0006516]; US National Science Foundation (NSF) [CCF-0845504, CNS-1059289, CNS-1128624, CCF-1162202]; Army Research Office [W911NF-12-1-0373]; Office of Advance Scientific Computing Research within Office of Science of the U. S. Department of Energy (DOE); Integrated Compiler and Runtime Autotuning Infrastructure (ATPER) project at Pacific Northwest National Laboratory (PNNL); DOE [DE-AC05-76RL01830] FX This work was supported in part by U.S. Department of Energy (DOE) Award DE-SC-0006516, by the US National Science Foundation (NSF) grants CCF-0845504, CNS-1059289, CNS-1128624, and CCF-1162202, an Army Research Office grant W911NF-12-1-0373. This work was also supported in part by the Applied Mathematics Program of the Office of Advance Scientific Computing Research within the Office of Science of the U. S. Department of Energy (DOE), and by the Integrated Compiler and Runtime Autotuning Infrastructure (ATPER) project at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the DOE under Contract DE-AC05-76RL01830. NR 69 TC 0 Z9 0 U1 0 U2 0 PU NOW PUBLISHERS INC PI HANOVER PA PO BOX 1024, HANOVER, MA 02339 USA SN 1551-3939 EI 1551-3947 J9 FOUND TRENDS ELECTRO JI Found. Trends Electron. Des. Autom. PY 2016 VL 10 IS 3 BP 145 EP 247 DI 10.1561/1000000044 PG 103 WC Engineering, Electrical & Electronic SC Engineering GA DW9IF UT WOS:000383970400001 ER PT J AU Lao, DB Galan, BR Linehan, JC Heldebrant, DJ AF Lao, D. B. Galan, B. R. Linehan, J. C. Heldebrant, D. J. TI The steps of activating a prospective CO2\ hydrogenation catalyst with combined CO2 capture and reduction SO GREEN CHEMISTRY LA English DT Article ID CARBON-DIOXIDE; HOMOGENEOUS HYDROGENATION; COMPLEXES; METHANOL; AMINES AB Combining CO2 capture and reduction is an efficient strategy to alleviate the high energy requirements for processing CO2 prior to reduction. Catalytic hydrogenation of CO2 captured as alkylcarbonate has previously been reported, but it's ambiguous whether the alkylcarbonate is reduced, as it is in dynamic equilibrium with neutral CO2 in solution. New studies are presented to elucidate the reduction mechanisms of CO2, and CO2 that is captured in solution using a homogeneous ruthenium hydride complex. C1 [Lao, D. B.; Galan, B. R.; Linehan, J. C.; Heldebrant, D. J.] Pacific Northwest Natl Lab, Richland, WA 99354 USA. RP Heldebrant, DJ (reprint author), Pacific Northwest Natl Lab, Richland, WA 99354 USA. EM david.heldebrant@pnnl.gov FU United States Department of Energy's Office of Science Basic Energy Sciences Early Career Research program [FWP 67038]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences FX DJH and DBL thank the United States Department of Energy's Office of Science Basic Energy Sciences Early Career Research program FWP 67038 for funding. JCL and BRG were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory is proudly operated by Battelle for the US Department of Energy. NR 23 TC 0 Z9 0 U1 13 U2 13 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 2016 VL 18 IS 18 BP 4871 EP 4874 DI 10.1039/c6gc01800a PG 4 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA DW9RJ UT WOS:000383999300007 ER PT J AU Shi, J Pattathil, S Parthasarathi, R Anderson, NA Kim, JI Venketachalam, S Hahn, MG Chapple, C Simmons, BA Singh, S AF Shi, Jian Pattathil, Sivakumar Parthasarathi, Ramakrishnan Anderson, Nickolas A. Kim, Jeong Im Venketachalam, Sivasankari Hahn, Michael G. Chapple, Clint Simmons, Blake A. Singh, Seema TI Impact of engineered lignin composition on biomass recalcitrance and ionic liquid pretreatment efficiency SO GREEN CHEMISTRY LA English DT Article ID STATE 2D NMR; ENZYMATIC SACCHARIFICATION; SUGAR PRODUCTION; DILUTE-ACID; MEDIATOR; LIGNIFICATION; SPECTROSCOPY; ARABIDOPSIS; LINKAGES; RELEASE AB Lignin plays important biological functions in plant cell walls, but also contributes to the recalcitrance of the walls to deconstruction. In recent years, genetic modification of lignin biosynthesis pathways has become one of the primary targets of plant cell wall engineering. In this study, we used a combination of approaches to characterize the structural and compositional features of wild-type Arabidopsis and mutants with distinct lignin monomer compositions: fah1-2 (Guaiacyl, G-lignin dominant), C4H-F5H (Syringyl, S-lignin dominant), COMT1 (G/5-hydroxy G-lignin dominant), and a newly developed med5a med5b ref8 (p-hydroxyphenyl, H-lignin dominant) mutant. In order to understand how lignin modification affects biomass recalcitrance, substrate reactivity and lignin fractionation, we correlated these properties with saccharification efficiency after ionic liquid (IL) pretreatment. Results showed that the cleavage of beta-O-4 linkages in the H- or S-lignin mutants was greater than that in G-lignin mutants. Furthermore, density functional theory (DFT) based calculations indicate higher chemical reactivity of the linkages between H- and S-lignin monomers, a possible cause of the reduced recalcitrance of H- or S-lignin mutants. Glycome profiling was conducted to study the impact of lignin modification on overall composition, extractability, integrity and lignin-associated features of most major non-cellulosic cell wall glycans in these mutants. This study provides insights into the role of lignin monomer composition on the enzymatic digestibility of biomass and the effect of lignin modification on overall wall structure and biomass pretreatment performance. C1 [Shi, Jian; Parthasarathi, Ramakrishnan; Simmons, Blake A.; Singh, Seema] Joint BioEnergy Inst, Deconstruct Div, 5885 Hollis St, Emeryville, CA 94608 USA. [Shi, Jian; Parthasarathi, Ramakrishnan; Singh, Seema] Sandia Natl Labs, Biol & Mat Sci Ctr, 7011 East Ave, Livermore, CA 94551 USA. [Shi, Jian] Univ Kentucky, Dept Biosyst & Agr Engn, Lexington, KY 40546 USA. [Pattathil, Sivakumar; Venketachalam, Sivasankari; Hahn, Michael G.] Univ Georgia, Complex Carbohydrate Res Ctr, 315 Riverbend Rd, Athens, GA 30602 USA. [Pattathil, Sivakumar; Venketachalam, Sivasankari; Hahn, Michael G.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. [Anderson, Nickolas A.; Kim, Jeong Im; Chapple, Clint] Purdue Univ, Dept Biochem, 175 South Univ St, W Lafayette, IN 47907 USA. [Simmons, Blake A.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA. RP Singh, S (reprint author), Joint BioEnergy Inst, Deconstruct Div, 5885 Hollis St, Emeryville, CA 94608 USA.; Singh, S (reprint author), Sandia Natl Labs, Biol & Mat Sci Ctr, 7011 East Ave, Livermore, CA 94551 USA. EM seesing@sandia.gov FU Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231]; Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center - U.S. DOE, Office of Science, Office of Basic Energy Sciences, [DE-SC0000997]; BioEnergy Science Center from the Office of Biological and Environmental Research, Office of Science, United States, Department of Energy [DE-AC05-00OR22725]; NSF Plant Genome Program [DBI-0421683, IOS-0923992]; National Science Foundation [1355438] FX Work conducted at the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and through the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center funded by the U.S. DOE, Office of Science, Office of Basic Energy Sciences, Award number DE-SC0000997. The glycome profiling was supported by the BioEnergy Science Center administered by Oak Ridge National Laboratory, and funded by a grant (DE-AC05-00OR22725) from the Office of Biological and Environmental Research, Office of Science, United States, Department of Energy. The generation of the CCRC series of plant cell wall glycan-directed monoclonal antibodies used in this work was supported by the NSF Plant Genome Program (DBI-0421683 and IOS-0923992). This research used resources of the National Energy Research Scientific Computing Center and EMSL at Pacific Northwest National Laboratory. We thank Dr Noppadon Sathitsuksanoh and Dr Jeffrey Pelton for help on NMR and SEC analysis. We also acknowledge the National Science Foundation under Cooperative Agreement No. 1355438 for partially supporting the effort at University of Kentucky. NR 49 TC 4 Z9 4 U1 13 U2 14 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 2016 VL 18 IS 18 BP 4884 EP 4895 DI 10.1039/c6gc01193d PG 12 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA DW9RJ UT WOS:000383999300010 ER PT J AU Sun, QN Khunsupat, R Akato, K Tao, JM Labbe, N Gallego, NC Bozell, JJ Rials, TG Tuskan, GA Tschaplinski, TJ Naskar, AK Pu, YQ Ragauskas, AJ AF Sun, Qining Khunsupat, Ratayakorn Akato, Kokouvi Tao, Jingming Labbe, Nicole Gallego, Nidia C. Bozell, Joseph J. Rials, Timothy G. Tuskan, Gerald A. Tschaplinski, Timothy J. Naskar, Amit K. Pu, Yunqiao Ragauskas, Arthur J. TI A study of poplar organosolv lignin after melt rheology treatment as carbon fiber precursors SO GREEN CHEMISTRY LA English DT Article ID KRAFT LIGNIN; PHENOL-FORMALDEHYDE; PRETREATMENT; ETHANOL; FRACTIONATION; SEVERITY; BIOFUELS; SOFTWOOD; HARDWOOD; BEHAVIOR AB Lignins from various poplar genotypes were isolated by using organosolv fractionation and subjected to rheological treatment at various temperatures. Physicochemical characterization of the lignin variants shows a broad distribution of glass transition temperatures, melt viscosity, and pyrolysis char residues. Rheological treatment at 170 degrees C induces lignin repolymerization accompanied with an increase in condensed linkages, molecular weights, and viscosities. In contrast, rheology testing at 190 degrees C results in the decrease in lignin aliphatic and phenolic hydroxyl groups, beta-O-aryl ether linkages, molecular weights, and viscosity values. Lignin under air cooling generates more oxygenated and condensed compounds, but lower amounts of ether linkages than lignin cooled under nitrogen. Lignin with a lower syringyl/guaiacyl ratio tends to form more cross-linkages along with higher viscosity values, higher molecular weight and larger amounts of condensed bonds. C1 [Sun, Qining; Khunsupat, Ratayakorn; Ragauskas, Arthur J.] Georgia Inst Technol, Sch Chem & Biochem, Renewable Bioprod Inst, Atlanta, GA 30332 USA. [Sun, Qining] Univ Tennessee, Dept Biomol & Chem Engn, Knoxville, TN 37996 USA. [Akato, Kokouvi; Gallego, Nidia C.; Naskar, Amit K.] Oak Ridge Natl Lab, Carbon & Composites Grp, Oak Ridge, TN 37831 USA. [Tao, Jingming; Labbe, Nicole; Bozell, Joseph J.; Rials, Timothy G.] Univ Tennessee, Inst Agr, Ctr Renewable Carbon, Knoxville, TN 37996 USA. [Tuskan, Gerald A.; Tschaplinski, Timothy J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Pu, Yunqiao; Ragauskas, Arthur J.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Biosci Div, Oak Ridge, TN 37831 USA. [Ragauskas, Arthur J.] Univ Tennessee, Ctr Renewable Carbon, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA. RP Ragauskas, AJ (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Renewable Bioprod Inst, Atlanta, GA 30332 USA.; Naskar, AK (reprint author), Oak Ridge Natl Lab, Carbon & Composites Grp, Oak Ridge, TN 37831 USA.; Labbe, N (reprint author), Univ Tennessee, Inst Agr, Ctr Renewable Carbon, Knoxville, TN 37996 USA.; Ragauskas, AJ (reprint author), Oak Ridge Natl Lab, BioEnergy Sci Ctr, Biosci Div, Oak Ridge, TN 37831 USA.; Ragauskas, AJ (reprint author), Univ Tennessee, Ctr Renewable Carbon, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA. EM nlabbe@utk.edu; naskarak@ornl.gov; aragausk@utk.edu RI Sun, Qining/B-7592-2016; OI Tschaplinski, Timothy/0000-0002-9540-6622; Sun, Qining/0000-0002-9678-7834; Gallego, Nidia/0000-0002-8252-0194; Ragauskas, Arthur/0000-0002-3536-554X FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL); BioEnergy Science Center; Office of Biological and Environmental Research in the DOE Office of Science; paper science engineering (PSE) fellowship programin Renewable Bioproducts Institute at Georgia Institute of Technology; U.S. Department of Energy [DE-AC05-00OR22725]; DOE FX Part of the research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC, for the U.S. Department of Energy. This work was also supported and performed as part of the BioEnergy Science Center. The BioEnergy Science Center is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. The Georgia Tech authors also acknowledge the financial support from the paper science engineering (PSE) fellowship programin Renewable Bioproducts Institute at Georgia Institute of Technology.; This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. 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). NR 46 TC 1 Z9 1 U1 11 U2 11 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 2016 VL 18 IS 18 BP 5015 EP 5024 DI 10.1039/c6gc00977h PG 10 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA DW9RJ UT WOS:000383999300025 ER PT S AU Chen-Wiegart, YCK Williams, G Zhao, CH Jiang, H Li, L Demkowicz, M Seita, M Short, M Ferry, S Wada, T Kato, H Chou, KW Petrash, S Catalano, J Yao, Y Murphy, A Zumbulyadis, N Centeno, SA Dybowski, C Thieme, J AF Chen-Wiegart, Yu-chen Karen Williams, Garth Zhao, Chonghang Jiang, Hua Li, Li Demkowicz, Michael Seita, Matteo Short, Mike Ferry, Sara Wada, Takeshi Kato, Hidemi Chou, Kang Wei Petrash, Stanislas Catalano, Jaclyn Yao, Yao Murphy, Anna Zumbulyadis, Nicholas Centeno, Silvia A. Dybowski, Cecil Thieme, Juergen BE Thieme, J Siddons, DP TI Early Science Commissioning Results of the Sub-micron Resolution X-ray Spectroscopy Beamline (SRX) in the Field of Materials Science and Engineering SO ICXOM23: INTERNATIONAL CONFERENCE ON X-RAY OPTICS AND MICROANALYSIS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 23rd International Congress on X-Ray Optics and Microanalysis (ICXOM) CY SEP 14-18, 2015 CL Brookhaven Natl Lab, NY HO Brookhaven Natl Lab AB Beamline commissioning activities at the Sub-micron Resolution Spectroscopy Beamline, SRX, one of the project beamlines of the National Synchrotron Light Source II, began in December 2014. SRX is a hard x-ray microprobe beamline. The technical capabilities presented in this paper include scanning micro-fluorescence microscopy (mu-XRF) and x-ray absorption near-edge structure (mu-XANES) spectroscopy. The high flux KBs station with sub-micron resolution in the step-scanning mode has been commissioned with results presented in this paper. Capabilities under commissioning/planning include XRF-XANES stack imaging, a high resolution station (sub-100 nm), x-ray fluorescence tomography, integration of Maia detector, and fly-scan mode. Early science commissioning results from SRX in the materials science field are presented in this paper. Topics being studied include nanoporous materials for energy conversion/storage, thin film materials for electronics, degradation of paint materials for art conservation, and grain boundary segregation in structural materials. On December 7th 2015, SRX officially became a user-operational beamline and started accepting general users. The users of interest are encouraged to contact the beamline staff and submit General User Proposals. C1 [Chen-Wiegart, Yu-chen Karen; Williams, Garth; Li, Li; Thieme, Juergen] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. [Zhao, Chonghang; Jiang, Hua] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Demkowicz, Michael] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. [Demkowicz, Michael; Seita, Matteo] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Short, Mike; Ferry, Sara] MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Wada, Takeshi; Kato, Hidemi] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan. [Chou, Kang Wei; Petrash, Stanislas] Henkel Corp, Bridgewater, NJ 08807 USA. [Catalano, Jaclyn] Montclair State Univ, Dept Chem & Biochem, Montclair, NJ USA. [Yao, Yao; Murphy, Anna; Dybowski, Cecil] Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. [Centeno, Silvia A.] Metropolitan Museum Art, Dept Sci Res, New York, NY 10028 USA. RP Chen-Wiegart, YCK (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. EM ycchen@bnl.gov; jthieme@bnl.gov OI Seita, Matteo/0000-0002-1852-2195 NR 19 TC 0 Z9 0 U1 3 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1422-8 J9 AIP CONF PROC PY 2016 VL 1764 AR UNSP 030004 DI 10.1063/1.4961138 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA BF6JZ UT WOS:000383222600010 ER PT S AU Hong, XG Ehm, L Zhong, Z Ghose, S Duffy, TS Weidner, DJ AF Hong, Xinguo Ehm, Lars Zhong, Zhong Ghose, Sanjit Duffy, Thomas S. Weidner, Donald J. BE Thieme, J Siddons, DP TI High-energy X-ray focusing and high-pressure pair distribution function measurement SO ICXOM23: INTERNATIONAL CONFERENCE ON X-RAY OPTICS AND MICROANALYSIS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 23rd International Congress on X-Ray Optics and Microanalysis (ICXOM) CY SEP 14-18, 2015 CL Brookhaven Natl Lab, NY HO Brookhaven Natl Lab DE X-Ray focusing; X-Ray diffraction; pair distribution function (PDF); diamond anvil cell ID ASYMMETRIC LAUE CRYSTALS; MIRRORS AB In this paper, we report recent progress in high-energy X-ray focusing by using Kirkpatrick-Baez (K-B) mirrors in combination with a sagittally bent Laue monochromator. This combination of optics provides a high flux X-ray beam, which can significantly reduce the data acquisition time for high-pressure pair distribution function (HP-PDF) measurements using the diamond anvil cell (DAC). Demonstration of the HP-PDF technique for the compression/relaxation of nanocrystalline platinum at high pressures is presented. C1 [Hong, Xinguo; Ehm, Lars; Weidner, Donald J.] SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. [Ehm, Lars; Zhong, Zhong; Ghose, Sanjit] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY USA. [Duffy, Thomas S.] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. RP Hong, XG (reprint author), SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. EM xhong@bnl.gov RI Duffy, Thomas/C-9140-2017 OI Duffy, Thomas/0000-0002-5357-1259 NR 28 TC 0 Z9 0 U1 7 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1422-8 J9 AIP CONF PROC PY 2016 VL 1764 AR UNSP 020003 DI 10.1063/1.4961131 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA BF6JZ UT WOS:000383222600003 ER PT S AU Lin, MF Xin, HL Chu, Y Yan, HF Tappero, R Thieme, J Lee, WK Biersach, D Smart, J Jones, K Titarenko, V AF Lin, Meifeng Xin, Huolin Chu, Yong Yan, Hanfei Tappero, Ryan Thieme, Juergen Lee, Wah-Keat Biersach, David Smart, James Jones, Keith Titarenko, Valeriy BE Thieme, J Siddons, DP TI Towards a Portable Open-Source Tomography Toolbox: Containerizing Tomography Software with Docker SO ICXOM23: INTERNATIONAL CONFERENCE ON X-RAY OPTICS AND MICROANALYSIS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 23rd International Congress on X-Ray Optics and Microanalysis (ICXOM) CY SEP 14-18, 2015 CL Brookhaven Natl Lab, NY HO Brookhaven Natl Lab ID RING ARTIFACTS; MICROTOMOGRAPHY; REMOVAL AB We report on an ongoing project to create a portable tomography toolbox to enable the processing of user data on various computing platforms. Our goal is to create a collection of open source software applications in a single integrated package that is cross-platform, to facilitate analysis and interpretation of tomographic data emerging from the Brookhaven National Synchrotron Light Source (NSLS) II and Center for Functional Nanomaterials (CFN) facilities as well as other locations. The emerging container technology Docker makes it possible to integrate independent software packages in a single toolbox and allows us to abstract away the library and platform dependencies from the user's point of view and develop a portable toolbox. To demonstrate, we Dockerized TomoPy and tomo-display, two popular tomographic image processing software packages, and used them to analyze the images obtained at the NSLS X2B beam line. We also report some advances in the artifact-removal algorithms which will be an integral part of the preprocessing stage for the tomography toolbox. C1 [Lin, Meifeng; Xin, Huolin; Chu, Yong; Yan, Hanfei; Tappero, Ryan; Thieme, Juergen; Lee, Wah-Keat; Smart, James; Jones, Keith] Brookhaven Natl Lab, Upton, NY 11973 USA. [Titarenko, Valeriy] Univ Manchester, Manchester M13 9PL, Lancs, England. RP Lin, MF (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM mlin@bnl.gov NR 15 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 978-0-7354-1422-8 J9 AIP CONF PROC PY 2016 VL 1764 AR UNSP 030008 DI 10.1063/1.4961142 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA BF6JZ UT WOS:000383222600014 ER PT S AU Nazaretski, E Yan, H Lauer, K Huang, X Xu, W Kalbfleisch, S Yan, H Li, L Bouet, N Zhou, J Shu, D Conley, R Chu, YS AF Nazaretski, E. Yan, H. Lauer, K. Huang, X. Xu, W. Kalbfleisch, S. Yan, Hui Li, Li Bouet, N. Zhou, J. Shu, D. Conley, R. Chu, Y. S. BE Thieme, J Siddons, DP TI Nm-scale spatial resolution x-ray imaging with MLL nanofocusing optics: instrumentational requirements and challenges SO ICXOM23: INTERNATIONAL CONFERENCE ON X-RAY OPTICS AND MICROANALYSIS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 23rd International Congress on X-Ray Optics and Microanalysis (ICXOM) CY SEP 14-18, 2015 CL Brookhaven Natl Lab, NY HO Brookhaven Natl Lab ID MICROSCOPY; NANOPROBE; BEAMLINE AB The Hard X-ray Nanoprobe (HXN) beamline at NSLS-II has been designed and constructed to enable imaging experiments with unprecedented spatial resolution and detection sensitivity. The HXN X-ray Microscope is a key instrument for the beamline, providing a suite of experimental capabilities which includes scanning fluorescence, diffraction, differential phase contrast and ptychography utilizing Multilayer Laue Lenses (MLL) and zoneplate (ZP) as nanofocusing optics. We present technical requirements for the MLL-based scanning microscope, outline the development concept and present first -15 x 15 nm(2) spatial resolution x-ray fluorescence images. C1 [Nazaretski, E.; Yan, H.; Lauer, K.; Huang, X.; Xu, W.; Kalbfleisch, S.; Yan, Hui; Li, Li; Bouet, N.; Zhou, J.; Chu, Y. S.] Brookhaven Natl Lab, NSLS 2, Upton, NY 11973 USA. [Shu, D.; Conley, R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Nazaretski, E (reprint author), Brookhaven Natl Lab, NSLS 2, Upton, NY 11973 USA. EM enazaretski@bnl.gov RI Huang, Xiaojing/K-3075-2012 OI Huang, Xiaojing/0000-0001-6034-5893 NR 17 TC 1 Z9 1 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1422-8 J9 AIP CONF PROC PY 2016 VL 1764 AR UNSP 040001 DI 10.1063/1.4961143 PG 4 WC Optics; Physics, Applied SC Optics; Physics GA BF6JZ UT WOS:000383222600015 ER PT J AU Weise, DR Koo, E Zhou, XY Mahalingam, S Morandini, F Balbi, JH AF Weise, David R. Koo, Eunmo Zhou, Xiangyang Mahalingam, Shankar Morandini, Frederic Balbi, Jacques-Henri TI Fire spread in chaparral - a comparison of laboratory data and model predictions in burning live fuels SO INTERNATIONAL JOURNAL OF WILDLAND FIRE LA English DT Article DE Adenostoma fasciculatum; Arctostaphylos glandulosa; Ceanothus crassifolius; Quercus berberidifolia ID TASMANIAN BUTTONGRASS MOORLANDS; PINUS-PINASTER AIT.; FOREST FUELS; SOUTHERN AUSTRALIA; IGNITION BEHAVIOR; SURFACE FIRES; WIND; BEDS; SHRUBLANDS; MOISTURE AB Fire behaviour data from 240 laboratory fires in high-density live chaparral fuel beds were compared with model predictions. Logistic regression was used to develop a model to predict fire spread success in the fuel beds and linear regression was used to predict rate of spread. Predictions from the Rothermel equation and three proposed changes as well as two physically based models were compared with observed spread rates of spread. Flame length-fireline intensity relationships were compared with flame length data. Wind was the most important variable related to spread success. Air temperature, live fuel moisture content, slope angle and fuel bed bulk density were significantly related to spread rate. A flame length-fireline intensity model for Galician shrub fuels was similar to the chaparral data. The Rothermel model failed to predict fire spread in nearly all of the fires that spread using default values. Increasing the moisture of extinction marginally improved its performance. Modifications proposed by Cohen, Wilson and Catchpole also improved predictions. The models successfully predicted fire spread 49 to 69% of the time. Only the physical model predictions fell within a factor of two of actual rates. Mean bias of most models was close to zero. Physically based models generally performed better than empirical models and are recommended for further study. C1 [Weise, David R.] USDA Forest Serv, Pacific Southwest Res Stn, Fire & Fuels Program, Riverside, CA 92506 USA. [Koo, Eunmo] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87544 USA. [Zhou, Xiangyang] FM Global Inc, 1175 Boston Providence Turnpike,POB 9102, Norwood, MA 02062 USA. [Mahalingam, Shankar] Univ Alabama, Dept Mech & Aerosp Engn, Huntsville, AL 35899 USA. [Morandini, Frederic; Balbi, Jacques-Henri] Univ Corsica, CNRS, Sci Environm SPE 6134, UMR, BP 52, F-20250 Corte, France. RP Weise, DR (reprint author), USDA Forest Serv, Pacific Southwest Res Stn, Fire & Fuels Program, Riverside, CA 92506 USA. EM dweise@fs.fed.us OI Koo, Eunmo/0000-0001-9943-9694; Mahalingam, Shankar/0000-0002-4543-7201 FU USDA/USDI National Fire Plan [01-JV-11272166-135]; Forest Fire Laboratory, Pacific Southwest Research Station, Riverside, CA FX Many individuals contributed to the laboratory experiments used in this study including David Kisor, Joey Chong and Lulu Sun. Their efforts are appreciated. This study was funded in part by the USDA/USDI National Fire Plan administered through a Research Joint Venture Agreement no. 01-JV-11272166-135 with the Forest Fire Laboratory, Pacific Southwest Research Station, Riverside, CA. NR 125 TC 2 Z9 2 U1 3 U2 4 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 2016 VL 25 IS 9 BP 980 EP 994 DI 10.1071/WF15177 PG 15 WC Forestry SC Forestry GA DW8JF UT WOS:000383900400007 ER PT J AU Ankowski, AM Benhar, O Coloma, P Huber, P Jen, CM Mariani, C Meloni, D Vagnoni, E AF Ankowski, A. M. Benhar, O. Coloma, P. Huber, P. Jen, C. -M. Mariani, C. Meloni, D. Vagnoni, E. TI Neutrino energy reconstruction in disappearance experiments with calorimetric and kinematic methods SO NUOVO CIMENTO C-COLLOQUIA AND COMMUNICATIONS IN PHYSICS LA English DT Article ID LINE-EXPERIMENT-SIMULATOR; OSCILLATION EXPERIMENTS AB Modern experiments aimed at measuring neutrino oscillation parameters have entered the age of precision. The determination of these parameters strongly depends on the ability to reconstruct the energy of the neutrinos. We compare two different energy reconstruction techniques: the reconstruction based on the kinematics of the outgoing lepton and the one based the calorimetric method. C1 [Ankowski, A. M.; Benhar, O.; Huber, P.; Jen, C. -M.; Mariani, C.] Virginia Tech, Ctr Neutrino Phys, Blacksburg, VA 24061 USA. [Benhar, O.] Sapienza Univ Roma, INFN, I-00185 Rome, Italy. [Benhar, O.] Sapienza Univ Roma, Dipartimento Fis, I-00185 Rome, Italy. [Coloma, P.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Meloni, D.; Vagnoni, E.] Univ Roma Tre, INFN, Via Vasca Navale 84, I-00146 Rome, Italy. [Meloni, D.; Vagnoni, E.] Univ Roma Tre, Dipartimento Matemat & Fis, Via Vasca Navale 84, I-00146 Rome, Italy. RP Vagnoni, E (reprint author), Univ Roma Tre, INFN, Via Vasca Navale 84, I-00146 Rome, Italy.; Vagnoni, E (reprint author), Univ Roma Tre, Dipartimento Matemat & Fis, Via Vasca Navale 84, I-00146 Rome, Italy. RI Mariani, Camillo/J-6070-2015; OI Mariani, Camillo/0000-0003-3284-4681; Ankowski, Artur/0000-0003-4073-8686 NR 6 TC 0 Z9 0 U1 0 U2 0 PU SOC ITALIANA FISICA PI BOLOGNA PA VIA SARAGOZZA, 12, I-40123 BOLOGNA, ITALY SN 2037-4909 EI 1826-9885 J9 NUOVO CIM C-COLLOQ C JI Nuovo Cim. C-Colloq. Commun. Phys. PD JAN-FEB PY 2016 VL 39 IS 1 AR 233 DI 10.1393/ncc/i2016-16233-x PG 3 WC Physics, Multidisciplinary SC Physics GA DW1HH UT WOS:000383393400031 ER PT J AU Marini, L Pagani, L Agnes, P Alexander, T Alton, A Arisaka, K Back, HO Baldin, B Biery, K Bonfini, G Bossa, M Brigatti, A Brodsky, J Budano, F Cadonati, L Calaprice, F Canci, N Candela, A Cao, H Cariello, M Cavalcante, P Chavarria, A Chepurnov, A Cocco, AG D'Angelo, D D'Incecco, M Davini, S De Deo, M Derbin, A Devoto, A Di Eusanio, F Di Pietro, G Edkins, E Empl, A Fan, A Fiorillo, G Fomenko, K Forster, G Franco, D Gabriele, F Galbiati, C Goretti, A Grandi, L Gromov, M Guan, MY Guardincerri, Y Hackett, B Herner, K Humble, P Hungerford, EV Ianni, A Ianni, A Jollet, C Keeter, K Kendziora, C Kidner, S Kobychev, V Koh, G Korablev, D Korga, G Kurlej, A Li, PX Lombardi, P Love, C Ludhova, L Luitz, S Ma, YQ Machulin, I Mandarano, A Mari, S Maricic, J Martoff, CJ Meregaglia, A Meroni, E Meyers, PD Milincic, R Montanari, D Montuschi, M Monzani, ME Mosteiro, P Mount, B Muratova, V Musico, P Nelson, A Odrowski, S Okounkova, M Orsini, M Ortica, F Pallavicini, M Pantic, E Papp, L Parmeggiano, S Parsells, R Pelczar, K Pelliccia, N Perasso, S Pocar, A Pordes, S Pugachev, D Qian, H Randle, K Ranucci, G Razeto, A Reinhold, B Renshaw, A Romani, A Rossi, B Rossi, N Rountree, SD Sablone, D Saggese, P Saldanha, R Sands, W Sangiorgio, S Segreto, E Semenov, D Shields, E Skorokhvatov, M Smirnov, O Sotnikov, A Stanford, C Suvorov, Y Tartaglia, R Tatarowicz, J Testera, G Tonazzo, A Unzhakov, E Vogelaar, RB Wada, M Walker, S Wang, H Wang, Y Watson, A Westerdale, S Wojcik, M Wright, A Xiang, X Xu, J Yang, CG Yoo, J Zavatarelli, S Zec, A Zhu, C Zuzel, G AF Marini, L. Pagani, L. Agnes, P. Alexander, T. Alton, A. Arisaka, K. Back, H. O. Baldin, B. Biery, K. Bonfini, G. Bossa, M. Brigatti, A. Brodsky, J. Budano, F. Cadonati, L. Calaprice, F. Canci, N. Candela, A. Cao, H. Cariello, M. Cavalcante, P. Chavarria, A. Chepurnov, A. Cocco, A. G. D'Angelo, D. D'Incecco, M. Davini, S. De Deo, M. Derbin, A. Devoto, A. Di Eusanio, F. Di Pietro, G. Edkins, E. Empl, A. Fan, A. Fiorillo, G. Fomenko, K. Forster, G. Franco, D. Gabriele, F. Galbiati, C. Goretti, A. Grandi, L. Gromov, M. Guan, M. Y. Guardincerri, Y. Hackett, B. Herner, K. Humble, P. Hungerford, E. V. Ianni, Al. Ianni, An. Jollet, C. Keeter, K. Kendziora, C. Kidner, S. Kobychev, V. Koh, G. Korablev, D. Korga, G. Kurlej, A. Li, P. X. Lombardi, P. Love, C. Ludhova, L. Luitz, S. Ma, Y. Q. Machulin, I. Mandarano, A. Mari, S. Maricic, J. Martoff, C. J. Meregaglia, A. Meroni, E. Meyers, P. D. Milincic, R. Montanari, D. Montuschi, M. Monzani, M. E. Mosteiro, P. Mount, B. Muratova, V. Musico, P. Nelson, A. Odrowski, S. Okounkova, M. Orsini, M. Ortica, F. Pallavicini, M. Pantic, E. Papp, L. Parmeggiano, S. Parsells, R. Pelczar, K. Pelliccia, N. Perasso, S. Pocar, A. Pordes, S. Pugachev, D. Qian, H. Randle, K. Ranucci, G. Razeto, A. Reinhold, B. Renshaw, A. Romani, A. Rossi, B. Rossi, N. Rountree, S. D. Sablone, D. Saggese, P. Saldanha, R. Sands, W. Sangiorgio, S. Segreto, E. Semenov, D. Shields, E. Skorokhvatov, M. Smirnov, O. Sotnikov, A. Stanford, C. Suvorov, Y. Tartaglia, R. Tatarowicz, J. Testera, G. Tonazzo, A. Unzhakov, E. Vogelaar, R. B. Wada, M. Walker, S. Wang, H. Wang, Y. Watson, A. Westerdale, S. Wojcik, M. Wright, A. Xiang, X. Xu, J. Yang, C. G. Yoo, J. Zavatarelli, S. Zec, A. Zhu, C. Zuzel, G. CA DarkSide Collaboration TI Current status of the dark matter experiment DarkSide-50 SO NUOVO CIMENTO C-COLLOQUIA AND COMMUNICATIONS IN PHYSICS LA English DT Article AB DarkSide-50 is a dark matter direct search experiment at LNGS, searching for rare nuclear recoils possibly induced by WIMPs. It has two nested vetoes and a dual phase liquid argon TPC as dark matter detector. Key features of this experiment are the use of underground argon as radio-pure target and of muon and neutron active vetoes to suppress the background. The first data-taking campaign was running from November 2013 to April 2015 with an atmospheric argon target and a reduced efficiency neutron veto due to internal contamination. However, an upper limit on the WIMP-nucleon cross section of 6.1x10(-44) cm(2) at 90% CL was obtained for a WIMP mass of 100 GeV/c(2) and an exposure of (1422 +/- 67) kg.d. At present DarkSide-50 started a 3 years run, intended to be background-free because the neutron veto was successfully recovered and underground argon replaced the atmospheric one. Additionally calibration campaigns for both the TPC and the neutron veto were completed. Thanks to the good performance of the background rejection, the results obtained so far suggest the scalability of DarkSide-50 to a ton-scale detector, which will play a key role into the dark matter search scenario. C1 [Agnes, P.; Franco, D.; Perasso, S.; Tonazzo, A.] Univ Paris Diderot, APC, Sorbonne Paris Cite, F-75205 Paris, France. [Alton, A.] Augustana Coll, Dept Phys & Astron, Sioux Falls, SD 57197 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. [Devoto, A.] Univ Cagliari, Dept Phys, I-09042 Cagliari, Italy. [Devoto, A.] Ist Nazl Fis Nucl, I-09042 Cagliari, Italy. [Chavarria, A.; Grandi, L.; Saldanha, R.] Univ Chicago, Enrico Fermi Inst, Kavli Inst, Chicago, IL 60637 USA. [Chavarria, A.; Grandi, L.; Saldanha, R.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Keeter, K.; Mount, B.] Black Hills State Univ, Sch Nat Sci, Spearfish, SD 57799 USA. [Fomenko, K.; Korablev, D.; Smirnov, O.; Sotnikov, A.] Joint Inst Nucl Res, Dubna 141980, Russia. [Baldin, B.; Biery, K.; Guardincerri, Y.; Herner, K.; Kendziora, C.; Montanari, D.; Pordes, S.; Yoo, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Marini, L.; Pagani, L.; Cariello, M.; Musico, P.; Pallavicini, M.; Testera, G.; Zavatarelli, S.] Univ Genoa, Dept Phys, I-16146 Genoa, Italy. [Marini, L.; Pagani, L.; Cariello, M.; Musico, P.; Pallavicini, M.; Testera, G.; Zavatarelli, S.] Ist Nazl Fis Nucl, I-16146 Genoa, Italy. [Bossa, M.] Gran Sasso Sci Inst, I-67100 Laquila, Italy. [Edkins, E.; Hackett, B.; Maricic, J.; Milincic, R.; Reinhold, B.] Univ Hawaii, Dept Phys & Astron, Honolulu, HI 96822 USA. [Davini, S.; Empl, A.; Hungerford, E. V.; Korga, G.; Sablone, D.] Univ Houston, Dept Phys, Houston, TX 77204 USA. [Guan, M. Y.; Li, P. X.; Ma, Y. Q.; Wang, Y.; Yang, C. G.] Inst High Energy Phys, Beijing 100049, Peoples R China. [Pelczar, K.; Wojcik, M.; Zuzel, G.] Jagiellonian Univ, Smoluchowski Inst Phys, PL-30059 Krakow, Poland. [Kobychev, V.] Natl Acad Sci Ukraine, Inst Nucl Res, UA-03680 Kiev, Ukraine. [Machulin, I.; Pugachev, D.; Skorokhvatov, M.] Natl Res Ctr Kurchatov Inst, Moscow 123182, Russia. [Sangiorgio, S.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. [Bonfini, G.; Candela, A.; Cavalcante, P.; D'Incecco, M.; De Deo, M.; Gabriele, F.; Ianni, Al.; Montuschi, M.; Odrowski, S.; Orsini, M.; Razeto, A.; Rossi, N.; Saggese, P.; Segreto, E.; Tartaglia, R.] Lab Nazl Gran Sasso, I-67010 Assergi, AQ, Italy. [Machulin, I.; Skorokhvatov, M.] Natl Res Nucl Univ, Moscow Engn Phys Inst, Moscow 115409, Russia. [Brigatti, A.; D'Angelo, D.; Di Pietro, G.; Lombardi, P.; Ludhova, L.; Meroni, E.; Parmeggiano, S.; Ranucci, G.] Univ Milan, Dept Phys, I-20133 Milan, Italy. [Brigatti, A.; D'Angelo, D.; Di Pietro, G.; Lombardi, P.; Ludhova, L.; Meroni, E.; Parmeggiano, S.; Ranucci, G.] Ist Nazl Fis Nucl, I-20133 Milan, Italy. [Chepurnov, A.; Gromov, M.] Lomonosov Moscow State Univ, Skobeltsyn Inst Nucl Phys, Moscow 119991, Russia. [Cocco, A. G.; Fiorillo, G.; Rossi, B.; Walker, S.] Univ Naples Federico II, Dept Phys, I-80126 Naples, Italy. [Cocco, A. G.; Fiorillo, G.; Rossi, B.; Walker, S.] Ist Nazl Fis Nucl, I-80126 Naples, Italy. [Humble, P.] Pacific Northwest Natl Lab, Richland, WA 99352 USA. [Derbin, A.; Muratova, V.; Semenov, D.; Unzhakov, E.] St Petersburg Nucl Phys Inst, Gatchina 188350, Russia. [Ortica, F.; Pelliccia, N.; Romani, A.] Univ Perugia, Chem Biol & Biotechnol Dept, I-06123 Perugia, Italy. [Ortica, F.; Pelliccia, N.; Romani, A.] Ist Nazl Fis Nucl, I-06123 Perugia, Italy. Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA. [Back, H. O.; Brodsky, J.; Calaprice, F.; Cao, H.; Di Eusanio, F.; Galbiati, C.; Goretti, A.; Ianni, An.; Koh, G.; Meyers, P. D.; Mosteiro, P.; Nelson, A.; Okounkova, M.; Parsells, R.; Qian, H.; Rossi, B.; Sands, W.; Shields, E.; Stanford, C.; Wada, M.; Westerdale, S.; Wright, A.; Xiang, X.; Xu, J.; Zhu, C.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Budano, F.; Mandarano, A.; Mari, S.] Univ Tre Roma, Dept Phys, I-00146 Rome, Italy. [Budano, F.; Mandarano, A.; Mari, S.] Ist Nazl Fis Nucl, I-00146 Rome, Italy. [Luitz, S.; Monzani, M. E.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Jollet, C.; Meregaglia, A.] Univ Strasbourg, IPHC, CNRS, IN2P3, F-67037 Strasbourg, France. [Love, C.; Martoff, C. J.; Tatarowicz, J.; Watson, A.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. [Pantic, E.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Arisaka, K.; Canci, N.; Fan, A.; Pantic, E.; Renshaw, A.; Suvorov, Y.; Wang, H.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Alexander, T.; Cadonati, L.; Forster, G.; Kurlej, A.; Pocar, A.; Randle, K.; Zec, A.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. [Kidner, S.; Papp, L.; Rountree, S. D.; Vogelaar, R. B.] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA. RP Marini, L (reprint author), Univ Genoa, Dept Phys, I-16146 Genoa, Italy. RI Machulin, Igor/R-9711-2016; Ortica, Fausto/C-1001-2013; Skorokhvatov, Mikhail/R-9735-2016; Canci, Nicola/E-7498-2017; OI Ortica, Fausto/0000-0001-8276-452X; Canci, Nicola/0000-0002-4797-4297; Xu, Jingke/0000-0001-8084-5609; Rossi, Nicola/0000-0002-7046-528X NR 6 TC 0 Z9 0 U1 5 U2 5 PU SOC ITALIANA FISICA PI BOLOGNA PA VIA SARAGOZZA, 12, I-40123 BOLOGNA, ITALY SN 2037-4909 EI 1826-9885 J9 NUOVO CIM C-COLLOQ C JI Nuovo Cim. C-Colloq. Commun. Phys. PD JAN-FEB PY 2016 VL 39 IS 1 AR 247 DI 10.1393/ncc/i2016-16247-4 PG 5 WC Physics, Multidisciplinary SC Physics GA DW1HH UT WOS:000383393400045 ER PT J AU Winch, NM Smith, GJ Breukers, RD Bhuiyan, DH Kay, AJ Smith, TA Ghiggino, KP Raymond, SG AF Winch, Nicola M. Smith, Gerald J. Breukers, Robert D. Bhuiyan, Delower H. Kay, Andrew J. Smith, Trevor A. Ghiggino, Kenneth P. Raymond, Sebastiampillai G. TI The photophysics of phenylenevinylene oligomers and self-absorption of their fluorescence in polymer films SO PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES LA English DT Article ID CONJUGATED POLYMERS; ENERGY-TRANSFER; MEH-PPV; MONODISPERSE OLIGO(9,9-DI-N-OCTYLFLUORENE-2,7-VINYLENE)S; CONFORMATIONAL RELAXATION; SOLAR CONCENTRATORS; EFFICIENCY; DYNAMICS; MODEL; STATE AB The fluorescence spectra, quantum yields and lifetimes of a series of alkoxy-substituted phenylene-vinylene molecules, which serve as short chain oligomer models for poly(p-phenylenevinylene), have been determined in fluid solvents and in a high viscosity polymer matrix. The effects of solvent polarity and a high viscosity molecular environment on the fluorescence yields and spectral shapes have been established. Alkoxy group substitution on the phenyl ring moieties of the molecules has an important effect on the vibronic structures and profiles of the absorption spectra. This was interpreted in terms of hot-band, ground to excited singlet state transitions from energetically closely-spaced torsional vibrational levels of the vinylene double bond in the ground state. The shapes of the absorption bands affect the overlaps of the absorption and fluorescence spectra. This has been quantified as the probability of fluorescence reabsorption in solid polymer films as a function of pathlength. This is an important determinant of the efficacies of these compounds for "harvesting" solar energy in luminescent solar concentrator systems. The reabsorption probabilities of these compounds are lower for all pathlengths than those determined in the same polymer film for the fluorophores, perylene and perylene diimide, which have been considered for concentrating spatially diffuse sunlight. C1 [Winch, Nicola M.; Smith, Gerald J.] Victoria Univ Wellington, Sch Chem & Phys Sci, Wellington, New Zealand. [Winch, Nicola M.] Los Alamos Natl Lab, Los Alamos, NM USA. [Breukers, Robert D.; Bhuiyan, Delower H.; Kay, Andrew J.; Raymond, Sebastiampillai G.] Callaghan Innovat, Lower Hutt, New Zealand. [Smith, Trevor A.; Ghiggino, Kenneth P.] Univ Melbourne, Sch Chem, Melbourne, Vic, Australia. RP Smith, GJ (reprint author), Victoria Univ Wellington, Sch Chem & Phys Sci, Wellington, New Zealand. EM gerald.smith@vuw.ac.nz FU New Zealand government's Ministry for Business, Innovation and Employment [VICX1202] FX This research was funded by the New Zealand government's Ministry for Business, Innovation and Employment under contract VICX1202. NR 34 TC 0 Z9 0 U1 3 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1474-905X EI 1474-9092 J9 PHOTOCH PHOTOBIO SCI JI Photochem. Photobiol. Sci. PY 2016 VL 15 IS 9 BP 1163 EP 1169 DI 10.1039/c6pp00127k PG 7 WC Biochemistry & Molecular Biology; Biophysics; Chemistry, Physical SC Biochemistry & Molecular Biology; Biophysics; Chemistry GA DW7YE UT WOS:000383868700009 PM 27480331 ER PT S AU Abliz, M Grimmer, J Dejus, R Ramanathan, M AF Abliz, M. Grimmer, J. Dejus, R. Ramanathan, M. BE Shen, Q Nelson, C TI Conceptual Design of a Three-Pole Wiggler for the APS Upgrade SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The current design of the Advanced Photon Source Upgrade (APS-U) project is a multi-bend achromat (MBA) lattice, which incorporates three-pole wigglers as radiation sources for the bending magnet beamlines. They are located in the short section between the M4 dipole and Q8 quadrupole magnets. Due to space constraints, a hybrid permanent magnet design is necessary to provide the required magnetic field strength. A three-pole wiggler with a flat peak field profile along the beam axis was designed to enhance the photon flux and flatten the transverse flux density distributions. The magnetic peak field at the center pole reached 1.08 Tesla for a magnetic gap of 26 mm. The maximum power density, integrated over all vertical angles, is 3.1 W/mm(2), which is substantially higher than that of the existing bending magnets at the APS (0.86 W/mm(2)). Detailed designs of the three-pole wiggler is presented, including calculated spectral-angular flux distributions. C1 [Abliz, M.; Grimmer, J.; Dejus, R.; Ramanathan, M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Abliz, M (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM mabliz@aps.anl.gov; grimmer@aps.anl.gov; mohan@aps.anl.gov NR 2 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020011 DI 10.1063/1.4952790 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800011 ER PT S AU Abliz, M Grimmer, J AF Abliz, M. Grimmer, J. BE Shen, Q Nelson, C TI Preliminary Analysis of a 27.5 mm Period Undulator for the MBA Lattice SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The magnetic design of a 27.5 mm period undulator was performed for the APS MBA Lattice. One purpose of the magnetic design was to decrease the magnetic force in order to operate the undulator successfully at a smaller gap compared to the existing 27 mm undulator at the APS. As a result, the magnetic force is decreased by about 18% at a gap of 11 mm and the total volume of the magnet and the pole is decreased by approximately 22% with the new model. The calculated effective field with the new model was 172 G higher than the existing 27-mm period undulator with a gap of 11 mm. The calculated field roll-off with the new optimized model is within the requirements of the MBA, in the range of +/- 5 mm. C1 [Abliz, M.; Grimmer, J.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Abliz, M (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM mabliz@aps.anl.gov; grimmer@aps.anl.gov NR 2 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020010 DI 10.1063/1.4952789 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800010 ER PT S AU Antipov, S Baryshev, SV Butler, JE Antipova, O Liu, Z Stoupin, S AF Antipov, S. Baryshev, S. V. Butler, J. E. Antipova, O. Liu, Z. Stoupin, S. BE Shen, Q Nelson, C TI Two-dimensional Single Crystal Diamond Refractive X-Ray Lens SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The next generation light sources such as diffraction-limited storage rings and high repetition rate x-ray free-electron lasers will generate x-ray beams with significantly increased brilliance. These future machines will require X-ray optical components that are capable of handling higher instantaneous and average power densities while tailoring the properties of the x-ray beams for a variety of scientific experiments. Single crystal diamond is one of the best bulk materials for this application, because it is radiation hard, has a suitable uniform index of refraction and the best available thermal properties. In this paper we report on fabrication and experimental testing of a two-dimensional (2D) single crystal diamond compound refractive X-ray lenses (CRL). These lenses were manufactured using femto-second laser cutting and tested at the Advanced Photon Source of Argonne National Laboratory. C1 [Antipov, S.; Baryshev, S. V.; Butler, J. E.] Euclid Techlabs LLC, Bolingbrook, IL 60440 USA. [Butler, J. E.] Russian Acad Sci, Inst Appl Phys, Nizhnii Novgorod, Russia. [Antipova, O.] IIT, Dept Biol & Chem Sci, Chicago, IL 60616 USA. [Liu, Z.; Stoupin, S.] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA. RP Antipov, S (reprint author), Euclid Techlabs LLC, Bolingbrook, IL 60440 USA.; Stoupin, S (reprint author), Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA. EM s.antipov@euclidtechlabs.com; sstoupin@aps.anl.gov NR 3 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 040017 DI 10.1063/1.4952889 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800110 ER PT S AU Bohon, J Sullivan, M Dvorak, J Abel, D Toomey, J Chance, MR AF Bohon, Jen Sullivan, Michael Dvorak, Joseph Abel, Don Toomey, John Chance, Mark R. BE Shen, Q Nelson, C TI Development of the XFP Beamline for X-ray Footprinting at NSLS-II SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB For over a decade, synchrotron-based footprinting studies at the NSLS X28C beamline have provided unique insights and approaches for examining the solution-state structures of large macromolecular assemblies, membrane proteins, and soluble proteins, for time-resolved studies of macromolecular dynamics, and most recently for in vivo studies of RNA-protein complexes. The transition from NSLS to NSLS-II has provided the opportunity to create an upgraded facility for the study of increasingly complex systems; progress on the development of the XFP (X-ray Footprinting for In Vitro and In Vivo Structural Studies of Biological Macromolecules) beamline at NSLS-II is presented here. The XFP beamline will utilize a focused 3-pole wiggler source to deliver a high flux density x-ray beam, where dynamics can be studied on the microsecond to millisecond timescales appropriate for probing biological macromolecules while minimizing sample perturbation. The beamline optics and diagnostics enable adaptation of the beam size and shape to accommodate a variety of sample morphologies with accurate measurement of the incident beam, and the upgrades in sample handling and environment control will allow study of highly sensitive or unstable samples. The XFP beamline is expected to enhance relevant flux densities more than an order of magnitude from that previously available at X28C, allowing static and time-resolved structural analysis of highly complex samples that have previously pushed the boundaries of x-ray footprinting technology. XFP, located at NSLS-II 17-BM, is anticipated to become available for users in 2016. C1 [Bohon, Jen; Sullivan, Michael; Abel, Don; Toomey, John; Chance, Mark R.] Case Western Reserve Univ, Ctr Prote & Bioinformat, Case Ctr Synchrotron Biosci, Cleveland, OH 44106 USA. [Dvorak, Joseph] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Bohon, J (reprint author), Case Western Reserve Univ, Ctr Prote & Bioinformat, Case Ctr Synchrotron Biosci, Cleveland, OH 44106 USA. EM jbohon@bnl.gov; mark.chance@case.edu NR 4 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 030005 DI 10.1063/1.4952828 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800049 ER PT S AU Brejnholt, NF Poyneer, LA Hill, RM Pardini, T Hagler, L Jackson, J Jeon, J McCarville, TJ Palmer, DW Celestre, R Brooks, AD AF Brejnholt, Nicolai F. Poyneer, Lisa A. Hill, Randal M. Pardini, Tommaso Hagler, Lisle Jackson, Jessie Jeon, Jae McCarville, Thomas J. Palmer, David W. Celestre, Richard Brooks, Audrey D. BE Shen, Q Nelson, C TI Recent Results and Future Plans for a 45 Actuator Adaptive X-ray Optics Experiment at the Advanced Light Source SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB We report on the current status of the Adaptive X-ray Optics project run by Lawrence Livermore National Laboratory (LLNL). LLNL is collaborating with the Advanced Light Source (ALS) to demonstrate a near real-time adaptive X-ray optic. To this end, a custom-built 45 cm long deformable mirror has been installed at ALS beamline 5.3.1 (end station 2) for a two-year period that started in September 2014. We will outline general aspects of the instrument, present results from a recent experimental campaign and touch on future plans for the project. C1 [Brejnholt, Nicolai F.; Poyneer, Lisa A.; Hill, Randal M.; Pardini, Tommaso; Hagler, Lisle; Jackson, Jessie; Jeon, Jae; McCarville, Thomas J.; Palmer, David W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Celestre, Richard] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. [Brooks, Audrey D.] AOA Xinetics Inc, Northrop Grumman, Cambridge, MA USA. RP Brejnholt, NF (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM brejnholt1@llnl.gov NR 6 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 040011 DI 10.1063/1.4952883 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800104 ER PT S AU Capatina, D D'Amico, K Nudell, J Collins, J Schmidt, O AF Capatina, D. D'Amico, K. Nudell, J. Collins, J. Schmidt, O. BE Shen, Q Nelson, C TI DCS - A High Flux Beamline for Time Resolved Dynamic Compression Science - Design Highlights SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The Dynamic Compression Sector (DCS) beamline, a national user facility for time resolved dynamic compression science supported by the National Nuclear Security Administration (NNSA) of the Department of Energy (DOE), has recently completed construction and is being commissioned at Sector 35 of the Advanced Photon Source (APS) at Argonne National Laboratory (ANL). The beamline consists of a First Optics Enclosure (FOE) and four experimental enclosures. A Kirkpatrick-Baez focusing mirror system with 2.2 mrad incident angles in the FOE delivers pink beam to the experimental stations. A refocusing Kirkpatrick-Baez mirror system is situated in each of the two most downstream enclosures. Experiments can be conducted in either white, monochromatic, pink or monochromatic-reflected beam mode in any of the experimental stations by changing the position of two interlocked components in the FOE. The beamline Radiation Safety System (RSS) components have been designed to handle the continuous beam provided by two in-line revolver undulators with periods of 27 and 30 mm, at closed gap, 150 mA beam current, and passing through a power limiting aperture of 1.5 x 1.0 mm(2). A novel pink beam end station stop [1] is used to stop the continuous and focused pink beam which can achieve a peak heat flux of 105 kW/mm(2). A new millisecond shutter design [2] is used to deliver a quick pulse of beam to the sample, synchronized with the dynamic event, the microsecond shutter, and the storage ring clock. C1 [Capatina, D.; D'Amico, K.; Nudell, J.; Collins, J.; Schmidt, O.] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Capatina, D (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM capatina@aps.anl.gov; kdamico@aps.anl.gov; jnudell@aps.anl.gov; collins@aps.anl.gov; oschmidt@aps.anl.gov NR 3 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 030036 DI 10.1063/1.4952859 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800080 ER PT S AU Cheng, WX Bacha, B Singh, O AF Cheng, Weixing Bacha, Bel Singh, Om BE Shen, Q Nelson, C TI Beam Measurements Using Visible Synchrotron Light at NSLS2 Storage Ring SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB Visible Synchrotron Light Monitor (SLM) diagnostic beamline has been designed and constructed at NSLS2 storage ring, to characterize the electron beam profile at various machine conditions. Due to the excellent alignment, SLM beamline was able to see the first visible light when beam was circulating the ring for the first turn. The beamline has been commissioned for the past year. Besides a normal CCD camera to monitor the beam profile, streak camera and gated camera are used to measure the longitudinal and transverse profile to understand the beam dynamics. Measurement results from these cameras will be presented in this paper. A time correlated single photon counting system (TCSPC) has also been setup to measure the single bunch purity. C1 [Cheng, Weixing; Bacha, Bel; Singh, Om] Brookhaven Natl Lab, NSLS II, Upton, NY 11973 USA. RP Cheng, WX (reprint author), Brookhaven Natl Lab, NSLS II, Upton, NY 11973 USA. EM chengwx@bnl.gov NR 5 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020014 DI 10.1063/1.4952793 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800014 ER PT S AU Chuang, YD Anderson, C Benk, M Goldberg, K Voronov, D Warwick, T Yashchuk, V Padmore, HA AF Chuang, Y-D Anderson, C. Benk, M. Goldberg, K. Voronov, D. Warwick, T. Yashchuk, V. Padmore, H. A. BE Shen, Q Nelson, C TI Multiplexed high resolution soft x-ray RIXS SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB High-resolution Resonance Inelastic X-ray Scattering (RIXS) is a technique that allows us to probe the electronic excitations of complex materials with unprecedented precision. However, the RIXS process has a low cross section, compounded by the fact that the optical spectrometers used to analyze the scattered photons can only collect a small solid angle and overall have a small efficiency. Here we present a method to significantly increase the throughput of RIXS systems, by energy multiplexing, so that a complete RIXS map of scattered intensity versus photon energy in and photon energy out can be recorded simultaneously(1). This parallel acquisition scheme should provide a gain in throughput of over 100. A system based on this principle, QERLIN, is under construction at the Advanced Light Source (ALS). C1 [Chuang, Y-D; Voronov, D.; Warwick, T.; Yashchuk, V.; Padmore, H. A.] Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Anderson, C.; Benk, M.; Goldberg, K.] Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Padmore, HA (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hapadmore@lbl.gov NR 11 TC 0 Z9 0 U1 5 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 050011 DI 10.1063/1.4952931 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800152 ER PT S AU Chubar, O Chu, YS Huang, XJ Kalbfleisch, S Yan, HF Shaftan, T Wang, GM Cai, YQ Suvorov, A Fluerasu, A Wiegart, L Chen-Wiegart, YCK Thieme, J Williams, G Idir, M Tanabe, T Zschack, P Shen, Q AF Chubar, Oleg Chu, Yong S. Huang, Xiaojing Kalbfleisch, Sebastian Yan, Hanfei Shaftan, Timur Wang, Guimei Cai, Yong Q. Suvorov, Alexey Fluerasu, Andrei Wiegart, Lutz Chen-Wiegart, Yu-chen Karen Thieme, Juergen Williams, Garth Idir, Mourad Tanabe, Toshiya Zschack, Paul Shen, Qun BE Shen, Q Nelson, C TI Initial Performances of First Undulator-Based Hard X-Ray Beamlines of NSLS-II Compared to Simulations SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab ID RADIATION AB Commissioning of the first X-ray beamlines of NSLS-II included detailed measurements of spectral and spatial distributions of the radiation at different locations of the beamlines, from front-ends to sample positions. Comparison of some of these measurement results with high-accuracy calculations of synchrotron (undulator) emission and wavefront propagation through X-ray transport optics, performed using SRW code, is presented. C1 [Chubar, Oleg; Chu, Yong S.; Huang, Xiaojing; Kalbfleisch, Sebastian; Yan, Hanfei; Shaftan, Timur; Wang, Guimei; Cai, Yong Q.; Suvorov, Alexey; Fluerasu, Andrei; Wiegart, Lutz; Chen-Wiegart, Yu-chen Karen; Thieme, Juergen; Williams, Garth; Idir, Mourad; Tanabe, Toshiya; Zschack, Paul; Shen, Qun] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP Chubar, O (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. EM chubar@bnl.gov NR 7 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 040002 DI 10.1063/1.4952874 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800095 ER PT S AU Dejus, RJ Kim, KJ AF Dejus, Roger J. Kim, Kwang-Je BE Shen, Q Nelson, C TI Sharpness of Interference Pattern of the 3-Pole Wiggler SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB Due to the small emittance, radiation from neighboring poles of a strong wiggler in future multi-bend achromat-based storage rings can exhibit sharp interference patterns. The spectral-angular distributions of the 3-pole wiggler for the proposed Advanced Photon Source (APS) upgrade were computed and prominent interference patterns were found. In this paper we provide an understanding of such interference patterns. The equations governing the interference pattern are described and computed spectral-angular distributions of a modeled 3-pole wiggler magnetic field using these equations are presented. C1 [Dejus, Roger J.; Kim, Kwang-Je] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Dejus, RJ (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM dejus@aps.anl.gov NR 3 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020015 DI 10.1063/1.4952794 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800015 ER PT S AU DiFabio, J Chodankar, S Pjerov, S Jakoncic, J Lucas, M Krywka, C Graziano, V Yang, L AF DiFabio, Jonathan Chodankar, Shirish Pjerov, Sal Jakoncic, Jean Lucas, Michael Krywka, Christina Graziano, Vito Yang, Lin BE Shen, Q Nelson, C TI The Life Science X-ray Scattering Beamline at NSLS-II SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB We report the current development status of the High Brightness X-ray Scattering for Life Sciences (or Life Science X-ray Scattering, LiX) beamline at the NSLS-II facility of Brookhaven National Laboratory. This instrument will operate in the x-ray energy range of 2.1-18 keV, provide variable beam sizes from 1 micron to similar to 0.5 mm, and support user experiments in three scientific areas: (1) high-throughput solution scattering, in-line size exclusion chromatography and flow mixers-based time-resolved solution scattering of biological macro-molecules, (2) diffraction from single- and multi-layered lipid membranes, and (3) scattering-based scanning probe imaging of biological tissues. In order to satisfy the beam stability required for these experiments and to switch rapidly between different types of experiments, we have adopted a secondary source with refractive lenses for secondary focusing, a detector system consisting of three Pilatus detectors, and specialized experimental modules that can be quickly exchanged and each dedicated to a defined set of experiments. The construction of this beamline is on schedule for completion in September 2015. User experiments are expected to start in Spring 2016. C1 [DiFabio, Jonathan; Chodankar, Shirish; Pjerov, Sal; Jakoncic, Jean; Lucas, Michael; Krywka, Christina; Graziano, Vito; Yang, Lin] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP Yang, L (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. EM lyang@bnl.gov RI Chodankar, Shirish/B-7188-2017 OI Chodankar, Shirish/0000-0003-4850-2926 NR 3 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 030049 DI 10.1063/1.4952872 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800093 ER PT S AU Dong, XH Shu, DM Sinn, H AF Dong, Xiaohao Shu, Deming Sinn, Harald BE Shen, Q Nelson, C TI Design of a Cryo-Cooled Artificial Channel-Cut Crystal Monochromator for the European XFEL SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB An artificial channel-cut crystal monochromator for the hard X-Ray beamlines of SASE 1&2, cryogenically cooled by the so-called pulse tube cooler (cryorefrigerator), is currently under development at the European XFEL (http://www.xfel.eu/). The fabrication is on-going. We present here the crystal optical consideration and the novel cooling configuration, according to the X-Ray FEL pulses proprieties. The mechanical design improvements are pointed out as well to implement such kind of monochromator based on the previous similar design. C1 [Dong, Xiaohao; Sinn, Harald] European XFEL GmbH, D-22761 Hamburg, Germany. [Shu, Deming] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Shu, DM (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM xiaohao.dong@xfel.eu; shu@aps.anl.gov; harald.sinn@xfel.eu NR 6 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 040027 DI 10.1063/1.4952899 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800120 ER PT S AU Fuchs, MR Bhogadi, DK Jakoncic, J Myers, S Sweet, RM Berman, LE Skinner, J Idir, M Chubar, O McSweeney, S Schneider, DK AF Fuchs, Martin R. Bhogadi, Dileep K. Jakoncic, Jean Myers, Stuart Sweet, Robert M. Berman, Lonny E. Skinner, John Idir, Mourad Chubar, Oleg McSweeney, Sean Schneider, Dieter K. BE Shen, Q Nelson, C TI NSLS-II biomedical beamlines for micro-crystallography, FMX, and for highly automated crystallography, AMX: new opportunities for advanced data collection SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB We present the final design of the x-ray optics and experimental stations of two macromolecular crystallography (MX) beamlines at the National Synchrotron Light Source-II. The microfocusing FMX beamline will deliver a flux of similar to 5x10(12) ph/s at 1 angstrom into a 1-20 mu m spot, its flux density surpassing current MX beamlines by up to two orders of magnitude. It covers an energy range from 5-30 keV. The highly automated AMX beamline is optimized for high throughput, with beam sizes from 4-100 mu m, an energy range of 5-18 keV and a flux at 1 angstrom of similar to 10(13) ph/s. A focus in designing the beamlines lay on achieving high beam stability, for example by implementing a horizontal bounce double crystal monochromator at FMX. A combination of compound refractive lenses and bimorph mirror optics at FMX supports rapid beam size changes. Central components of the in-house developed experimental stations are horizontal axis goniometers with a target sphere of confusion of 100 nm, piezo-slits for dynamic beam size changes during diffraction experiments, dedicated secondary goniometers for data collection from specimen in crystallization plates, and next generation pixel array detectors. FMX and AMX will support a broad range of biomedical structure determination methods from serial crystallography on micron-sized crystals, to structure determination of complexes in large unit cells, to rapid sample screening and room temperature data collection of crystals in trays. C1 [Fuchs, Martin R.; Bhogadi, Dileep K.; Jakoncic, Jean; Myers, Stuart; Sweet, Robert M.; Berman, Lonny E.; Skinner, John; Idir, Mourad; Chubar, Oleg; McSweeney, Sean; Schneider, Dieter K.] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP Fuchs, MR (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. EM mfuchs@bnl.gov NR 9 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 030006 DI 10.1063/1.4952829 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800050 ER PT S AU Gao, Y Harder, R Southworth, S Guest, J Scherer, N Yan, ZJ Ocola, L Pelton, M Young, LD AF Gao, Yuan Harder, Ross Southworth, Stephen Guest, Jeffrey Scherer, Norbert Yan, Zijie Ocola, Leonidas Pelton, Matthew Young, Linda BE Shen, Q Nelson, C TI Bragg Diffraction from Sub-micron Particles Isolated by Optical Tweezers SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab ID SINGLE SILVER NANOWIRES AB We describe an apparatus using dynamic holographic optical tweezers which is capable of trapping and aligning a single micron scale anisotropic ZnO particle for x-ray Bragg diffraction experiments. The optical tweezers demonstrate enough stability to perform coherent x-ray diffraction imaging. C1 [Gao, Yuan; Harder, Ross; Southworth, Stephen; Guest, Jeffrey; Ocola, Leonidas; Young, Linda] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Scherer, Norbert; Yan, Zijie] Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA. [Pelton, Matthew] Univ Maryland Baltimore Cty, Dept Phys, Baltimore, MD 21250 USA. RP Gao, Y (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ygao0709@anl.gov OI Ocola, Leonidas/0000-0003-4990-1064 NR 7 TC 0 Z9 0 U1 3 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 050010 DI 10.1063/1.4952930 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800151 ER PT S AU Gofron, KJ Cai, YQ Coburn, DS Antonelli, S Flores, J Suvorov, A AF Gofron, K. J. Cai, Y. Q. Coburn, D. S. Antonelli, S. Flores, J. Suvorov, A. BE Shen, Q Nelson, C TI On-axis Microscopes for the Inelastic X-ray Scattering Beamline at NSLS-II SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB A novel on-axis X-ray microscope with 3 mu m resolution, 3x magnification, and a working distance of 600 mm for in-situ sample alignment and X-ray beam visualization for the Inelastic X-ray Scattering (IXS) beamline at NSLS-II is presented. The microscope uses reflective optics, which minimizes dispersion, and allows imaging from Ultraviolet (UV) to Infrared (IR) with specifically chosen objective components (coatings, etc.). Additionally, a portable high resolution X-ray microscope for KB mirror alignment and X-ray beam characterization was developed. C1 [Gofron, K. J.; Cai, Y. Q.; Coburn, D. S.; Antonelli, S.; Suvorov, A.] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. [Flores, J.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Gofron, KJ (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. EM kgofron@bnl.gov NR 7 TC 0 Z9 0 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 030027 DI 10.1063/1.4952850 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800071 ER PT S AU Hong, XG Ehm, L Zhong, Z Ghose, S Duffy, TS Weidner, DJ AF Hong, Xinguo Ehm, Lars Zhong, Zhong Ghose, Sanjit Duffy, Thomas S. Weidner, Donald J. BE Shen, Q Nelson, C TI High-pressure pair distribution function (PDF) measurement using high-energy focused X-ray beam SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab ID GOLD AB In this paper, we report recent development of the high-pressure pair distribution function (HP-PDF) measurement technique using a focused high-energy X-ray beam coupled with a diamond anvil cell (DAC). The focusing optics consist of a sagittally bent Laue monochromator and Kirkpatrick-Baez (K-B) mirrors. This combination provides a clean high-energy X-ray beam suitable for HP-PDF research. Demonstration of the HP-PDF technique for nanocrystalline platinum under quasi-hydrostatic condition above 30 GPa is presented. C1 [Hong, Xinguo; Ehm, Lars; Weidner, Donald J.] SUNY Stony Brook, Mineral Phys Inst, Stony Brook, NY 11794 USA. [Ehm, Lars; Zhong, Zhong; Ghose, Sanjit] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. [Duffy, Thomas S.] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. RP Hong, XG (reprint author), SUNY Stony Brook, Mineral Phys Inst, Stony Brook, NY 11794 USA. EM xhong@bnl.gov RI Duffy, Thomas/C-9140-2017 OI Duffy, Thomas/0000-0002-5357-1259 NR 11 TC 0 Z9 0 U1 4 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 050003 DI 10.1063/1.4952923 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800144 ER PT S AU Hong, XG Duffy, TS Ehm, L Weidner, DJ AF Hong, Xinguo Duffy, Thomas S. Ehm, Lars Weidner, Donald J. BE Shen, Q Nelson, C TI Absolute X-ray energy calibration and monitoring using a diffraction-based method SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab DE X-Ray energy calibration; X-Ray energy monitoring; X-Ray diffraction AB In this paper, we report some recent developments of the diffraction-based absolute X-ray energy calibration method. In this calibration method, high spatial resolution of the measured detector offset is essential. To this end, a remotely controlled long-translation motorized stage was employed instead of the less convenient gauge blocks. It is found that the precision of absolute X-ray energy calibration (Delta E/E) is readily achieved down to the level of 10(-4) for high -energy monochromatic X-rays (e.g. 80 keV). Examples of applications to pair distribution function (PDF) measurements and energy monitoring for high-energy X-rays are presented. C1 [Hong, Xinguo; Ehm, Lars; Weidner, Donald J.] SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. [Duffy, Thomas S.] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. [Ehm, Lars] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP Hong, XG (reprint author), SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. EM xhong@bnl.gov RI Duffy, Thomas/C-9140-2017 OI Duffy, Thomas/0000-0002-5357-1259 NR 11 TC 0 Z9 0 U1 3 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 050012 DI 10.1063/1.4952932 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800153 ER PT S AU Imazono, T Koike, M Nagano, T Sasai, H Oue, Y Kuramoto, S Terauchi, M Takahashi, H Notoya, S Murano, T Gullikson, EM AF Imazono, Takashi Koike, Masato Nagano, Tetsuya Sasai, Hiroyuki Oue, Yuki Kuramoto, Satoshi Terauchi, Masami Takahashi, Hideyuki Notoya, Satoshi Murano, Takanori Gullikson, Eric M. BE Shen, Q Nelson, C TI Experimental evaluation of enhancement of diffraction efficiency by overcoating diamond-like carbon (DLC) on soft X-ray laminar-type gratings SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB Efficiently detecting the B-K emission band around 6.76 nm from a trace concentration of boron in steel compounds has motivated a theoretical exploration of means of increasing the diffraction efficiency of a laminar grating with carbon overcoating. To experimentally evaluate this enhancement, a Ni grating was coated with a high-density carbon film, i.e., diamond-like carbon (DLC). The first order diffraction efficiencies of the Ni gratings coated with and without DLC were measured to be 25.8 % and 16.9 %, respectively, at a wavelength of 6.76 nm and an angle of incidence of 87.07 degrees. The ratio of diffraction efficiency obtained experimentally vs. that calculated by numerical simulation is 0.87 for the DLC-coated Ni grating. The diffraction efficiency of a Ni grating coated with a low-density carbon film, amorphous carbon (a-C), was also slightly improved to be 19.6 %. Furthermore, a distinct minimum of the zeroth order lights of the two carbon-coated Ni gratings were observed at around 6.76 nm, which is coincident with the maximum of the first order light. C1 [Imazono, Takashi; Koike, Masato] Japan Atom Energy Agcy, Quantum Beam Sci, 8-1-7 Umemidai, Kyoto 6190215, Japan. [Nagano, Tetsuya; Sasai, Hiroyuki; Oue, Yuki; Kuramoto, Satoshi] Shimadzu Co Ltd, Device Dept, Nakagyo Ku, 1 Nishinokyo Kuwabara Cho, Kyoto 6048511, Japan. [Terauchi, Masami] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Aoba Ku, 2-1-1 Katahira, Sendai, Miyagi 9808577, Japan. [Takahashi, Hideyuki] JEOL Ltd, Sci Equipment Sales Dept, Chiyoda Ku, 2-1-1 Ohtemachi, Tokyo 1000004, Japan. [Notoya, Satoshi; Murano, Takanori] JEOL Ltd, SA Business Unit, 3-1-2 Musashino, Tokyo 1968558, Japan. [Gullikson, Eric M.] Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd,Bldg 2R0400, Berkeley, CA 94720 USA. RP Imazono, T (reprint author), Japan Atom Energy Agcy, Quantum Beam Sci, 8-1-7 Umemidai, Kyoto 6190215, Japan. EM imazono.takashi@jaea.go.jp NR 7 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 040043 DI 10.1063/1.4952915 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800136 ER PT S AU Jaski, Y Westferro, F Lee, SH Yang, B Abliz, M Ramanathan, M AF Jaski, Y. Westferro, F. Lee, S. H. Yang, B. Abliz, M. Ramanathan, M. BE Shen, Q Nelson, C TI Conceptual Design of Front Ends for the Advanced Photon Source Multi-bend Achromats Upgrade SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The proposed Advanced Photon Source (APS) upgrade from a double-bend achromats (DBA) to multi-bend achromats (MBA) lattice with ring energy change from 7 GeV to 6 GeV and beam current from 100 mA to 200 mA poses new challenges for front ends. All front ends must be upgraded to fulfill the following requirements: 1) handle the high heat load from two insertion devices in either inline or canted configuration, 2) include a clearing magnet in the front end to deflect and dump any electrons in case the electrons escape from the storage ring during swap-out injection with the safety shutters open, 3) incorporate the next generation x-ray beam position monitors (XBPMs) into the front end to meet the new stringent beam stability requirements. This paper presents the evaluation of the existing APS front ends and standardizes the insertion device (ID) front ends into two types: one for the single beam and one for the canted beams. The conceptual design of high heat load front end (HHLFE) and canted undulator front end (CUFE) for APS MBA upgrade is presented. C1 [Jaski, Y.; Westferro, F.; Lee, S. H.; Yang, B.; Abliz, M.; Ramanathan, M.] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave,Bldg 401, Argonne, IL 60439 USA. RP Jaski, Y (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave,Bldg 401, Argonne, IL 60439 USA. EM jaskiy@aps.anl.gov; westferr@aps.anl.gov; shlee@aps.anl.gov; bxyang@aps.anl.gov; mabliz@aps.anl.gov; mohan@aps.anl.gov NR 4 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020037 DI 10.1063/1.4952816 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800037 ER PT S AU Kitegi, C Chubar, O Eng, C AF Kitegi, C. Chubar, O. Eng, C. BE Shen, Q Nelson, C TI Magnet System Optimization for Segmented Adaptive-Gap In-Vacuum Undulator SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB Segmented Adaptive Gap in-vacuum Undulator (SAGU), in which different segments have different gaps and periods, promises a considerable spectral performance gain over a conventional undulator with uniform gap and period. According to calculations, this gain can be comparable to the gain achievable with a superior undulator technology (e.g. a room-temperature in-vacuum hybrid SAGU would perform as a cryo-cooled hybrid in-vacuum undulator with uniform gap and period). However, for reaching the high spectral performance, SAGU magnetic design has to include compensation of kicks experienced by the electron beam at segment junctions because of different deflection parameter values in the segments. We show that such compensation to large extent can be accomplished by using a passive correction, however, simple correction coils are nevertheless required as well to reach perfect compensation over a whole SAGU tuning range. Magnetic optimizations performed with Radia code, and the resulting undulator radiation spectra calculated using SRW code, demonstrating a possibility of nearly perfect correction, are presented. C1 [Kitegi, C.; Chubar, O.; Eng, C.] Brookhaven Natl Lab, Energy Sci Directorates, Upton, NY 11973 USA. RP Kitegi, C (reprint author), Brookhaven Natl Lab, Energy Sci Directorates, Upton, NY 11973 USA. EM ckitegi@bnl.gov NR 9 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020018 DI 10.1063/1.4952797 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800018 ER PT S AU Kosciuk, B Hu, Y Keister, J Seletskiy, S AF Kosciuk, B. Hu, Y. Keister, J. Seletskiy, S. BE Shen, Q Nelson, C TI Development and Commissioning of an X-Ray Beam Alignment Flag for NSLS-II SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The NSLS-II Synchrotron Light Source is a 3GeV electron storage ring recently commissioned and is now entering operations at Brookhaven National Laboratory. One of the major tasks was to commission the six project beamline front ends which required a diagnostic to resolve x-ray beam position for the purpose of beam alignment at low current. Since none of the front ends were outfitted with any x-ray diagnostics in the baseline design, an x-ray beam profile monitor or "flag" that could be easily installed into existing front end vacuum chambers was proposed to satisfy this requirement. Here we present the development of this novel device which utilizes a polycrystalline CVD diamond luminescent screen to produce a visible image of the x- ray beam cross-section and is then captured with a CCD camera. C1 [Kosciuk, B.; Hu, Y.; Keister, J.; Seletskiy, S.] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP Kosciuk, B (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. EM bkosciuk@bnl.gov NR 3 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020030 DI 10.1063/1.4952809 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800030 ER PT S AU Lee, SH Yang, BX Decker, G Sereno, N Ramanathan, M AF Lee, S. H. Yang, B. X. Decker, G. Sereno, N. Ramanathan, M. BE Shen, Q Nelson, C TI Progress on the Development of the Next Generation X-ray Beam Position Monitors at the Advanced Photon Source SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB Accurate and stable x-ray beam position monitors (XBPMs) are key elements in obtaining the desired user beam stability in the Advanced Photon Source (APS). The next generation XBPMs for high heat load front ends (HHL FEs) have been designed to meet these requirements by utilizing Cu K-edge x-ray fluorescence (XRF) from a pair of copper absorbers and have been installed at the front ends (FEs) of the APS. Commissioning data showed a significant performance improvement over the existing photoemission-based XBPMs. While a similar design concept can be applied for the canted undulator front ends, where two undulator beams are separated by 1.0-mrad, the lower beam power (< 10 kW) per undulator allows us to explore lower-cost solutions based on Compton scattering from the diamond blades placed edge-on to the xray beam. A prototype of the Compton scattering XBPM system was installed at 24-ID-A in May 2015. In this report, the design and test results for XRF-based XBPM and Compton scattering based XBPM are presented. Ongoing research related to the development of the next generation XBPMs on thermal contact resistance of a joint between two solid bodies is also discussed. C1 [Lee, S. H.; Yang, B. X.; Decker, G.; Sereno, N.; Ramanathan, M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Lee, SH (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM shlee@aps.anl.gov; bxyang@aps.anl.gov; decker@aps.anl.gov; sereno@aps.anl.gov; mohan@aps.anl.gov NR 4 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020031 DI 10.1063/1.4952810 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800031 ER PT S AU Liu, J Jaski, M Borland, M Jain, A AF Liu, J. Jaski, M. Borland, M. Jain, A. BE Shen, Q Nelson, C TI Tolerance Analyses of a Quadrupole Magnet for Advanced Photon Source Upgrade SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB Given physics requirements, the mechanical fabrication and assembly tolerances for storage ring magnets can be calculated using analytical methods [1, 2]. However, this method is not easy for complicated magnet designs [1]. In this paper, a novel method is proposed to determine fabrication and assembly tolerances consistent with physics requirements, through a combination of magnetic and mechanical tolerance analyses. In this study, finite element analysis using OPERA is conducted to estimate the effect of fabrication and assembly errors on the magnetic field of a quadrupole magnet and to determine the allowable tolerances to achieve the specified magnetic performances. Based on the study, allowable fabrication and assembly tolerances for the quadrupole assembly are specified for the mechanical design of the quadrupole magnet. Next, to achieve the required assembly level tolerances, mechanical tolerance stackup analyses using a 3D tolerance analysis package are carried out to determine the part and subassembly level fabrication tolerances. This method can be used to determine the tolerances for design of other individual magnets and of magnet strings. C1 [Liu, J.; Jaski, M.; Borland, M.] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. [Jain, A.] Brookhaven Natl Lab, Superconducting Magnet Div, POB 5000, Upton, NY 11973 USA. RP Liu, J (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM Jieliu@aps.anl.gov; jaski@aps.anl.gov; borland@aps.anl.gov; jain@bnl.gov NR 7 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020039 DI 10.1063/1.4952818 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800039 ER PT S AU Liu, ZP Gog, T Stoupin, SA Upton, MH Ding, Y Kim, JH Casa, DM Said, AH Carter, JA Navrotski, G AF Liu, Zunping Gog, Thomas Stoupin, Stanislav A. Upton, Mary H. Ding, Yang Kim, Jung-Ho Casa, Diego M. Said, Ayman H. Carter, Jason A. Navrotski, Gary BE Shen, Q Nelson, C TI High-Heat-Load Monochromator Options for the RIXS Beamline at the APS with the MBA Lattice SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab ID CRYSTALS AB With the MBA lattice for APS-Upgrade, tuning curves of 2.6 cm period undulators meet the source requirements for the RIXS beamline. The high-heat-load monochromator (HHLM) is the first optical white beam component. There are four options for the HHLM such as diamond monochromators with refrigerant of either water or liquid nitrogen (LN2), and silicon monochromators of either direct or indirect cooling system. Their performances are evaluated at energy 11.215 keV (Ir L-III edge). The cryo-cooled diamond monochromator has similar performance as the water-cooled diamond monochromator because GaIn of the Cu-GaIn-diamond interface becomes solid. The cryo-cooled silicon monochromators perform better, not only in terms of surface slope error due to thermal deformation, but also in terms of thermal capacity. C1 [Liu, Zunping; Gog, Thomas; Stoupin, Stanislav A.; Upton, Mary H.; Ding, Yang; Kim, Jung-Ho; Casa, Diego M.; Said, Ayman H.; Carter, Jason A.; Navrotski, Gary] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Lemont, IL 60439 USA. RP Liu, ZP (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Lemont, IL 60439 USA. EM zpliu@anl.gov; gog@aps.anl.gov NR 6 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 040046 DI 10.1063/1.4952918 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800139 ER PT S AU MacDowell, AA Barnard, H Parkinson, DY Haboub, A Larson, N Zok, F Parerai, F Mansour, NN Bale, H Gludovatz, B Acevedo, C Liu, D Ritchie, RO AF MacDowell, Alastair A. Barnard, Harold Parkinson, Dilworth Y. Haboub, Abdel Larson, Natalie Zok, Frank Parerai, Francesco Mansour, Nagi N. Bale, Hrishikesh Gludovatz, Bernd Acevedo, Claire Liu, Dong Ritchie, Robert O. BE Shen, Q Nelson, C TI High Temperature X-Ray Micro-Tomography SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB There is increasing demand for 3D micro-scale time-resolved imaging of samples in realistic - and in many cases extreme environments. The data is used to understand material response, validate and refine computational models which, in turn, can be used to reduce development time for new materials and processes. Here we present the results of high temperature experiments carried out at the x-ray micro-tomography beamline 8.3.2 at the Advanced Light Source. The themes involve material failure and processing at temperatures up to 1750 degrees C. The experimental configurations required to achieve the requisite conditions for imaging are described, with examples of ceramic matrix composites, spacecraft ablative heat shields and nuclear reactor core Gilsocarbon graphite. C1 [MacDowell, Alastair A.; Barnard, Harold; Parkinson, Dilworth Y.; Haboub, Abdel; Gludovatz, Bernd; Acevedo, Claire; Ritchie, Robert O.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Larson, Natalie; Zok, Frank] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Parerai, Francesco; Mansour, Nagi N.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Bale, Hrishikesh; Ritchie, Robert O.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Haboub, Abdel] Lincoln Univ, Jefferson City, MO 65101 USA. [Bale, Hrishikesh] Carl Zeiss Xray Microscopy, 4385 Hopyard Rd 100, Pleasanton, CA 94588 USA. [Acevedo, Claire] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Liu, Dong] Univ Bristol, Bristol BS8 1TH, Avon, England. RP MacDowell, AA (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM aamacdowell@lbl.gov RI Ritchie, Robert/A-8066-2008; Acevedo, Claire/R-6711-2016; OI Ritchie, Robert/0000-0002-0501-6998; Acevedo, Claire/0000-0001-5425-3052; Gludovatz, Bernd/0000-0002-2420-3879; Liu, Dong/0000-0002-5947-8362 NR 7 TC 0 Z9 0 U1 4 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 050005 DI 10.1063/1.4952925 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800146 ER PT S AU Macrander, A Erdmann, M Kujala, N Stoupin, S Marathe, S Shi, XB Wojcik, M Nocher, D Conley, R Sullivan, J Goetze, K Maser, J Assoufid, L AF Macrander, Albert Erdmann, Mark Kujala, Naresh Stoupin, Stanislav Marathe, Shashidhara Shi, Xianbo Wojcik, Michael Nocher, Dan Conley, Raymond Sullivan, Joseph Goetze, Kurt Maser, Jorg Assoufid, Lahsen BE Shen, Q Nelson, C TI X-ray Optics Testing Beamline 1-BM at the Advanced Photon Source SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB Beamline 1-BM at the APS has been reconfigured in part for testing of synchrotron optics with both monochromatic and white beams. Operational since 2013, it was reconfigured to accommodate users of the APS as well as users from other DOE facilities. Energies between 6 and 28 keV are available. The beamline was reconfigured to remove two large mirrors and to provide a 100 mm wide monochromatic beam at 54 m from the source. In addition a custom white beam shutter was implemented for topography exposures as short as 65 millisec over the full available horizontal width. Primary agendas include both white beam and monochromatic beam topography, Talbot grating interferometry, and tests of focusing optics. K-B mirrors, MLLs, and FZPs have been characterized. Measurements of the spatial coherence lengths on the beamline were obtained with Talbot interferometry. Topography data has been reported. C1 [Macrander, Albert; Erdmann, Mark; Kujala, Naresh; Stoupin, Stanislav; Marathe, Shashidhara; Shi, Xianbo; Wojcik, Michael; Nocher, Dan; Conley, Raymond; Sullivan, Joseph; Goetze, Kurt; Maser, Jorg; Assoufid, Lahsen] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Kujala, Naresh] European XFEL, Hamburg, Germany. [Marathe, Shashidhara] BARC, Bombay, Maharashtra, India. RP Macrander, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM atm@anl.gov NR 19 TC 0 Z9 0 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 030030 DI 10.1063/1.4952853 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800074 ER PT S AU Marton, Z Miller, SR Ovechkina, E Kenesei, P Moore, MD Woods, R Almer, JD Miceli, A Singh, B Nagarkar, VV AF Marton, Zsolt Miller, Stuart R. Ovechkina, Elena Kenesei, Peter Moore, Matthew D. Woods, Russell Almer, Jonathan D. Miceli, Antonino Singh, Bipin Nagarkar, Vivek V. BE Shen, Q Nelson, C TI Ultra-Fast LuI3: Ce Scintillators for Hard X-Ray Imaging SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB We have developed ultra-fast cerium-coped lutetium-iodide (LuI3:Ce) films thermally evaporated as polycrystalline, structured scintillator using hot wall epitaxy (HWE) method. The films have shown a 13 ns decay compared to the 28 ns reported for crystals. The fast speed coupled with its high density (similar to 5.6 g/cm(3)), high effective atomic number (59.7), and the fact that it can be vapor deposited in a columnar form makes LuI3:Ce an attractive candidate for high frame rate, high-resolution, hard X-ray imaging. In crystal form, LuI3:Ce has demonstrated bright (>100,000 photons/MeV) green (540 nm) emission, which is well matched to commercial CCD/CMOS sensors and is critical for maintaining high signal to noise ratio in light starved applications. Here, we report on the scintillation properties of films and those for corresponding crystalline material. The vapor grown films were integrated into a high-speed CMOS imager to demonstrate high-speed radiography capability. The films were also tested at Advanced Photon Source, Argonne National Laboratory beamline 1-ID under hard X-ray irradiation. The data show a factor of four higher efficiency than the reference LuAG:Ce scintillators, high image quality, and linearity of scintillation response over a wide energy range. The films were employed to perform hard X-ray microtomography, the results of which will also be discussed. C1 [Marton, Zsolt; Miller, Stuart R.; Ovechkina, Elena; Singh, Bipin; Nagarkar, Vivek V.] Radiat Monitoring Devices Inc, Watertown, MA 02472 USA. [Kenesei, Peter; Moore, Matthew D.; Woods, Russell; Almer, Jonathan D.; Miceli, Antonino] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Marton, Z (reprint author), Radiat Monitoring Devices Inc, Watertown, MA 02472 USA. EM zmarton@rmdinc.com NR 4 TC 0 Z9 0 U1 5 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 040035 DI 10.1063/1.4952907 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800128 ER PT S AU Parkinson, DY Beattie, K Chen, X Correa, J Dart, E Daurer, BJ Deslippe, JR Hexemer, A Krishnan, H MacDowell, AA Maia, FRNC Marchesini, S Padmore, HA Patton, SJ Perciano, T Sethian, JA Shapiro, D Stromsness, R Tamura, N Tierney, BL Tull, CE Ushizima, D AF Parkinson, Dilworth Y. Beattie, Keith Chen, Xian Correa, Joaquin Dart, Eli Daurer, Benedikt J. Deslippe, Jack R. Hexemer, Alexander Krishnan, Harinarayan MacDowell, Alastair A. Maia, Filipe R. N. C. Marchesini, Stefano Padmore, Howard A. Patton, Simon J. Perciano, Talita Sethian, James A. Shapiro, David Stromsness, Rune Tamura, Nobumichi Tierney, Brian L. Tull, Craig E. Ushizima, Daniela BE Shen, Q Nelson, C TI Real-Time Data-Intensive Computing SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB Today users visit synchrotrons as sources of understanding and discovery-not as sources of just light, and not as sources of data. To achieve this, the synchrotron facilities frequently provide not just light but often the entire end station and increasingly, advanced computational facilities that can reduce terabytes of data into a form that can reveal a new key insight. The Advanced Light Source (ALS) has partnered with high performance computing, fast networking, and applied mathematics groups to create a "super-facility", giving users simultaneous access to the experimental, computational, and algorithmic resources to make this possible. This combination forms an efficient closed loop, where data-despite its high rate and volume-is transferred and processed immediately and automatically on appropriate computing resources, and results are extracted, visualized, and presented to users or to the experimental control system, both to provide immediate insight and to guide decisions about subsequent experiments during beamtime. We will describe our work at the ALS ptychography, scattering, micro-diffraction, and micro-tomography beamlines. C1 [Parkinson, Dilworth Y.; Chen, Xian; Hexemer, Alexander; MacDowell, Alastair A.; Marchesini, Stefano; Padmore, Howard A.; Shapiro, David; Tamura, Nobumichi] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Beattie, Keith; Krishnan, Harinarayan; Marchesini, Stefano; Patton, Simon J.; Perciano, Talita; Sethian, James A.; Stromsness, Rune; Tull, Craig E.; Ushizima, Daniela] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Correa, Joaquin; Deslippe, Jack R.] Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. [Dart, Eli; Tierney, Brian L.] Energy Sci Network, Berkeley, CA 94720 USA. [Sethian, James A.] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Daurer, Benedikt J.; Maia, Filipe R. N. C.] Uppsala Univ, Uppsala, Sweden. RP Parkinson, DY (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM dyparkinson@lbl.gov RI Perciano, Talita/I-5977-2012; OI Perciano, Talita/0000-0002-2388-1803; Daurer, Benedikt/0000-0002-1887-7551 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 050001 DI 10.1063/1.4952921 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800142 ER PT S AU Popescu, R Xia, ZH Job, P Lee, WK AF Popescu, Razvan Xia, Zhenghua Job, Panakkal Lee, Wah-Keat BE Shen, Q Nelson, C TI NSLS-II Beamline Scattered Gas Bremsstrahlung Radiation Shielding Calculation SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB National Synchrotron Light Source II (NSLS-II) is a new state-of-the-art 3rd generation synchrotron. The NSLS-II facility is shielded up to 3 GeV electron beam energy at 500 mA. When the gas bremsstrahlung (GB) from the storage ring is scattered by the beamline components in the first optical enclosure (FOE), the scattered radiation will pose additional radiation hazard (bypassing primary GB collimators and stops) and challenge the FOE shielding. The scattered GB radiation hazard can be mitigated by supplementary shielding or with an exclusion zone downstream of the FOE. C1 [Popescu, Razvan; Xia, Zhenghua; Job, Panakkal; Lee, Wah-Keat] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Xia, ZH (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM xiazhenghuacn@hotmail.com NR 5 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 030019 DI 10.1063/1.4952842 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800063 ER PT S AU Seletskiy, S Amundsen, C Choi, J De Long, J Ha, K Hetzel, C Hseuh, H Hu, Y Ilinski, P Kosciuk, B Kramer, S Li, Y Maggipinto, M Mead, J Padrazo, D Shaftan, T Sharma, S Shen, G Singh, O Smith, R Wahl, W Wang, G Willeke, F Yang, L AF Seletskiy, S. Amundsen, C. Choi, J. De Long, J. Ha, K. Hetzel, C. Hseuh, H. Hu, Y. Ilinski, P. Kosciuk, B. Kramer, S. Li, Y. Maggipinto, M. Mead, J. Padrazo, D. Shaftan, T. Sharma, S. Shen, G. Singh, O. Smith, R. Wahl, W. Wang, G. Willeke, F. Yang, L. BE Shen, Q Nelson, C TI Commissioning of the Synchrotron Radiation Protection System and Beamlines Frontends at NSLS-II SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The first eight insertion devices (IDs) at the NSLS-II were commissioned during the fall run of 2014. In this paper we discuss commissioning of the synchrotron radiation protection (SRP) system and beamline frontends (FE) for the respective IDs. We describe the diagnostics utilized if FE commissioning and a procedure that was used for the alignment of the photon beam from insertion devices in the beamline frontends. Then we discuss the current status of the SRP system and operation of the commissioned frontends. C1 [Seletskiy, S.; Amundsen, C.; Choi, J.; De Long, J.; Ha, K.; Hetzel, C.; Hseuh, H.; Hu, Y.; Ilinski, P.; Kosciuk, B.; Kramer, S.; Li, Y.; Maggipinto, M.; Mead, J.; Padrazo, D.; Shaftan, T.; Sharma, S.; Singh, O.; Smith, R.; Wahl, W.; Wang, G.; Willeke, F.; Yang, L.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Shen, G.] Michigan State Univ, FRIB, E Lansing, MI 48824 USA. RP Seletskiy, S (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM seletskiy@bnl.gov OI Sharma, Sanjeev Kumar/0000-0002-3273-0708 NR 8 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020042 DI 10.1063/1.4952821 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800042 ER PT S AU Shu, DM AF Shu, Deming BE Shen, Q Nelson, C TI Progress of nanopositioning stages development for hard x-ray nanofocusing and coherence preservation optics at the APS SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB Customized flexure mechanisms and precision thermal expansion compensation are needed for the development of nanopositioning stages for hard x-ray nanofocusing and coherence preservation optics at the APS. Recent progress of such stage development is summarized in this paper, which includes: stages designed for alignment apparatus for K-B mirrors with 20-50 nm focal spot; alignment apparatus for six Fresnel zone plates stacking with 20 nm focal spot; stages for switchable multiple nanofocusing system; UHV hard x-ray monochromators for coherence related applications; and four-crystal hard x-ray split-and-delay line with coherence preservation. Preliminary test results for mechanical performance of these nanopositioning stages are also discussed in this paper. C1 [Shu, Deming] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Shu, DM (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM shu@aps.anl.gov NR 16 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 030012 DI 10.1063/1.4952835 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800056 ER PT S AU Shu, DM Shvyd'ko, YV Stoupin, S Kim, KJ AF Shu, Deming Shvyd'ko, Yuri V. Stoupin, Stanislav Kim, Kwang-Je BE Shen, Q Nelson, C TI Mechanical Design of Thin-film Diamond Crystal Mounting Apparatus for Coherence Preservation Hard X-ray Optics SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab ID MONOCHROMATOR AB A new thin-film diamond crystal mounting apparatus has been designed at the Advanced Photon Source (APS) for coherence preservation hard x-ray optics with optimized thermal contact and minimized crystal strain. This novel mechanical design can be applied to new development in the field of: x-ray optics cavities for hard x-ray free-electron laser oscillators (XFELOs), self-seeding monochromators for hard x-ray free-electron laser (XFEL) with high average thermal loading, high heat load diamond crystal monochromators and beam-sharing/beam-split-and-delay devices for XFEL facilities and future upgraded high-brightness coherent x-ray source in the MBA lattice configuration at the APS. C1 [Shu, Deming; Shvyd'ko, Yuri V.; Stoupin, Stanislav; Kim, Kwang-Je] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Shu, DM (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM shu@aps.anl.gov NR 9 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 030016 DI 10.1063/1.4952839 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800060 ER PT S AU Smedley, J Muller, E Pinelli, D Ding, WX Gaoweia, M Zhou, TY Bohon, J AF Smedley, John Muller, Erik Pinelli, Don Ding, Wenxiang Gaoweia, Mengjia Zhou, Tianyi Bohon, Jen BE Shen, Q Nelson, C TI Transmission Diamond Imaging Detector SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab ID BEAM-POSITION AB Many modern synchrotron techniques are trending toward use of high flux beams and/or beams which require enhanced stability and precise understanding of beam position and intensity from the front end of the beamline all the way to the sample. For high flux beams, major challenges include heat load management in optics (including the vacuum windows) and a mechanism of real-time volumetric measurement of beam properties such as flux, position, and morphology. For beam stability in these environments, feedback from such measurements directly to control systems for optical elements or to sample positioning stages would be invaluable. To address these challenges, we are developing diamond-based instrumented vacuum windows with integrated volumetric x-ray intensity, beam profile and beam-position monitoring capabilities. A 50 mu m thick single crystal diamond has been lithographically patterned to produce 60 mu m pixels, creating a >1kilopixel free-standing transmission imaging detector. This device, coupled with a custom, FPGA-based readout, has been used to image both white and monochromatic x-ray beams and capture the last x-ray photons at the National Synchrotron Light Source (NSLS). This technology will form the basis for the instrumented end-station window of the x-ray footprinting beamline (XFP) at NSLS-II. C1 [Smedley, John; Pinelli, Don; Gaoweia, Mengjia] Brookhaven Natl Lab, Upton, NY 11973 USA. [Muller, Erik; Ding, Wenxiang; Zhou, Tianyi] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Bohon, Jen] Case Western Reserve Univ, Ctr Prote & Bioinformat, Case Ctr Synchrotron Biosci, Cleveland, OH 44106 USA. RP Smedley, J (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM smedley@bnl.gov NR 6 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 040006 DI 10.1063/1.4952878 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800099 ER PT S AU Stoupin, S Shvyd'ko, Y Trakhtenberg, E Liu, ZP Lang, K Huang, XR Wieczorek, M Kasman, E Hammonds, J Macrander, A Assoufid, L AF Stoupin, Stanislav Shvyd'ko, Yuri Trakhtenberg, Emil Liu, Zunping Lang, Keenan Huang, Xianrong Wieczorek, Michael Kasman, Elina Hammonds, John Macrander, Albert Assoufid, Lahsen BE Shen, Q Nelson, C TI Sequential X-ray Diffraction Topography at 1-BM X-ray Optics Testing Beamline at the Advanced Photon Source SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab ID RESOLUTION AB We report progress on implementation and commissioning of sequential X-ray diffraction topography at 1-BM Optics Testing Beamline of the Advanced Photon Source to accommodate growing needs of strain characterization in diffractive crystal optics and other semiconductor single crystals. The setup enables evaluation of strain in single crystals in the nearly-nondispersive double-crystal geometry. Si asymmetric collimator crystals of different crystallographic orientations were designed, fabricated and characterized using in-house capabilities. Imaging the exit beam using digital area detectors permits rapid sequential acquisition of X-ray topographs at different angular positions on the rocking curve of a crystal under investigation. Results on sensitivity and spatial resolution are reported based on experiments with high-quality Si and diamond crystals. The new setup complements laboratory-based X-ray topography capabilities of the Optics group at the Advanced Photon Source. C1 [Stoupin, Stanislav; Shvyd'ko, Yuri; Trakhtenberg, Emil; Liu, Zunping; Lang, Keenan; Huang, Xianrong; Wieczorek, Michael; Kasman, Elina; Hammonds, John; Macrander, Albert; Assoufid, Lahsen] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Stoupin, S (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM sstoupin@aps.anl.gov NR 10 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 050020 DI 10.1063/1.4952940 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800161 ER PT S AU Stoupin, S Raghothamachar, B Dudley, M Liu, ZP Trakhtenberg, E Lang, K Goetze, K Sullivan, J Macrander, A AF Stoupin, Stanislav Raghothamachar, Balaji Dudley, Michael Liu, Zunping Trakhtenberg, Emil Lang, Keenan Goetze, Kurt Sullivan, Joseph Macrander, Albert BE Shen, Q Nelson, C TI Projection X-ray Topography System at 1-BM X-ray Optics Test Beamline at the Advanced Photon Source SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab ID CRYSTALS AB Projection X-ray topography of single crystals is a classic technique for the evaluation of intrinsic crystal quality of large crystals. In this technique a crystal sample and an area detector (e.g., X-ray film) collecting intensity of a chosen crystallographic reflection are translated simultaneously across an X-ray beam collimated in the diffraction scattering plane (e.g., [1, 2]). A bending magnet beamline of a third-generation synchrotron source delivering x-ray beam with a large horizontal divergence, and therefore, a large horizontal beam size at a crystal sample position offers an opportunity to obtain X-ray topographs of large crystalline samples (e.g., 6-inch wafers) in just a few exposures. Here we report projection X-ray topography system implemented recently at 1-BM beamline of the Advanced Photon Source. A selected X-ray topograph of a 6-inch wafer of 4H-SiC illustrates capabilities and limitations of the technique. C1 [Stoupin, Stanislav; Liu, Zunping; Trakhtenberg, Emil; Lang, Keenan; Goetze, Kurt; Sullivan, Joseph; Macrander, Albert] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Raghothamachar, Balaji; Dudley, Michael] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. RP Stoupin, S (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM sstoupin@aps.anl.gov NR 6 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 050018 DI 10.1063/1.4952938 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800159 ER PT S AU Tanabe, T Hidaka, Y Kitegi, C Hidas, D Musardo, M Harder, DA Rank, J Cappadoro, P Fernandes, H Corwin, T AF Tanabe, T. Hidaka, Y. Kitegi, C. Hidas, D. Musardo, M. Harder, D. A. Rank, J. Cappadoro, P. Fernandes, H. Corwin, T. BE Shen, Q Nelson, C TI Latest Experiences and Future Plans on NSLS-II Insertion Devices SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB National Synchrotron Light Source-II (NSLS-II) is the latest storage ring of 3 GeV energy at the Brookhaven National Laboratory (BNL). The horizontal emittance of the electron beam with the currently installed six damping wigglers is 0.9 nm. rad, which could be further reduced to 0.5 nm. rad with more insertion devices (IDs). With only one RF cavity the beam current is restricted to 200 mA. Five hundred mA operation is envisaged for next year with an addition of the second cavity. Six (plus two branches) beamlines have been commissioned in the initial phase of the project. In July 2015, three NIH funded beamlines called "Advanced Beamlines for Biological Investigations with Xrays" (ABBIX) will be added for operation. This paper describes the experiences of ID development, installation, and commissioning for the NSLS-II project as well as our future plans to improve the performance of the facility in terms of source development. C1 [Tanabe, T.; Hidaka, Y.; Kitegi, C.; Hidas, D.; Musardo, M.; Harder, D. A.; Rank, J.; Cappadoro, P.; Fernandes, H.; Corwin, T.] Brookhaven Natl Lab, Energy Sci Directorate, Upton, NY 11973 USA. RP Tanabe, T (reprint author), Brookhaven Natl Lab, Energy Sci Directorate, Upton, NY 11973 USA. EM ttanabe@bnl.gov NR 8 TC 1 Z9 1 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020004 DI 10.1063/1.4952783 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800004 ER PT S AU Valleau, M Benabderrahmane, C Briquez, F Berteaud, P Tavakoli, K Zerbib, D Chapuis, L Marteau, F Marcouille, O El Ajjouri, T Veteran, J Sharma, G Kitegi, C Tilmont, M Castro, JD N'Guyen, MH Bechu, N Rommeluere, P Louvet, M Filhol, JM Nadji, A Herbeaux, C Marlats, JL Couprie, ME AF Valleau, M. Benabderrahmane, C. Briquez, F. Berteaud, P. Tavakoli, K. Zerbib, D. Chapuis, L. Marteau, F. Marcouille, O. El Ajjouri, T. Veteran, J. Sharma, G. Kitegi, C. Tilmont, M. Castro, J. Da Silva N'Guyen, M. -H. Bechu, N. Rommeluere, P. Louvet, M. Filhol, J. -M. Nadji, A. Herbeaux, C. Marlats, J. -L. Couprie, M. -E. BE Shen, Q Nelson, C TI Development of Cryogenic Undulators with PrFeB Magnets at SOLEIL SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB Short period high field undulators are of interest for X-ray brilliance enhancement in synchrotron radiation applications and for compact Free Electron Lasers. Cryogenic in-vacuum undulators [1] are one of the possible solutions. At SOLEIL, PrFeB magnets were directly chosen, even if still under development at that time. Indeed, they enable to avoid the spin transition reorientation phenomenon which occurs with NdFeB magnets [2] and the magnets can be cooled down directly at 77 K. The first selected grade CR53 from Hitachi presents a remanence of 1.35 T at 293 K and 1.57 T at 77 K, with a coercivity of 1355 kA/m at 293 K and 6000 kA/m at 77 K. A 2 m long cryogenic undulator of period 18 mm was first built in- house, with a specific Hall probe bench directly installed in the final vacuum chamber. This first cryogenic undulator has been in operation on the storage ring for 4 years [3]. A second U18 cryo-ready undulator using a slightly different magnet grade with a higher coercivity and modules with magnets surrounded by two half poles for easier magnetic optimization is under construction. A third 3 m long cryo-ready undulator U15 with a period of 15 mm is under development. It will be first used for the LUNEX5 FEL [4, 5] project (COXINEL demonstration of FEL amplification with a laser wakefield acceleration [6]). The measurement bench will include a correction of the Hall probe position and angle, the field integrals will be measured with a stretched wire. C1 [Valleau, M.; Benabderrahmane, C.; Briquez, F.; Berteaud, P.; Tavakoli, K.; Zerbib, D.; Chapuis, L.; Marteau, F.; Marcouille, O.; El Ajjouri, T.; Veteran, J.; Sharma, G.; Tilmont, M.; Castro, J. Da Silva; N'Guyen, M. -H.; Bechu, N.; Rommeluere, P.; Louvet, M.; Nadji, A.; Herbeaux, C.; Marlats, J. -L.; Couprie, M. -E.] Synchrotron Soleil, BP 34, F-91192 Gif Sur Yvette, France. [Kitegi, C.] Brookhaven Natl Lab, POB 5000, Upton, NY 11973 USA. [Filhol, J. -M.] Fus Energy, C Josep Pla 2 Torres Diagonal Litoral B3, Barcelona 08019, Spain. RP Valleau, M (reprint author), Synchrotron Soleil, BP 34, F-91192 Gif Sur Yvette, France. EM valleau@synchrotron-soleil.fr NR 12 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020024 DI 10.1063/1.4952803 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800024 ER PT S AU Vodnala, P Karunaratne, N Bera, S Lurio, L Thurston, GM Karonis, N Winans, J Sandy, A Narayanan, S Yasui, L Gaillard, E Karumanchi, K AF Vodnala, Preeti Karunaratne, Nuwan Bera, Sambhunath Lurio, Laurence Thurston, George M. Karonis, Nick Winans, John Sandy, Alec Narayanan, Suresh Yasui, Linda Gaillard, Elizabeth Karumanchi, Kalyan BE Shen, Q Nelson, C TI Radiation Damage Limits to XPCS Studies of Protein Dynamics SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab ID SPECTROSCOPY AB The limitations to x-ray photon correlation spectroscopy (XPCS) imposed by radiation damage have been evaluated for suspensions of alpha crystallin. We find that the threshold for radiation damage to the measured protein diffusion rate is significantly lower than the threshold for damage to the protein structure. We provide damage thresholds beyond which the measured diffusion coefficients have been modified using both XPCS and dynamic light scattering (DLS). C1 [Vodnala, Preeti; Karunaratne, Nuwan; Lurio, Laurence] Northern Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Bera, Sambhunath] Amity Univ UP, Amity Ctr Spintron Mat, Sect 125, Noida 201313, India. [Thurston, George M.] Rochester Inst Technol, Sch Phys & Astron, Rochester, NY 14623 USA. [Karonis, Nick; Winans, John] Northern Illinois Univ, Dept Comp Sci, De Kalb, IL 60115 USA. [Karonis, Nick] Argonne Natl Lab, Math & Comp Sci, Argonne, IL 60495 USA. [Sandy, Alec; Narayanan, Suresh] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60495 USA. [Yasui, Linda] Northern Illinois Univ, Dept Biol, De Kalb, IL 60115 USA. [Gaillard, Elizabeth; Karumanchi, Kalyan] Northern Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA. RP Vodnala, P (reprint author), Northern Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. EM preeti.vodnala@gmail.com NR 6 TC 0 Z9 0 U1 4 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 050026 DI 10.1063/1.4952946 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800167 ER PT S AU Voronov, DL Warwick, T Gullikson, EM Salmassi, F Padmore, HA AF Voronov, D. L. Warwick, T. Gullikson, E. M. Salmassi, F. Padmore, H. A. BE Shen, Q Nelson, C TI Innovative Diffraction Gratings for High-resolution Resonant Inelastic Soft X-ray Scattering Spectroscopy SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab ID MULTILAYER; SPECTROMETER; EFFICIENCY AB High-resolution Resonant Inelastic X-ray Scattering (RIXS) requires diffraction gratings with very exacting characteristics. The gratings should provide both very high dispersion and high efficiency which are conflicting requirements and extremely challenging to satisfy in the soft x-ray region for a traditional grazing incidence geometry. To achieve high dispersion one should increase the groove density of a grating; this however results in a diffraction angle beyond the critical angle range and results in drastic efficiency loss. The problem can be solved by use of multilayer coated blazed gratings (MBG). In this work we have investigated the diffraction characteristics of MBGs via numerical simulations and have developed a procedure for optimization of grating design for a multiplexed high resolution imaging spectrometer for RIXS spectroscopy to be built in sector 6 at the Advanced Light Source (ALS). We found that highest diffraction efficiency can be achieved for gratings optimized for 4th or 5th order operation. Fabrication of such gratings is an extremely challenging technological problem. We present a first experimental prototype of these gratings and report its performance. High order and high line density gratings have the potential to be a revolutionary new optical element that should have great impact in the area of soft x-ray RIXS. C1 [Voronov, D. L.; Warwick, T.; Gullikson, E. M.; Salmassi, F.; Padmore, H. A.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Voronov, DL (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM dlvoronov@lbl.gov NR 8 TC 0 Z9 0 U1 6 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 040015 DI 10.1063/1.4952887 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800108 ER PT S AU Walko, DA Adams, BW Doumy, G Dufresne, EM Li, YL March, AM Sandy, AR Wang, J Wen, HD Zhu, Y AF Walko, D. A. Adams, B. W. Doumy, G. Dufresne, E. M. Li, Yuelin March, A. M. Sandy, A. R. Wang, Jin Wen, Haidan Zhu, Yi BE Shen, Q Nelson, C TI Developments in Time-Resolved X-ray Research at APS Beamline 7ID SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The 7ID beamline of the Advanced Photon Source (APS) is dedicated to time-resolved research using x-ray imaging, scattering, and spectroscopy techniques. Time resolution is achieved via gated detectors and/or mechanical choppers in conjunction with the time structure of the x-ray beam. Three experimental hutches allow for a wide variety of experimental setups. Major areas of research include atomic, molecular, and optical physics; chemistry; condensed matter physics in the bulk, thin film, and surface regimes; and fluid-spray dynamics. Recent developments in facilities at 7ID include a high-power, high-repetition-rate picosecond laser to complement the 1 kHz ultrafast laser. For the ultrafast laser, a newly commissioned optical parametric amplifier provides pump wavelength from 0.2 to 15 mu m with energy per pulse up to 200 mu J. A nanodiffraction station has also been commissioned, using Fresnel zone-plate optics to achieve a focused x-ray spot of 300 nm. This nanoprobe is not only used to spatially resolve the evolution of small features in samples after optical excitation, but also has been combined with an intense THz source to study material response under ultrafast electric fields. C1 [Walko, D. A.; Adams, B. W.; Doumy, G.; Dufresne, E. M.; Li, Yuelin; March, A. M.; Sandy, A. R.; Wang, Jin; Wen, Haidan; Zhu, Yi] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Walko, DA (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM d-walko@anl.gov NR 11 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 030048 DI 10.1063/1.4952871 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800092 ER PT S AU Wallen, E Arbelaez, D Brown, A D'Ewart, M Dougherty, J Corlett, J DeMello, A Hanzel, K Jung, JY Leitner, M Madur, A McCombs, K Marks, S Munson, D Plate, D Pucci, J Rowen, M Ray, K Schlueter, R San Mateo, E AF Wallen, E. Arbelaez, D. Brown, A. D'Ewart, M. Dougherty, J. Corlett, J. DeMello, A. Hanzel, K. Jung, J. -Y. Leitner, M. Madur, A. McCombs, K. Marks, S. Munson, D. Plate, D. Pucci, J. Rowen, M. Ray, K. Schlueter, R. San Mateo, E. BE Shen, Q Nelson, C TI Status of the LCLS-II Undulators SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The new free electron laser facility Linear Coherent Light Source II (LCLS-II) under construction at SLAC National Accelerator Laboratory will use planar variable gap undulators of hybrid type for the production of free electron laser (FEL) radiation. The LCLS-II will include two FELs with two separate rows of undulators to generate soft and hard x-rays. The soft x-rays will be produced by undulators with 39 mm period length (SXR) and the hard x-rays will be produced by undulators with 26 mm period length (HXR). Both the SXR and the HXR undulators are 3.4 m long and they use a common support structure and frame. In total 21 SXR and 32 HXR undulators will be produced by Lawrence Berkeley National Laboratory in collaboration with SLAC National Accelerator Laboratory. A full-scale prototype with 32 mm period length, called HXU, has been assembled at Lawrence Berkeley National Laboratory (LBNL). The present status of the design, prototyping, and pre-series production of the SXR and HXR undulators are presented in this paper together with the first results from measurements on the full scale HXU prototype. C1 [Wallen, E.; Arbelaez, D.; Brown, A.; Dougherty, J.; Corlett, J.; DeMello, A.; Hanzel, K.; Jung, J. -Y.; Leitner, M.; Madur, A.; McCombs, K.; Marks, S.; Munson, D.; Plate, D.; Pucci, J.; Ray, K.; Schlueter, R.; San Mateo, E.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [D'Ewart, M.; Rowen, M.] SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. RP Wallen, E (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ejwallen@lbl.gov NR 0 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020025 DI 10.1063/1.4952804 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800025 ER PT S AU Wang, G Shaftan, T Bassi, G Bengtsson, J Blednykh, A Blum, E Cheng, W Choi, J Davidsaver, M Doom, L Fliller, R Ganetis, G Guo, W Hidaka, Y Kramer, S Li, Y Podobedov, B Qian, K Rose, J Seletskiy, S Singh, O Smaluk, V Smith, R Summers, T Tanabe, T Willeke, F Yang, L Yang, X Yu, L AF Wang, G. Shaftan, T. Bassi, G. Bengtsson, J. Blednykh, A. Blum, E. Cheng, W. Choi, J. Davidsaver, M. Doom, L. Fliller, R. Ganetis, G. Guo, W. Hidaka, Y. Kramer, S. Li, Y. Podobedov, B. Qian, K. Rose, J. Seletskiy, S. Singh, O. Smaluk, V. Smith, R. Summers, T. Tanabe, T. Willeke, F. Yang, L. Yang, X. Yu, L. BE Shen, Q Nelson, C TI NSLS-II Commissioning and Operation SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The National Synchrotron Light Source II at Brookhaven National Lab is a third-generation synchrotron radiation facility that has been commissioned in 2014. The facility is based on a 3 GeV electron storage ring, which will circulate 500 mA of beam current at 1 nm rad horizontal emittance. The storage ring is 792 meters in circumference and will accommodate more than 60 beamlines in the final built-out. The beamline sources range from insertion-devices located in straight sections, bending magnets or three-pole-wigglers configured in multiple branches. The NSLS-II storage ring commissioning was successfully completed in July 2014 and the facility delivered the first user light on October 23, 2014. Currently the storage ring reached 300 mA beam current and achieved 1 nm rad of horizontal emittance with 3 sets of Damping Wigglers. At this point six NSLS-II project beamlines are routinely taking photons with beam current at 150 mA. This paper reviews the NSLS-II accelerator design and commissioning experience. C1 [Wang, G.; Shaftan, T.; Bassi, G.; Bengtsson, J.; Blednykh, A.; Blum, E.; Cheng, W.; Choi, J.; Davidsaver, M.; Doom, L.; Fliller, R.; Ganetis, G.; Guo, W.; Hidaka, Y.; Kramer, S.; Li, Y.; Podobedov, B.; Qian, K.; Rose, J.; Seletskiy, S.; Singh, O.; Smaluk, V.; Smith, R.; Summers, T.; Tanabe, T.; Willeke, F.; Yang, L.; Yang, X.; Yu, L.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Wang, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM gwang@bnl.gov NR 10 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020007 DI 10.1063/1.4952786 PG 8 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800007 ER PT S AU Wang, G Shaftan, T Amundsen, C Bassi, G Bengtsson, J Blednykh, A Blum, E Cheng, W Choi, J Chubar, O Corwin, T Davidsaver, M Doom, L Guo, W Harder, D Hidaka, Y Hu, Y Ilinski, P Kitegi, C Kramer, S Li, Y Musardo, M Padrazo, D Podobedov, B Qian, K Rainer, R Rank, J Seletskiy, S Sharma, S Singh, O Smaluk, V Smith, R Summers, T Tanabe, T Willeke, F Yang, L Yang, X Yu, L AF Wang, G. Shaftan, T. Amundsen, C. Bassi, G. Bengtsson, J. Blednykh, A. Blum, E. Cheng, W. Choi, J. Chubar, O. Corwin, T. Davidsaver, M. Doom, L. Guo, W. Harder, D. Hidaka, Y. Hu, Y. Ilinski, P. Kitegi, C. Kramer, S. Li, Y. Musardo, M. Padrazo, D. Podobedov, B. Qian, K. Rainer, R. Rank, J. Seletskiy, S. Sharma, S. Singh, O. Smaluk, V. Smith, R. Summers, T. Tanabe, T. Willeke, F. Yang, L. Yang, X. Yu, L. BE Shen, Q Nelson, C TI NSLS-II Storage Ring Insertion Device and Front-End Commissioning and operation SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB The National Synchrotron Light Source II (NSLS-II) is a state of the art 3 GeV third generation light source at Brookhaven National Laboratory. During spring/summer of 2014, the storage ring was commissioned up to 50 mA without insertion devices. In the fall of 2014, we began commissioning of the project beamlines, which included seven insertion devices on six ID ports. Beamlines IXS, HXN, CSX-1, CSX-2, CHX, SRX, and XPD-1 consist of elliptically polarized undulator (EPU), damping wigglers (DW) and in-vacuum undulators (IVU) covering from VUV to hard x-ray range. In this paper, experience with commissioning and operation is discussed. We focus on reaching storage ring performance with IDs, including injection, design emittance, compensation of orbit distortions caused by ID residual field, source point stability, beam alignment and tools for control, monitoring and protection of the ring chambers from ID radiation. C1 [Wang, G.; Shaftan, T.; Amundsen, C.; Bassi, G.; Bengtsson, J.; Blednykh, A.; Blum, E.; Cheng, W.; Choi, J.; Chubar, O.; Corwin, T.; Davidsaver, M.; Doom, L.; Guo, W.; Harder, D.; Hidaka, Y.; Hu, Y.; Ilinski, P.; Kitegi, C.; Kramer, S.; Li, Y.; Musardo, M.; Padrazo, D.; Podobedov, B.; Qian, K.; Rainer, R.; Rank, J.; Seletskiy, S.; Sharma, S.; Singh, O.; Smaluk, V.; Smith, R.; Summers, T.; Tanabe, T.; Willeke, F.; Yang, L.; Yang, X.; Yu, L.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Wang, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM gwang@bnl.gov OI Sharma, Sanjeev Kumar/0000-0002-3273-0708 NR 8 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020044 DI 10.1063/1.4952823 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800044 ER PT S AU Wiegart, L Fluerasu, A Bruhwiler, D Chubar, O AF Wiegart, L. Fluerasu, A. Bruhwiler, D. Chubar, O. BE Shen, Q Nelson, C TI Partially Coherent Wavefront Propagation Simulations: Mirror and Monochromator Crystal Quality Assessment SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB We have applied fully-and partially-coherent synchrotron radiation wavefront propagation simulations, implemented in the "Synchrotron Radiation Workshop" (SRW) computer code, to analyse the effects of imperfect mirrors and monochromator at the Coherent Hard X-ray beamline. This beamline is designed for X-ray Photon Correlation Spectroscopy, a technique that heavily relies on the partial coherence of the X-ray beam and benefits from a careful preservation of the X-ray wavefront. We present simulations and a comparison with the measured beam profile at the sample position, which show the impact of imperfect optics on the wavefront. C1 [Wiegart, L.; Fluerasu, A.; Chubar, O.] Brookhaven Natl Lab, NSLS II Photon Sci Div, Upton, NY 11973 USA. [Bruhwiler, D.] RadiaSoft LLC, 1348 Redwood Ave, Boulder, CO 80304 USA. RP Wiegart, L (reprint author), Brookhaven Natl Lab, NSLS II Photon Sci Div, Upton, NY 11973 USA. EM lwiegart@bnl.gov NR 5 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 040013 DI 10.1063/1.4952885 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800106 ER PT S AU Xu, JZ Strelnikov, N Vasserman, I AF Xu, Joseph Z. Strelnikov, Nikita Vasserman, Isaac BE Shen, Q Nelson, C TI Algorithms to Automate Gap-Dependent Integral Tuning for the 2.8-Meter Long Horizontal Field Undulator with a Dynamic Force Compensation Mechanism SO PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th International Conference on Synchrotron Radiation Instrumentation (SRI) CY JUL 06-10, 2015 CL New York, NY SP Natl Synchrotron Light Source II, Brookhaven Natl Lab AB A 2.8-meter long horizontal field prototype undulator with a dynamic force compensation mechanism has been developed and tested at the Advanced Photon Source (APS) at Argonne National Laboratory (Argonne). The magnetic tuning of the undulator integrals has been automated and accomplished by applying magnetic shims. A detailed description of the algorithms and performance is reported. C1 [Xu, Joseph Z.; Strelnikov, Nikita; Vasserman, Isaac] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Strelnikov, Nikita] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. RP Xu, JZ (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM x@anl.gov NR 3 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 978-0-7354-1398-6 J9 AIP CONF PROC PY 2016 VL 1741 AR 020028 DI 10.1063/1.4952807 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA BF6KB UT WOS:000383222800028 ER PT J AU Chien, AA AF Chien, Andrew A. GP ACM TI New Opportunities for PODC? Massive, Volatile, but Highly Predictable Resources SO PROCEEDINGS OF THE 2016 ACM SYMPOSIUM ON PRINCIPLES OF DISTRIBUTED COMPUTING (PODC'16) LA English DT Proceedings Paper CT 35th ACM SIGACT-SIGOPS Symposium on Principles of Distributed Computing (PODC) CY JUL 25-28, 2016 CL Chicago, IL SP Assoc Comp Machinery, ACM SIGACT, ACM SIGOPS AB Classical models for distributed systems focus on fine-grained resources and failures (e.g. single processes and fail-stop or byzantine). Cheap hardware, the rise of the worldwide web, and now the rise of cloud computing has transformed distributed systems practice. Instead of single resources, application sites have ten-thousands of virtual machines, and in addition to independent failures, there are a raft of correlated failure modes. Motivated by the reality the computing is the fastest growing consumer of electric power (and associated carbon emissions), we are creating new model for cloud computing systems, Zero-carbon Cloud, that taps a growing phenomenon of "stranded power"-energy that is generated, but has no economic value. Stranded power is significant today (7.7 terawatt-hours in the Midwest power grid in 2014, perhaps 50 TWH worldwide), and growing rapidly as concerns about climate change drive a conversion of the grid to intermittent renewable energy generation such as wind and solar. Zero-carbon cloud resources have several novel properties. First, they have correlated availability at massive scale 10K-1M cores in an entire data center will go on or offline at once. Second, these periods may be highly predictable-- external factors such as weather, predicted load, and power markets shape the availability of stranded power. Third, these properties can be engineered for example, a small amount of energy storage can be used to "delay" unavailability. We will propose Zero-carbon cloud, or massive volatile resources based on stranded power as an interesting new model for a variety of classical distributed systems challenges (consistency, etc.) and new challenges for optimization. More information is available at httpJ/zccloud.cs.uchicaga.edul C1 [Chien, Andrew A.] Univ Chicago, Argonne Natl Lab, Chicago, IL 60637 USA. RP Chien, AA (reprint author), Univ Chicago, Argonne Natl Lab, Chicago, IL 60637 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-3964-3 PY 2016 BP 1 EP 1 DI 10.1145/2933057.2933122 PG 1 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF6WI UT WOS:000383741300001 ER PT J AU Jang, JY Han, K Lee, D Jia, HY Shih, PC AF Jang, Jin Yea Han, Kyungsik Lee, Dongwon Jia, Haiyan Shih, Patrick C. GP ACM TI Teens Engage More with Fewer Photos: Temporal and Comparative Analysis on Behaviors in Instagram SO PROCEEDINGS OF THE 27TH ACM CONFERENCE ON HYPERTEXT AND SOCIAL MEDIA (HT'16) LA English DT Proceedings Paper CT 27th ACM Conference on Hypertext and Social Media (HT) CY JUL 10-13, 2016 CL Halifax, CANADA SP Assoc Comp Machinery, ACM SIGWEB, ACM SIGCHI DE Teens; age difference; comparative analysis; Instagram ID SOCIAL NETWORKING SITES; SELF-PRESENTATION; ADOLESCENTS; FACEBOOK; NARCISSISM; IDENTITY; PRIVACY; ESTEEM; MEDIA AB Research has suggested that teens are more active and engaged than adults on social media. Most of such observations, however, have been made through the analysis of limited ethnographic or cross-sectional data. Using a temporally extended, large-scale dataset and comparative analyses to remedy this shortcoming, we examined how and why the age difference in the behaviors of users in Instagram might have occurred through the lenses of social cognition, developmental psychology, and human-computer interaction. We proposed two hypotheses - teens as digital natives and the need for social interactions - as the theoretical framework for understanding the factors that help explain the behavioral differences. Our computational analysis identified the following novel findings: (1) teens post fewer photos than adults; (2) teens remove more photos based on the number of Likes the photos received; and (3) teens have less diverse photo content. Our analysis was also able to confirm prior ethnographic accounts that teens are more engaged in Liking and commenting, and express their emotions and social interests more than adults. We discussed theoretical and practical interpretations and implications as well as future research directions from the results. Our datasets are available at: https://goo.gl/LqTYNv C1 [Jang, Jin Yea; Lee, Dongwon; Jia, Haiyan] Penn State Univ, University Pk, PA 16802 USA. [Han, Kyungsik] Pacific Northwest Natl Lab, Richland, WA 99352 USA. [Shih, Patrick C.] Indiana Univ, Bloomington, IN 47405 USA. RP Jang, JY (reprint author), Penn State Univ, University Pk, PA 16802 USA. EM jzj157@psu.edu; kyungsik.han@pnnl.gov; dongwon@psu.edu; hjia@psu.edu; patshih@indiana.edu RI Han, Kyungsik/D-3010-2017 OI Han, Kyungsik/0000-0001-5535-0081 NR 44 TC 0 Z9 0 U1 18 U2 18 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-4247-6 PY 2016 BP 71 EP 81 DI 10.1145/2914586.2914602 PG 11 WC Computer Science, Information Systems; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF6UX UT WOS:000383738200009 ER PT J AU Rizzi, F Morris, K Sargsyan, K Mycek, P Safta, C Debusschere, B AF Rizzi, Francesco Morris, Karla Sargsyan, Khachik Mycek, Paul Safta, Cosmin Debusschere, Bert GP ACM TI ULFM-MPI Implementation of a Resilient Task-Based Partial Differential Equations Preconditioner SO PROCEEDINGS OF THE ACM WORKSHOP ON FAULT-TOLERANCE FOR HPC AT EXTREME SCALE (FTXS'16) LA English DT Proceedings Paper CT ACM Workshop on Fault-Tolerance for HPC at Extreme Scale (FTXS) CY MAY 31, 2016 CL Kyoto, JAPAN SP Assoc Comp Machinery, ACM SIGARCH, Univ Arizona ID RECOVERY AB We present a task-based domain-decomposition preconditioner for partial differential equations (PDEs) resilient to silent data corruption (SDC) and hard faults. The algorithm exploits a reformulation of the PDE as a sampling problem, followed by a regression-based solution update that is resilient to SDC. We adopt a server-client model implemented using the User Level Fault Mitigation MPI (MPI-ULFM). All state information is held by the servers, while clients only serve as computational units. The task-based nature of the algorithm and the capabilities of ULFM are complemented at the algorithm level to support missing tasks, making the application resilient to hard faults affecting the clients. Weak and strong scaling tests up to similar to 115k cores show an excellent performance of the application with efficiencies above 90%, demonstrating the suitability to run at large scale. We demonstrate the resilience of the application for a 2D elliptic PDE by injecting SDC using a random single bit flip model, and hard faults in the form of clients crashing. We show that in all cases, the application converges to the right solution. We analyze the overhead caused by the faults, and show that, for the test problem considered, the overhead incurred due to SDC is minimal compared to that from the hard faults. C1 [Rizzi, Francesco; Morris, Karla; Sargsyan, Khachik; Safta, Cosmin; Debusschere, Bert] Sandia Natl Labs, Livermore, CA 94551 USA. [Mycek, Paul] Duke Univ, Durham, NC USA. RP Rizzi, F (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM fnrizzi@sandia.gov; knmorri@sandia.gov; ksargsy@sandia.gov; paul.mycek@duke.edu; csafta@sandia.gov; bjdebus@sandia.gov OI Mycek, Paul/0000-0002-6919-112X NR 20 TC 1 Z9 1 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-4349-7 PY 2016 BP 19 EP 26 DI 10.1145/2909428.2909429 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF6WA UT WOS:000383740400004 ER PT J AU Parchman, ZW Vallee, GR Naughton, T Engelmann, C Bernholdt, D Scott, SL AF Parchman, Zachary W. Vallee, Geoffroy R. Naughton, Thomas Engelmann, Christian Bernholdt, David Scott, Stephen L. GP ACM TI Adding Fault Tolerance to NPB Benchmarks Using ULFM SO PROCEEDINGS OF THE ACM WORKSHOP ON FAULT-TOLERANCE FOR HPC AT EXTREME SCALE (FTXS'16) LA English DT Proceedings Paper CT ACM Workshop on Fault-Tolerance for HPC at Extreme Scale (FTXS) CY MAY 31, 2016 CL Kyoto, JAPAN SP Assoc Comp Machinery, ACM SIGARCH, Univ Arizona DE message passing interface; fault tolerance; benchmark AB In the world of high-performance computing, fault tolerance and application resilience are becoming some of the primary concerns because of increasing hardware failures and memory corruptions. While the research community has been investigating various options, from system-level solutions to application-level solutions, standards such as the Message Passing Interface (MPI) are also starting to include such capabilities. The current proposal for MPI fault tolerant is centered around the User-Level Failure Mitigation (ULFM) concept, which provides means for fault detection and recovery of the MPI layer. This approach does not address application-level recovery, which is currently left to application developers. In this work, we present a modification of some of the benchmarks of the NAS parallel benchmark (NPB) to include support of the ULFM capabilities as well as application-level strategies and mechanisms for application-level failure recovery. As such, we present: (i) an application-level library to "checkpoint" and restore data, (ii) extensions of NPB benchmarks for fault tolerance based on different strategies, (iii) a fault injection tool, and (iv) some preliminary results that show the impact of such fault tolerant strategies on the application execution. C1 [Parchman, Zachary W.; Scott, Stephen L.] Tennessee Technol Univ, Cookeville, TN 38505 USA. [Vallee, Geoffroy R.; Naughton, Thomas; Engelmann, Christian; Bernholdt, David] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Parchman, ZW (reprint author), Tennessee Technol Univ, Cookeville, TN 38505 USA. EM zwparchman@gmail.com; valleegr@ornl.gov; naughtont@ornl.gov; engelmannc@ornl.gov; bernholdtde@ornl.gov; sscott@tntech.edu NR 5 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-4349-7 PY 2016 BP 27 EP 34 DI 10.1145/2909428.2909434 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF6WA UT WOS:000383740400005 ER PT J AU Levy, S Ferreira, KB AF Levy, Scott Ferreira, Kurt B. GP ACM TI An Examination of the Impact of Failure Distribution on Coordinated Checkpoint/Restart SO PROCEEDINGS OF THE ACM WORKSHOP ON FAULT-TOLERANCE FOR HPC AT EXTREME SCALE (FTXS'16) LA English DT Proceedings Paper CT ACM Workshop on Fault-Tolerance for HPC at Extreme Scale (FTXS) CY MAY 31, 2016 CL Kyoto, JAPAN SP Assoc Comp Machinery, ACM SIGARCH, Univ Arizona ID PROTOCOLS; INTERVAL; SYSTEMS; SCALE AB Fault tolerance is a key challenge to building the first exascale system. To understand the potential impacts of failures on next-generation systems, significant effort has been devoted to collecting, characterizing and analyzing failures on current systems. These studies require large volumes of data and complex analysis. Because the occurrence of failures in large-scale systems is unpredictable, failures are commonly modeled as a stochastic process. Failure data from current systems is examined in an attempt to identify the underlying probability distribution and its statistical properties. In this paper, we use modeling to examine the impact of failure distributions on the time-to-solution and the optimal checkpoint interval of applications that use coordinated checkpoint/restart. Using this approach, we show that as failures become more frequent, the failure distribution has a larger influence on application performance. We also show that as failure times are less tightly grouped (i.e., as the standard deviation increases) the underlying probability distribution has a greater impact on application performance. Finally, we show that computing the checkpoint interval based on the assumption that failures are exponentially distributed has a modest impact on application performance even when failures are drawn from a different distribution. Our work provides critical analysis and guidance to the process of analyzing failure data in the context of coordinated checkpoint/restart. Specifically, the data presented in this paper helps to distinguish cases where the failure distribution has a strong influence on application performance from those cases when the failure distribution has relatively little impact. C1 [Levy, Scott] Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. [Ferreira, Kurt B.] Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA. RP Levy, S (reprint author), Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. EM slevy@cs.unm.edu; kbferre@sandia.gov NR 16 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-4349-7 PY 2016 BP 35 EP 42 DI 10.1145/2909428.2909430 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF6WA UT WOS:000383740400006 ER PT J AU Salloum, M Mayo, JR Armstrong, RC AF Salloum, Maher Mayo, Jackson R. Armstrong, Robert C. GP ACM TI In-Situ Mitigation of Silent Data Corruption in PDE Solvers SO PROCEEDINGS OF THE ACM WORKSHOP ON FAULT-TOLERANCE FOR HPC AT EXTREME SCALE (FTXS'16) LA English DT Proceedings Paper CT ACM Workshop on Fault-Tolerance for HPC at Extreme Scale (FTXS) CY MAY 31, 2016 CL Kyoto, JAPAN SP Assoc Comp Machinery, ACM SIGARCH, Univ Arizona DE Silent data corruption; resilience; algorithm-based fault tolerance; partial differential equation; numerical methods AB We present algorithmic techniques for parallel PDE solvers that leverage numerical smoothness properties of physics simulation to detect and correct silent data corruption within local computations. We initially model such silent hardware errors (which are of concern for extreme scale) via injected DRAM bit flips. Our mitigation approach generalizes previously developed "robust stencils" and uses modified linear algebra operations that spatially interpolate to replace large outlier values. Prototype implementations for 1D hyperbolic and 3D elliptic solvers, tested on up to 2048 cores, show that this error mitigation enables tolerating orders of magnitude higher bit-flip rates. The runtime overhead of the approach generally decreases with greater solver scale and complexity, becoming no more than a few percent in some cases. A key advantage is that silent data corruption can be handled transparently with data in cache, reducing the cost of false-positive detections compared to rollback approaches. C1 [Salloum, Maher; Mayo, Jackson R.; Armstrong, Robert C.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Salloum, M (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM mnsallo@sandia.gov; jmayo@sandia.gov; rob@sandia.gov NR 18 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-4503-4349-7 PY 2016 BP 43 EP 48 DI 10.1145/2909428.2909433 PG 6 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF6WA UT WOS:000383740400007 ER PT S AU Farfurnik, D Jarmola, A Pham, LM Wang, ZH Dobrovitski, VV Walsworth, RL Budker, D Bar-Gill, N AF Farfurnik, D. Jarmola, A. Pham, L. M. Wang, Z. H. Dobrovitski, V. V. Walsworth, R. L. Budker, D. Bar-Gill, N. BE Stuhler, J Shields, AJ TI Improving the coherence properties of solid-state spin ensembles via optimized dynamical decoupling SO QUANTUM OPTICS SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Quantum Optics CY APR 05-07, 2016 CL Brussels, BELGIUM SP SPIE, Brussels Photon Team, Res Fdn Flanders, Visit Brussels DE nitrogen vacancy; NV; coherence; decoherence; dynamical decoupling; concatenated; XY8; magnetometry ID ELECTRONIC SPIN; DIAMOND SPINS; RESOLUTION; SEQUENCES; CENTERS; TIME; BATH; NMR AB In this work, we optimize a dynamical decoupling (DD) protocol to improve the spin coherence properties of a dense ensemble of nitrogen-vacancy (NV) centers in diamond. Using liquid nitrogen-based cooling and DD microwave pulses, we increase the transverse coherence time T-2 from similar to 0.7 ms up to similar to 30 ms. We extend previous work of single-axis (Carr-Purcell-Meiboom-Gill) DD towards the preservation of arbitrary spin states. After performing a detailed analysis of pulse and detuning errors, we compare the performance of various DD protocols. We identify that the concatenated XY8 pulse sequences serves as the optimal control scheme for preserving an arbitrary spin state. Finally, we use the concatenated sequences to demonstrate an immediate improvement of the AC magnetic sensitivity up to a factor of two at 250 kHz. For future work, similar protocols may be used to increase coherence times up to NV-NV interaction time scales, a major step toward the creation of quantum collective NV spin states. C1 [Farfurnik, D.; Bar-Gill, N.] Hebrew Univ Jerusalem, Racah Inst Phys, IL-9190401 Jerusalem, Israel. [Farfurnik, D.; Bar-Gill, N.] Hebrew Univ Jerusalem, Ctr Nanosci & Nanotechnol, IL-9190401 Jerusalem, Israel. [Jarmola, A.; Budker, D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Pham, L. M.; Walsworth, R. L.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Wang, Z. H.] Univ Southern Calif, Dept Chem, Los Angeles, CA 90089 USA. [Dobrovitski, V. V.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Walsworth, R. L.] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Budker, D.] JGU, Helmholtz Inst, Mainz, Germany. [Bar-Gill, N.] Hebrew Univ Jerusalem, Dept Appl Phys, Rachel & Selim Sch Engn, IL-9190401 Jerusalem, Israel. RP Farfurnik, D (reprint author), Hebrew Univ Jerusalem, Racah Inst Phys, IL-9190401 Jerusalem, Israel.; Farfurnik, D (reprint author), Hebrew Univ Jerusalem, Ctr Nanosci & Nanotechnol, IL-9190401 Jerusalem, Israel. NR 39 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 978-1-5106-0145-1 J9 PROC SPIE PY 2016 VL 9900 AR 99000N DI 10.1117/12.2227479 PG 10 WC Optics; Physics, Applied SC Optics; Physics GA BF6KN UT WOS:000383224000010 ER PT S AU Glaeser, RM AF Glaeser, R. M. BE Crowther, RA TI Specimen Behavior in the Electron Beam SO RESOLUTION REVOLUTION: RECENT ADVANCES IN CRYOEM SE Methods in Enzymology LA English DT Review; Book Chapter ID ENERGY-LOSS SPECTROSCOPY; ONE CONDUCTING LAYER; RADIATION-DAMAGE; LOW-TEMPERATURE; BIOLOGICAL SPECIMENS; SENSITIVE SPECIMENS; IONIZING-RADIATION; CARBON-FILMS; THIN-FILMS; CRYO-EM AB It has long been known that cryo-EM specimens are severely damaged by a level of electron exposure that is much lower than what is needed to obtain high-resolution images from single macromolecules. Perhaps less well appreciated in the cryo-EM literature, the vitreous ice in which samples are suspended is equally sensitivity to radiation damage. This chapter provides a review of several fundamental topics such as inelastic scattering of electrons, radiation chemistry, and radiation biology, which-together-can help one to understand why radiation damage occurs so "easily." This chapter also addresses the issue of beam-induced motion that occurs at even lower levels of electron exposure. While specimen charging may be a contributor to this motion, it is argued that both radiation-induced relief of preexisting stress and damage-induced generation of additional stress may be the dominant causes of radiation-induced movement. C1 [Glaeser, R. M.] Univ Calif, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Glaeser, RM (reprint author), Univ Calif, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rmglaeser@lbl.gov NR 55 TC 1 Z9 1 U1 7 U2 7 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-805382-9 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2016 VL 579 BP 19 EP 50 DI 10.1016/bs.mie.2016.04.010 PG 32 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Microscopy SC Biochemistry & Molecular Biology; Microscopy GA BF6ZC UT WOS:000383854000003 PM 27572722 ER PT S AU Rodriguez, JA Gonen, T AF Rodriguez, J. A. Gonen, T. BE Crowther, RA TI High-Resolution Macromolecular Structure Determination by MicroED, a cryo-EM Method SO RESOLUTION REVOLUTION: RECENT ADVANCES IN CRYOEM SE Methods in Enzymology LA English DT Review; Book Chapter ID TRANSMISSION ELECTRON-MICROSCOPY; CRYOELECTRON MICROSCOPY; DIFFRACTION DATA; PURPLE MEMBRANE; DATA-COLLECTION; 3-DIMENSIONAL STRUCTURE; PROTEIN CRYSTALS; ENERGY FILTER; ATOMIC MODEL; CRYSTALLOGRAPHY AB Microelectron diffraction (MicroED) is a new cryo-electron microscopy (cryo-EM) method capable of determining macromolecular structures at atomic resolution from vanishingly small 3D crystals. MicroED promises to solve atomic resolution structures from even the tiniest of crystals, less than a few hundred nanometers thick. MicroED complements frontier advances in crystallography and represents part of the rebirth of cryo-EM that is making macromolecular structure determination more accessible for all. Here we review the concept and practice of MicroED, for both the electron microscopist and crystallographer. Where other reviews have addressed specific details of the technique (Hattne et al., 2015; Shi et al., 2016; Shi, Nannenga, Iadanza, & Gonen, 2013), we aim to provide context and highlight important features that should be considered when performing a MicroED experiment. C1 [Rodriguez, J. A.] Univ Calif Los Angeles, UCLA DOE Inst, Los Angeles, CA USA. [Gonen, T.] Howard Hughes Med Inst, Janelia Res Campus, Ashburn, VA 20147 USA. RP Gonen, T (reprint author), Howard Hughes Med Inst, Janelia Res Campus, Ashburn, VA 20147 USA. EM gonent@janelia.hhmi.org NR 73 TC 1 Z9 1 U1 4 U2 4 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-805382-9 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2016 VL 579 BP 369 EP 392 DI 10.1016/bs.mie.2016.04.017 PG 24 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Microscopy SC Biochemistry & Molecular Biology; Microscopy GA BF6ZC UT WOS:000383854000015 PM 27572734 ER PT J AU Naguib, M Saito, T Lai, S Rager, MS Aytug, T Paranthaman, MP Zhao, MQ Gogotsi, Y AF Naguib, Michael Saito, Tomonori Lai, Sophia Rager, Matthew S. Aytug, Tolga Paranthaman, M. Parans Zhao, Meng-Qiang Gogotsi, Yury TI Ti3C2Tx (MXene)-polyacrylamide nanocomposite films SO RSC ADVANCES LA English DT Article ID 2-DIMENSIONAL TITANIUM CARBIDE; HIGH VOLUMETRIC CAPACITANCE; TRANSITION-METAL CARBIDES; LITHIUM-ION BATTERIES; MXENE; CARBONITRIDES; INTERCALATION; DELAMINATION; ACRYLAMIDE; ELECTRODE AB Herein we report on the synthesis and characterization of MXene-polyacrylamide (PAM) nanocomposite films. Dimethylsulfoxide intercalation in-between the Ti3C2-based MXene layers led to full delamination of the MXene layers and hence a uniform dispersion of hydrophilic MXene nanosheets in aqueous PAM solutions was achieved. Polymer composite solutions of up to 75 wt% were synthesised. The as-prepared composite samples are flexible and the conductivity was increased significantly to 3.3 x 10 (2) S m (1) with only 6 wt% (1.7 vol%) MXene loading. C1 [Naguib, Michael] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Saito, Tomonori; Lai, Sophia; Rager, Matthew S.; Aytug, Tolga; Paranthaman, M. Parans] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Zhao, Meng-Qiang; Gogotsi, Yury] Drexel Univ, Dept Mat Sci & Engn, AJ Drexel Nanomat Inst, Philadelphia, PA 19104 USA. RP Naguib, M (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.; Saito, T; Paranthaman, MP (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM naguibma@ornl.gov; saitot@ornl.gov; paranthamanm@ornl.gov OI Naguib, Michael/0000-0002-4952-9023 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; ORNL's Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences 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 research was supported through a user proposal supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Synthesis of polymer composite research was supported (TS, SL, and MPP) by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. YG sabbatical stay at ORNL was sponsored by the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 38 TC 1 Z9 1 U1 36 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 2016 VL 6 IS 76 BP 72069 EP 72073 DI 10.1039/c6ra10384g PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA DT5HO UT WOS:000381513300029 ER PT J AU Whiteside, TS Hilal, SH Brenner, A Carreira, LA AF Whiteside, T. S. Hilal, S. H. Brenner, A. Carreira, L. A. TI Estimating the melting point, entropy of fusion, and enthalpy of fusion of organic compounds via SPARC SO SAR AND QSAR IN ENVIRONMENTAL RESEARCH LA English DT Article DE Entropy of fusion; enthalpy of fusion; melting point; organic compounds; SPARC ID THERMODYNAMIC PROPERTIES; PHASE-TRANSITIONS; N-PROPYL; AZOBENZENES; COEFFICIENT; PREDICTION; MOLECULES; SERIES; ACIDS AB The entropy of fusion, enthalpy of fusion, and melting point of organic compounds can be estimated through three models developed using the SPARC (SPARC Performs Automated Reasoning in Chemistry) platform. The entropy of fusion is modelled through a combination of interaction terms and physical descriptors. The enthalpy of fusion is modelled as a function of the entropy of fusion, boiling point, and flexibility of the molecule. The melting point model is the enthalpy of fusion divided by the entropy of fusion. These models were developed in part to improve SPARC's vapour pressure and solubility models. These models have been tested on 904 unique compounds. The entropy model has a RMS of 12.5 J mol(-1) K-1. The enthalpy model has a RMS of 4.87 kJ mol(-1). The melting point model has a RMS of 54.4 degrees C. C1 [Whiteside, T. S.] Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. [Hilal, S. H.] US EPA, Athens, GA USA. [Brenner, A.; Carreira, L. A.] Univ Georgia, Dept Chem, Athens, GA 30602 USA. RP Whiteside, TS (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. EM tad.whiteside@srnl.doe.gov FU United States Environmental Protection Agency through its Office of Research and Development FX The United States Environmental Protection Agency through its Office of Research and Development funded and managed the research described here. It has been subjected to Agency's administrative review and approved for publication. Mention of trade names or commercial products does not constitute endorsement or recommendation for use. NR 30 TC 0 Z9 0 U1 3 U2 4 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1062-936X EI 1029-046X J9 SAR QSAR ENVIRON RES JI SAR QSAR Environ. Res. PY 2016 VL 27 IS 8 BP 677 EP 701 DI 10.1080/1062936X.2016.1217270 PG 25 WC Chemistry, Multidisciplinary; Computer Science, Interdisciplinary Applications; Environmental Sciences; Mathematical & Computational Biology; Toxicology SC Chemistry; Computer Science; Environmental Sciences & Ecology; Mathematical & Computational Biology; Toxicology GA DW6NT UT WOS:000383768800005 PM 27586365 ER PT J AU Katipamula, S Lutes, R Hernandez, G Haack, J Akyol, B AF Katipamula, Srinivas Lutes, Robert Hernandez, George Haack, Jereme Akyol, Bora TI Transactional network: Improving efficiency and enabling grid services for buildings SO SCIENCE AND TECHNOLOGY FOR THE BUILT ENVIRONMENT LA English DT Article ID FAULT-DETECTION; PROGNOSTICS; DIAGNOSTICS; SYSTEMS AB Because of a need to reduce electricity consumption and to make electricity generation cleaner, there is an impetus to improve the energy efficiency of the building stock and widespread installation of distributed variable renewable energy generation. Soon, a significant fraction of transportation energy will be in the form of electricity. Significant gains in building operational efficiency are possible because between 20% and 30% of the energy consumed in commercial buildings is typically wasted because of poor or inefficient building operations. To address these problems, the U.S. Department of Energy's Building Technologies Office is supporting the development of the concept of a "transactional network" that supports energy, operational, and financial transactions between building systems (e.g., rooftop units), and the electric power grid using applications, or "agents,"that reside either on the equipment, on local building controllers, or in the Cloud. This article describes the transactional network concept, the platform, and two example agents/applications within VOLTTRON (TM) that improve operational efficiency and enable grid services for packaged air conditioners and heat pumps (rooftop units). It also describes the results from testing the concept at some demonstration sites. C1 [Katipamula, Srinivas; Lutes, Robert; Hernandez, George; Haack, Jereme; Akyol, Bora] Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. RP Katipamula, S (reprint author), Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM srinivas.katipamula@pnni.gov FU Buildings Technologies Office of the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy FX The authors would like to acknowledge the Buildings Technologies Office of the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy for supporting the research and development effort. NR 15 TC 0 Z9 0 U1 2 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2374-4731 EI 2374-474X J9 SCI TECHNOL BUILT EN JI Sci. Technol. Built Environ. PY 2016 VL 22 IS 6 BP 643 EP 654 DI 10.1080/23744731.2016.1171628 PG 12 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA DW8JO UT WOS:000383901500003 ER PT J AU Blum, DH Xu, N Norford, LK AF Blum, David H. Xu, Nora Norford, Leslie K. TI A novel multi-market optimization problem for commercial heating, ventilation, and air-conditioning systems providing ancillary services using multi-zone inverse comprehensive room transfer functions SO SCIENCE AND TECHNOLOGY FOR THE BUILT ENVIRONMENT LA English DT Article ID MODEL-PREDICTIVE CONTROL; FREQUENCY REGULATION; ENVIRONMENT; SIMULATION; BUILDINGS; ENERGY AB Electricity grids increasingly include demand response in not only the energy market, but also grid-stabilizing ancillary services markets. Commercial buildings can provide demand response through use of their heating, ventilating, and air-conditioning systems to access the buildings' thermal storage capacity. Within a model predictive control framework, commercial buildings can optimize demand response while respecting thermal comfort and system limits. In this article, a novel multi-market optimization problem that minimizes total operating costs, including energy costs, and separate revenues from regulation and reserve markets, is proposed. The 24-hour multi-zone and multi-market optimization problem is solved using a multi-zone inverse comprehensive room transfer function model of an 18-zone office building and accompanying variable air volume heating, ventilating, and air-conditioning system model. Optimal energy use, ancillary service provision, energy cost, and ancillary service revenues are reported for eight scenarios, which highlight the impact of ancillary service provision on optimal energy use and the effect of thermal mass on demand response provision. This work improves the operating capabilities of an individual building using model predictive control and can also be used to better understand demand-side resource potential for energy and ancillary services from a grid-planning perspective. C1 [Blum, David H.] Lawrence Berkeley Natl Lab, Simulat Res Grp, Bldg Technol & Urban Syst Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Xu, Nora] MIT, Inst Data Syst & Soc, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Norford, Leslie K.] MIT, Dept Architecture, 77 Massachusetts Ave, Cambridge, MA 02139 USA. RP Blum, DH (reprint author), Lawrence Berkeley Natl Lab, Simulat Res Grp, Bldg Technol & Urban Syst Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM dhblum@lbl.gov FU NSF EFRI Grant [1038230]; ASHRAE Graduate Student Grant-in-Aid award; Martin Family Society of Fellows for Sustainability; MIT Energy Initiative's Utility of the Future study FX This work was supported by NSF EFRI Grant 1038230, the ASHRAE Graduate Student Grant-in-Aid award, the Martin Family Society of Fellows for Sustainability, and the MIT Energy Initiative's Utility of the Future study. NR 31 TC 0 Z9 0 U1 2 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 2374-4731 EI 2374-474X J9 SCI TECHNOL BUILT EN JI Sci. Technol. Built Environ. PY 2016 VL 22 IS 6 BP 783 EP 797 DI 10.1080/23744731.2016.1197718 PG 15 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA DW8JO UT WOS:000383901500013 ER PT S AU Rochester, S Pustelny, S Szymanski, K Raizen, M Auzinsh, M Budker, D AF Rochester, Simon Pustelny, Szymon Szymanski, Konrad Raizen, Mark Auzinsh, Marcis Budker, Dmitry BE Shahriar, SM Scheuer, J TI Efficient polarization of high-angular-momentum systems SO SLOW LIGHT, FAST LIGHT, AND OPTO-ATOMIC PRECISION METROLOGY IX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Slow Light, Fast Light, and Opto-Atomic Precision Metrology IX CY FEB 15-18, 2016 CL San Francisco, CA SP SPIE ID ATOMS AB We present a novel technique of efficient optical pumping of open, high-angular-momentum systems. The method combines two well-established approaches of population manipulation (conventional optical pumping and coherent population transfer), offering the ability to achieve higher population of a sublevel with the highest or lowest quantum number m (the "end state") than obtainable with either of the techniques. To accomplish this task, we propose to use coherent-population-transfer technique (e.g., adiabatic fast passage) to arrange the system in such a way that spontaneously emitted photon (conventional optical pumping) carries away more entropy than in conventional schemes. This enables reduction of a number of spontaneous decays N-sd required to pump the system with the total angular momentum J from N-sd = J decays in the conventional scheme to N-sd less than or similar to log(2) (2J) decays in the proposed scheme. Since each spontaneous-emission event is potentially burdened with a loss of population (population is transferred to a dark state), this enables increasing population accumulated in the "end state", which is important for many applications. C1 [Rochester, Simon] Rochester Sci LLC, El Cerrito, CA 94530 USA. [Pustelny, Szymon; Szymanski, Konrad] Uniwersytet Jagiellonski, Inst Fizyki, Ul Lojasiewicza 11, PL-30348 Krakow, Poland. [Raizen, Mark] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Auzinsh, Marcis] Univ Latvia, Ctr Laser, Rainis Blvd 19, LV-1586 Riga, Latvia. [Budker, Dmitry] Johannes Gutenberg Univ Mainz, Helmholtz Inst, D-55099 Mainz, Germany. [Budker, Dmitry] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Budker, Dmitry] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Budker, D (reprint author), Johannes Gutenberg Univ Mainz, Helmholtz Inst, D-55099 Mainz, Germany.; Budker, D (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Budker, D (reprint author), Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. EM dbudker@gmail.com NR 19 TC 1 Z9 1 U1 3 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 978-1-62841-998-6 J9 PROC SPIE PY 2016 VL 9763 AR UNSP 97630D DI 10.1117/12.2220208 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA BF6LA UT WOS:000383236400005 ER PT J AU Motokawa, R Endo, H Nagao, M Heller, WT AF Motokawa, Ryuhei Endo, Hitoshi Nagao, Michihiro Heller, William T. TI Neutron Polarization Analysis for Biphasic Solvent Extraction Systems SO SOLVENT EXTRACTION AND ION EXCHANGE LA English DT Article DE Neutron polarization analysis; solvent extraction; tri-n-butyl phosphate ID N-DODECANE; Q-RANGE; X-RAY; SCATTERING; SANS; VISUALIZATION; MIXTURES; SPHERES; OCTANE; WATER AB We performed neutron polarization analysis (NPA) of extracted organic phases containing complexes, comprised of Zr(NO3)(4) and tri-n-butyl phosphate, which enabled decomposition of the intensity distribution of small-angle neutron scattering (SANS) into the coherent and incoherent scattering components. The coherent scattering intensity, containing structural information, and the incoherent scattering compete over a wide range of magnitude of scattering vector, q, specifically when q is larger than q* approximate to 1/R-g, where R-g is the radius of gyration of scatterer. Therefore, it is important to determine the incoherent scattering intensity exactly to perform an accurate structural analysis from SANS data when R-g is small, such as the aforementioned extracted coordination species. Although NPA is the best method for evaluating the incoherent scattering component for accurately determining the coherent scattering in SANS, this method is not used frequently in SANS data analysis because it is technically challenging. In this study, we successfully demonstrated that experimental determination of the incoherent scattering using NPA is suitable for sample systems containing a small scatterer with a weak coherent scattering intensity, such as extracted complexes in biphasic solvent extraction systems. C1 [Motokawa, Ryuhei] Japan Atom Energy Agcy, Mat Sci Res Ctr, 2-4 Shirakata, Tokai, Ibaraki 3191195, Japan. [Endo, Hitoshi] High Energy Accelerator Res Org, Inst Mat Sci, Div Neutron Sci, Ibaraki, Japan. [Endo, Hitoshi] Grad Univ Adv Studies SOKENDAI, Dept Mat Struct Sci, Ibaraki, Japan. [Nagao, Michihiro] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Nagao, Michihiro] Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN USA. [Heller, William T.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. RP Motokawa, R (reprint author), Japan Atom Energy Agcy, Mat Sci Res Ctr, 2-4 Shirakata, Tokai, Ibaraki 3191195, Japan. EM motokawa.ryuhei@jaea.go.jp RI Motokawa, Ryuhei/J-5674-2016; OI Motokawa, Ryuhei/0000-0001-5010-0112; Heller, William/0000-0001-6456-2975 FU Ministry of Education, Culture, Sports, Science and Technology, Japan [26289368]; National Science Foundation [DMR-1508249]; National Institute of Standards and Technology (NIST), U.S. Department of Commerce [70NANB10H255] FX This work was supported in part by the Ministry of Education, Culture, Sports, Science and Technology, Japan (Grant-in-Aid for Scientific Research B, 2014-2018, No. 26289368). The neutron scattering experiments at the SNS, Oak Ridge National Laboratory, were performed with the approval of the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. This work utilized facilities supported in part by the National Science Foundation under Agreement No. DMR-1508249. M.N. acknowledges funding support of cooperative agreement No. 70NANB10H255 from the National Institute of Standards and Technology (NIST), U.S. Department of Commerce. NR 26 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0736-6299 EI 1532-2262 J9 SOLVENT EXTR ION EXC JI Solvent Extr. Ion Exch. PY 2016 VL 34 IS 5 BP 399 EP 406 DI 10.1080/07366299.2016.1201980 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA DW8IW UT WOS:000383899500001 ER PT J AU Roscioli-Johnson, KM Zarzana, CA Groenewold, GS Mincher, BJ Wilden, A Schmidt, H Modolo, G Santiago-Schubel, B AF Roscioli-Johnson, Kristyn M. Zarzana, Christopher A. Groenewold, Gary S. Mincher, Bruce J. Wilden, Andreas Schmidt, Holger Modolo, Giuseppe Santiago-Schuebel, Beatrix TI A Study of the -Radiolysis of N,N-Didodecyl-N,N-Dioctyldiglycolamide Using UHPLC-ESI-MS Analysis SO SOLVENT EXTRACTION AND ION EXCHANGE LA English DT Article DE Diglycolamide; UHPLC-MS; radiolysis; D3DODGA; radiation chemistry ID MINOR ACTINIDES; EXTRACTION CAPACITY; RADIATION-CHEMISTRY; SOLVENT-EXTRACTION; GAMMA-RADIOLYSIS; FISSION-PRODUCTS; PUREX RAFFINATE; NITRIC-ACID; N-DODECANE; DIGLYCOLAMIDE AB Solutions of N,N-didodecyl-N,N-dioctyldiglycolamide in n-dodecane were subjected to -irradiation in the presence and absence of both an aqueous nitric acid phase and air sparging. The solutions were analyzed using ultra-high-performance liquid chromatography-electrospray ionization-mass spectrometry (UHPLC-ESI-MS) to determine the rates of radiolytic decay of the extractant as well as to identify radiolysis products. The DGA concentration decreased exponentially with increasing dose, and the measured degradation rate constants were uninfluenced by the presence or absence of acidic aqueous phase, or by air sparging. The identified radiolysis products suggest that the bonds most vulnerable to radiolytic attack are those in the diglycolamide center of these molecules and not in the side chains. C1 [Roscioli-Johnson, Kristyn M.; Zarzana, Christopher A.; Groenewold, Gary S.; Mincher, Bruce J.] Idaho Natl Lab, 775 Univ Blvd, Idaho Falls, ID 83415 USA. [Wilden, Andreas; Schmidt, Holger; Modolo, Giuseppe] Forschungszentrum Julich, Inst Energie & Klimaforsch Nukl Entsorgung & Reak, Julich, Germany. [Santiago-Schuebel, Beatrix] Forschungszentrum Julich, Zent Inst Engn Elekt & Analyt ZEA 3, Julich, Germany. RP Zarzana, CA (reprint author), Idaho Natl Lab, 775 Univ Blvd, Idaho Falls, ID 83415 USA. EM christopher.zarzana@inl.gov RI Mincher, Bruce/C-7758-2017 FU US Department of Energy (US-DOE), Office of Nuclear Energy under Fuel Cycle R&D Program, Idaho Operations Office [DE-AC07-05ID14517]; European Commission (SACSESS) [FP7-Fission-2012-323-282] FX The gamma irradiation and UHPLC-ESI-MS experiments performed at Idaho National Laboratory were supported by the US Department of Energy (US-DOE), Office of Nuclear Energy, under the Fuel Cycle R&D Program, Idaho Operations Office Contract DE-AC07-05ID14517. Additional financial support for this research was provided by the European Commission (projects SACSESS - contract number FP7-Fission-2012-323-282). NR 34 TC 0 Z9 0 U1 2 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0736-6299 EI 1532-2262 J9 SOLVENT EXTR ION EXC JI Solvent Extr. Ion Exch. PY 2016 VL 34 IS 5 BP 439 EP 453 DI 10.1080/07366299.2016.1212540 PG 15 WC Chemistry, Multidisciplinary SC Chemistry GA DW8IW UT WOS:000383899500004 ER PT S AU Goswami, A Tian, Y Schwan, K Zheng, F Young, J Wolf, M Eisenhauer, G Klasky, S AF Goswami, Anshuman Tian, Yuan Schwan, Karsten Zheng, Fang Young, Jeffrey Wolf, Matthew Eisenhauer, Greg Klasky, Scott GP IEEE TI Landrush : Rethinking in-situ analysis for GPGPU workflows SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp AB In-situ analysis on the output data of scientific simulations has been made necessary by ever-growing output data volumes and increasing costs of data movement as supercomputing is moving towards exascale. With hardware accelerators like GPUs becoming increasingly common in high end machines, new opportunities arise to co-locate scientific simulations and online analysis performed on the scientific data generated by the simulations. However, the asynchronous nature of GPGPU programming models and the limited context-switching capabilities on the GPU pose challenges to co-locating the scientific simulation and analysis on the same GPU. This paper dives deeper into these challenges to understand how best to co-locate analysis with scientific simulations on the GPUs in HPC clusters. Specifically, our 'Landrush' approach to GPU sharing proposes a solution that utilizes idle cycles on the GPU to provide an improved time-to-answer; that is, the total time to run the scientific simulation and analysis of the generated data. Landrush is demonstrated with experimental results obtained from leadership high-end applications on ORNL's Titan supercomputer, which show that (i) GPU-based scientific simulations have varying degrees of idle cycles to afford useful analysis task co-location, and (ii) the inability to context switch on the GPU at instruction granularity can be overcome by careful control of the analysis kernel launches and software-controlled early completion of analysis kernel executions. Results show that Landrush is superior in terms of time-to-answer compared to serially running simulations followed by analysis or by relying on the GPU driver and hardwired thread dispatcher to run analysis concurrently on a single GPU. C1 [Goswami, Anshuman; Schwan, Karsten; Young, Jeffrey; Wolf, Matthew; Eisenhauer, Greg] Georgia Inst Technol, Atlanta, GA 30332 USA. [Tian, Yuan; Klasky, Scott] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Zheng, Fang] IBM Res Corp, Yorktown Hts, NY USA. RP Goswami, A (reprint author), Georgia Inst Technol, Atlanta, GA 30332 USA. NR 39 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 32 EP 41 DI 10.1109/CCGrid.2016.58 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800004 ER PT S AU Mondragon, OH Bridges, PG Levy, S Ferreira, KB Widener, P AF Mondragon, Oscar H. Bridges, Patrick G. Levy, Scott Ferreira, Kurt B. Widener, Patrick GP IEEE TI Scheduling In-Situ Analytics in Next-generation Applications SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp DE Exascale applications; composed applications; in-situ; resource sharing; performance interference AB Next-generation applications increasingly rely on in situ analytics to guide computation, reduce the amount of I/O performed, and perform other important tasks. Scheduling where and when to run analytics is challenging, however. This paper quantifies the costs and benefits of different approaches to scheduling applications and analytics on nodes in large-scale applications, including space sharing, uncoordinated time sharing, and gang scheduled time sharing. C1 [Mondragon, Oscar H.; Bridges, Patrick G.; Levy, Scott] Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. [Ferreira, Kurt B.; Widener, Patrick] Sandia Natl Labs, Ctr Res Comp, Livermore, CA 94550 USA. RP Mondragon, OH (reprint author), Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. EM omondrag@cs.unm.edu; bridges@cs.unm.edu; slevy@cs.unm.edu; kbferre@sandia.gov; pwidene@sandia.gov NR 18 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 102 EP 105 DI 10.1109/CCGrid.2016.42 PG 4 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800013 ER PT S AU Zhang, WZ Tang, HJ Harenberg, S Byna, S Zou, XC Devendran, D Martin, DF Wu, KS Dong, B Klasky, S Samatova, NF AF Zhang, Wenzhao Tang, Houjun Harenberg, Steve Byna, Surendra Zou, Xiaocheng Devendran, Dharshi Martin, Daniel F. Wu, Kesheng Dong, Bin Klasky, Scott Samatova, Nagiza F. GP IEEE TI AMRZone: A Runtime AMR Data Sharing Framework For Scientific Applications SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp ID ADAPTIVE MESH REFINEMENT; EQUATIONS AB Frameworks that facilitate runtime data sharing across multiple applications are of great importance for scientific data analytics. Although existing frameworks work well over uniform mesh data, they can not effectively handle adaptive mesh refinement (AMR) data. Among the challenges to construct an AMR-capable framework include: (1) designing an architecture that facilitates online AMR data management; (2) achieving a load-balanced AMR data distribution for the data staging space at runtime; and (3) building an effective online index to support the unique spatial data retrieval requirements for AMR data. Towards addressing these challenges to support runtime AMR data sharing across scientific applications, we present the AMRZone framework. Experiments over real-world AMR datasets demonstrate AMRZone's effectiveness at achieving a balanced workload distribution, reading/writing large-scale datasets with thousands of parallel processes, and satisfying queries with spatial constraints. Moreover, AMRZone's performance and scalability are even comparable with existing state-of-the-art work when tested over uniform mesh data with up to 16384 cores; in the best case, our framework achieves a 46% performance improvement. C1 [Zhang, Wenzhao; Tang, Houjun; Harenberg, Steve; Zou, Xiaocheng; Samatova, Nagiza F.] North Carolina State Univ, Raleigh, NC 27695 USA. [Byna, Surendra; Devendran, Dharshi; Martin, Daniel F.; Wu, Kesheng; Dong, Bin] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zhang, Wenzhao; Tang, Houjun; Harenberg, Steve; Zou, Xiaocheng; Klasky, Scott; Samatova, Nagiza F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Samatova, NF (reprint author), North Carolina State Univ, Raleigh, NC 27695 USA.; Samatova, NF (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM samatova@csc.ncsu.edu NR 29 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 116 EP 125 DI 10.1109/CCGrid.2016.62 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800015 ER PT S AU Hendrix, V Fox, J Ghoshal, D Ramakrishnan, L AF Hendrix, Valerie Fox, James Ghoshal, Devarshi Ramakrishnan, Lavanya GP IEEE TI Tigres Workflow Library: Supporting Scientific Pipelines on HPC systems SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp AB The growth in scientific data volumes has resulted in the need for new tools that enable users to operate on and analyze data on large-scale resources. In the last decade, a number of scientific workflow tools have emerged. These tools often target distributed environments, and often need expert help to compose and execute the workflows. Data-intensive workflows are often ad-hoc; they involve an iterative development process that includes users composing and testing their workflows on desktops, and scaling up to larger systems. In this paper, we present the design and implementation of Tigres, a workflow library that supports the iterative workflow development cycle of data-intensive workflows. Tigres provides an application programming interface to a set of programming templates i.e., sequence, parallel, split, merge, that can be used to compose and execute computational and data pipelines. We discuss the results of our evaluation of scientific and synthetic workflows showing Tigres performs with minimal template overheads (mean of 13 seconds over all experiments). We also discuss various factors (e.g., I/O performance, execution mechansims) that affect the performance of scientific workflows on HPC systems. C1 [Hendrix, Valerie; Fox, James; Ghoshal, Devarshi; Ramakrishnan, Lavanya] Lawrence Berkeley Natl Lab Berkeley, Berkeley, CA 94720 USA. RP Hendrix, V (reprint author), Lawrence Berkeley Natl Lab Berkeley, Berkeley, CA 94720 USA. EM vchendrix@lbl.gov; jsfox@lbl.gov; dghoshal@lbl.gov; lramakrishnan@lbl.gov NR 24 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 146 EP 155 DI 10.1109/CCGrid.2016.54 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800018 ER PT S AU Chard, R Chard, K Ng, B Bubendorfer, K Rodriguez, A Madduri, R Foster, I AF Chard, Ryan Chard, Kyle Ng, Bryan Bubendorfer, Kris Rodriguez, Alex Madduri, Ravi Foster, Ian GP IEEE TI An Automated Tool Profiling Service for the Cloud SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp ID READ ALIGNMENT AB Cloud providers offer a diverse set of instance types with varying resource capacities, designed to meet the needs of a broad range of user requirements. While this flexibility is a major benefit of the cloud computing model, it also creates challenges when selecting the most suitable instance type for a given application. Sub-optimal instance selection can result in poor performance and/or increased cost, with significant impacts when applications are executed repeatedly. Yet selecting an optimal instance type is challenging, as each instance type can be configured differently; application performance is dependent on input data and configuration; and instance types and applications are frequently updated. We present a service that supports automatic profiling of application performance on different instance types to create rich application profiles that can be used for comparison, provisioning, and scheduling. This service can dynamically provision cloud instances, automatically deploy and contextualize applications, transfer input datasets, monitor execution performance, and create a composite profile with fine grained resource usage information. We use real usage data from four production genomics gateways and estimate the use of profiles in autonomic provisioning systems can decrease execution time by up to 15.7% and cost by up to 86.6%. C1 [Chard, Ryan; Ng, Bryan; Bubendorfer, Kris] Victoria Univ Wellington, Sch Engn & Comp Sci, Wellington, New Zealand. [Chard, Kyle; Rodriguez, Alex; Madduri, Ravi; Foster, Ian] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Chard, Kyle; Rodriguez, Alex; Madduri, Ravi; Foster, Ian] Argonne Natl Lab, Argonne, IL 60439 USA. RP Chard, R (reprint author), Victoria Univ Wellington, Sch Engn & Comp Sci, Wellington, New Zealand. NR 33 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 223 EP 232 DI 10.1109/CCGrid.2016.57 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800029 ER PT S AU Adhinarayanan, V Subramaniam, B Feng, WC AF Adhinarayanan, Vignesh Subramaniam, Balaji Feng, Wu-chun GP IEEE TI Online Power Estimation of Graphics Processing Units SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp ID MODEL AB Accurate power estimation at runtime is essential for the efficient functioning of a power management system. While years of research have yielded accurate power models for the online prediction of instantaneous power for CPUs, such power models for graphics processing units (GPUs) are lacking. GPUs rely on low-resolution power meters that only nominally support basic power management. To address this, we propose an instantaneous power model, and in turn, a power estimator, that uses performance counters in a novel way so as to deliver accurate power estimation at runtime. Our power estimator runs on two real NVIDIA GPUs to show that accurate runtime estimation is possible without the need for the high-fidelity details that are assumed on simulation-based power models. To construct our power model, we first use correlation analysis to identify a concise set of performance counters that work well despite GPU device limitations. Next, we explore several statistical regression techniques and identify the best one. Then, to improve the prediction accuracy, we propose a novel application-dependent modeling technique, where the model is constructed online at runtime, based on the readings from a low-resolution, built-in GPU power meter. Our quantitative results show that a multi-linear model, which produces a mean absolute error of 6%, works the best in practice. An application-specific quadratic model reduces the error to nearly 1%. We show that this model can be constructed with low overhead and high accuracy at runtime. To the best of our knowledge, this is the first work attempting to model the instantaneous power of a real GPU system; earlier related work focused on average power. C1 [Adhinarayanan, Vignesh; Feng, Wu-chun] Virginia Tech, Dept Comp Sci, Blacksburg, VA 24061 USA. [Subramaniam, Balaji] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Adhinarayanan, V (reprint author), Virginia Tech, Dept Comp Sci, Blacksburg, VA 24061 USA. EM avignesh@vt.edu; balajis@mcs.anl.gov; wfeng@vt.edu NR 33 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 245 EP 254 DI 10.1109/CCGrid.2016.93 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800031 ER PT S AU Duro, FR Blas, JG Isaila, F Wozniak, JM Carretero, J Ross, R AF Rodrigo Duro, Francisco Garcia Blas, Javier Isaila, Florin Wozniak, Justin M. Carretero, Jesus Ross, Rob GP IEEE TI Flexible Data-Aware Scheduling for Workflows over an In-Memory Object Store SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp DE scientific workflows; file systems; data locality; load balance; high performance AB This paper explores novel techniques for improving the performance of many-task workflows based on the Swift scripting language. We propose novel programmer options for automated distributed data placement and task scheduling. These options trigger a data placement mechanism used for distributing intermediate workflow data over the servers of Hercules, a distributed key-value store that can be used to cache file system data. We demonstrate that these new mechanisms can significantly improve the aggregated throughput of many-task workflows with up to 86x, reduce the contention on the shared file system, exploit the data locality, and trade off locality and load balance. C1 [Rodrigo Duro, Francisco; Garcia Blas, Javier; Isaila, Florin; Carretero, Jesus] Univ Carlos III Madrid, Madrid, Spain. [Wozniak, Justin M.; Ross, Rob] Argonne Natl Lab, Lemont, IL USA. RP Duro, FR (reprint author), Univ Carlos III Madrid, Madrid, Spain. EM frodrigo@arcos.inf.uc3m.es; fjblas@arcos.inf.uc3m.es; florin@arcos.inf.uc3m.es; wozniak@mcs.anl.gov; jcarrete@arcos.inf.uc3m.es; rross@mcs.anl.gov NR 9 TC 3 Z9 3 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 321 EP 324 DI 10.1109/CCGrid.2016.40 PG 4 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800041 ER PT S AU Isaila, F Carretero, J Ross, R AF Isaila, Florin Carretero, Jesus Ross, Rob GP IEEE TI CLARISSE: a middleware for data-staging coordination and control on large-scale HPC platforms SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp DE HPC; storage; data staging; parallel I/O; collective I/O; I/O scheduling AB On current large-scale HPC platforms the data path from compute nodes to final storage passes through several networks interconnecting a distributed hierarchy of nodes serving as compute nodes, I/O nodes, and file system servers. Although applications compete for resources at various system levels, the current system software offers no mechanisms for globally coordinating the data flow for attaining optimal resource usage and for reacting to overload or interference. In this paper we describe CLARISSE, a middleware designed to enhance data-staging coordination and control in the HPC software storage I/O stack. CLARISSE exposes the parallel data flows to a higher-level hierarchy of controllers, thereby opening up the possibility of developing novel cross-layer optimizations, based on the run-time information. To the best of our knowledge, CLARISSE is the first middleware that decouples the policy, control, and data layers of the software I/O stack in order to simplify the task of globally coordinating the data staging on large-scale HPC platforms. To demonstrate how CLARISSE can be used for performance enhancement, we present two case studies: an elastic load-aware collective I/O and a cross-application parallel I/O scheduling policy. The evaluation illustrates how coordination can bring a significant performance benefit with low overheads by adapting to load conditions and interference. C1 [Isaila, Florin; Carretero, Jesus] Univ Carlos III, Madrid, Spain. [Ross, Rob] Argonne Natl Lab, Argonne, IL 60439 USA. RP Isaila, F (reprint author), Univ Carlos III, Madrid, Spain. EM fisaila@inf.uc3m.es; jcarrete@inf.uc3m.es; rross@mcs.anl.gov NR 28 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 346 EP 355 DI 10.1109/CCGrid.2016.24 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800046 ER PT S AU Tang, HJ Byna, S Harenberg, S Zou, XC Zhang, WZ Wu, KS Dong, B Rubel, O Bouchard, K Klasky, S Samatova, NF AF Tang, Houjun Byna, Suren Harenberg, Steve Zou, Xiaocheng Zhang, Wenzhao Wu, Kesheng Dong, Bin Rubel, Oliver Bouchard, Kristofer Klasky, Scott Samatova, Nagiza F. GP IEEE TI Usage Pattern-Driven Dynamic Data Layout Reorganization SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp AB As scientific simulations and experiments move toward extremely large scales and generate massive amounts of data, the data access performance of analytic applications becomes crucial. A mismatch often happens between write and read patterns of data accesses, typically resulting in poor read performance. Data layout reorganization has been used to improve the locality of data accesses. However, current data reorganizations are static and focus on generating a single (or set of) optimized layouts that rely on prior knowledge of exact future access patterns. We propose a framework that dynamically recognizes the data usage patterns, replicates the data of interest in multiple reorganized layouts that would benefit common read patterns, and makes runtime decisions on selecting a favorable layout for a given read pattern. This framework supports reading individual elements and chunks of a multi-dimensional array of variables. Our pattern-driven layout selection strategy achieves multi-fold speedups compared to reading from the original dataset. C1 [Tang, Houjun; Harenberg, Steve; Zou, Xiaocheng; Zhang, Wenzhao; Samatova, Nagiza F.] North Carolina State Univ, Raleigh, NC 27695 USA. [Byna, Suren; Wu, Kesheng; Dong, Bin; Rubel, Oliver; Bouchard, Kristofer] Lawrence Berkeley Lab, Berkeley, CA USA. [Tang, Houjun; Harenberg, Steve; Zou, Xiaocheng; Zhang, Wenzhao; Klasky, Scott; Samatova, Nagiza F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Samatova, NF (reprint author), North Carolina State Univ, Raleigh, NC 27695 USA.; Samatova, NF (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM samatova@csc.ncsu.edu NR 27 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 356 EP 365 DI 10.1109/CCGrid.2016.15 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800047 ER PT S AU Wu, TH Shyng, H Chou, J Dong, B Wu, KS AF Wu, Tzuhsien Shyng, Hao Chou, Jerry Dong, Bin Wu, Kesheng GP IEEE TI Indexing Blocks to Reduce Space and Time Requirements for Searching Large Data Files SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp DE Scientific data; Block Index and query; Parallel I/O AB Scientific discoveries are increasingly relying on analysis of massive amounts of data generated from scientific experiments, observations, and simulations. The ability to directly access the most relevant data records, without shifting through all of them becomes essential. While many indexing techniques have been developed to quickly locate the selected data records, the time and space required for building and storing these indexes are often too expensive to meet the demands of in situ or real-time data analysis. Existing indexing methods generally capture information about each individual data record, however, when reading a data record, the I/O system typically has to access a block or a page of data. In this work, we postulate that indexing blocks instead of individual data records could significantly reduce index size and index building time without increasing the I/O time for accessing the selected data records. Our experiments using multiple real datasets on a supercomputer show that block index can reduce query time by a factor of 2 to 50 over other existing methods, including SciDB and FastQuery. But the size of block index is almost negligible comparing to the data size, and the time of building index can reach the peak I/O speed. C1 [Wu, Tzuhsien; Shyng, Hao; Chou, Jerry] Natl Tsing Hua Univ, Dept Comp Sci, Hsinchu 30013, Taiwan. [Dong, Bin; Wu, Kesheng] Lawrence Berkeley Natl Lab, Sci Data Management Grp, Berkeley, CA USA. RP Chou, J (reprint author), Natl Tsing Hua Univ, Dept Comp Sci, Hsinchu 30013, Taiwan. EM jchou@lsalab.cs.nthu.edu.tw NR 21 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 398 EP 402 DI 10.1109/CCGrid.2016.18 PG 5 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800051 ER PT S AU Subasi, O Di, S Bautista-Gomez, L Balaprakash, P Unsal, O Labarta, J Cristal, A Cappello, F AF Subasi, Omer Di, Sheng Bautista-Gomez, Leonardo Balaprakash, Prasanna Unsal, Osman Labarta, Jesus Cristal, Adrian Cappello, Franck GP IEEE TI Spatial Support Vector Regression to Detect Silent Errors in the Exascale Era SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp AB As the exascale era approaches, the increasing capacity of high-performance computing (HPC) systems with targeted power and energy budget goals introduces significant challenges in reliability. Silent data corruptions (SDCs) or silent errors are one of the major sources that corrupt the execution results of HPC applications without being detected. In this work, we explore a low-memory-overhead SDC detector, by leveraging epsilon-insensitive support vector machine regression, to detect SDCs that occur in HPC applications that can be characterized by an impact error bound. The key contributions are three fold. (1) Our design takes spatial features (i.e., neighbouring data values for each data point in a snapshot) into training data, such that little memory overhead (less than 1%) is introduced. (2) We provide an in-depth study on the detection ability and performance with different parameters, and we optimize the detection range carefully. (3) Experiments with eight real-world HPC applications show that our detector can achieve the detection sensitivity (i.e., recall) up to 99% yet suffer a less than 1% of false positive rate for most cases. Our detector incurs low performance overhead, 5% on average, for all benchmarks studied in the paper. Compared with other state-of-the-art techniques, our detector exhibits the best tradeoff considering the detection ability and overheads. C1 [Subasi, Omer; Unsal, Osman; Labarta, Jesus; Cristal, Adrian] Barcelona Supercomp Ctr, Barcelona, Spain. [Subasi, Omer; Labarta, Jesus; Cristal, Adrian] Univ Politecn Cataluna, Barcelona, Spain. [Di, Sheng; Bautista-Gomez, Leonardo; Balaprakash, Prasanna; Cappello, Franck] Argonne Natl Lab, Lemont, IL USA. [Cristal, Adrian] Spanish Natl Res Council, CSIC, Artificial Intelligence Res Inst, IIIA, Madrid, Spain. RP Subasi, O (reprint author), Barcelona Supercomp Ctr, Barcelona, Spain.; Subasi, O (reprint author), Univ Politecn Cataluna, Barcelona, Spain. EM omer.subasi@bsc.es; sdi1@anl.gov; leobago@anl.gov; pbalapra@anl.gov; osman.unsal@bsc.es; jesus.labarta@bsc.es; adrian.cristal@bsc.es; cappello@anl.gov RI LABARTA, JESUS/G-5256-2015 OI LABARTA, JESUS/0000-0002-7489-4727 NR 35 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 413 EP 424 DI 10.1109/CCGrid.2016.33 PG 12 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800054 ER PT S AU Rodrigo, GP Ostberg, PO Elmroth, E Antypas, K Gerber, R Ramakrishnan, L AF Rodrigo, Gonzalo P. Ostberg, Per-Olov Elmroth, Erik Antypas, Katie Gerber, Richard Ramakrishnan, Lavanya GP IEEE TI Towards Understanding Job Heterogeneity in HPC: A NERSC Case Study SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp AB The high performance computing (HPC) scheduling landscape is changing. Increasingly, there are large scientific computations that include high-throughput, data-intensive, and stream-processing compute models. These jobs increase the workload heterogeneity, which presents challenges for classical tightly coupled MPI job oriented HPC schedulers. Thus, it is important to define new analyses methods to understand the heterogeneity of the workload, and its possible effect on the performance of current systems. In this paper, we present a methodology to assess the job heterogeneity in workloads and scheduling queues. We apply the method on the workloads of three current National Energy Research Scientific Computing Center (NERSC) systems in 2014. Finally, we present the results of such analysis, with an observation that heterogeneity might reduce predictability in the jobs' wait time. C1 [Rodrigo, Gonzalo P.; Ostberg, Per-Olov; Elmroth, Erik] Umea Univ, Dept Comp Sci, SE-90187 Umea, Sweden. [Antypas, Katie; Gerber, Richard; Ramakrishnan, Lavanya] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Rodrigo, GP (reprint author), Umea Univ, Dept Comp Sci, SE-90187 Umea, Sweden. EM gonzalo@cs.umu.se; p-o@cs.umu.se; elmroth@cs.umu.se; kantypas@lbl.gov; ragerber@lbl.gov; lramakrishnan@lbl.gov NR 14 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 521 EP 526 DI 10.1109/CCGrid.2016.32 PG 6 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800067 ER PT S AU Dosanjh, MGF Groves, T Grant, RE Brightwell, R Bridges, PG AF Dosanjh, Matthew G. F. Groves, Taylor Grant, Ryan E. Brightwell, Ron Bridges, Patrick G. GP IEEE TI RMA-MT: A Benchmark Suite for Assessing MPI Multi-threaded RMA Performance SO 2016 16TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID) SE IEEE-ACM International Symposium on Cluster Cloud and Grid Computing LA English DT Proceedings Paper CT 16th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid) CY MAY 16-19, 2016 CL Cartagena, COLOMBIA SP IEEE, Assoc Comp Machinery, Univ Ios Andes, Univ Ind Santander, Rensselaer, IEEE Comp Soc Tech Comm Scalable Comp AB Reaching Exascale will require leveraging massive parallelism while potentially leveraging asynchronous communication to help achieve scalability at such large levels of concurrency. MPI is a good candidate for providing the mechanisms to support communication at such large scales. Two existing MPI mechanisms are particularly relevant to Exascale: multi-threading, to support massive concurrency, and Remote Memory Access (RMA), to support asynchronous communication. Unfortunately, multi-threaded MPI RMA code has not been extensively studied. Part of the reason for this is that no public benchmarks or proxy applications exist to assess its performance. The contributions of this paper are the design and demonstration of the first available proxy applications and micro-benchmark suite for multi-threaded RMA in MPI, a study of multi-threaded RMA performance of different MPI implementations, and an evaluation of how these benchmarks can be used to test development for both performance and correctness. C1 [Dosanjh, Matthew G. F.; Groves, Taylor; Grant, Ryan E.; Brightwell, Ron] Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA. [Bridges, Patrick G.] Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. RP Dosanjh, MGF (reprint author), Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA. EM mdosanj@sandia.gov; tgroves@sandia.gov; regrant@sandia.gov; rbbrigh@sandia.gov; bridges@cs.unm.edu NR 14 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2376-4414 BN 978-1-5090-2453-7 J9 IEEE ACM INT SYMP PY 2016 BP 550 EP 559 DI 10.1109/CCGrid.2016.84 PG 10 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5RK UT WOS:000382529800072 ER PT J AU Kirkham, H AF Kirkham, H. GP IEEE TI The Measurand: The Problem of Frequency SO 2016 IEEE INTERNATIONAL INSTRUMENTATION AND MEASUREMENT TECHNOLOGY CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT IEEE International Instrumentation and Measurement Technology Conference (I2MTC) CY MAY 23-26, 2016 CL Taipei, TAIWAN SP IEEE, IEEE Instrumentat & Measurement Soc, NAR Labs, Instrumetn Technol Res Ctr, TRIOPTICS Taiwan, HsintekOptics, BASO Precis Opt Ltd, Ind Technol Res Inst, YINSH, T & U, Lumos Technol Co Ltd, Zimmerman Sci Co Ltd, CMOS Sensor Inc, arn, Keysight Technologies, Zurich Instrumetns, Samwell Testing Inc DE measurand; mathematical model; quality of fit; phasor measurement unit; frequency; phase angle; power factor; reactive power AB The conceptual entity that metrologists term the measurand is a model selected to represent the physical entity being measured. In a world of digital measurements, it should be defined first mathematically, and only then put into words. Human linguistic processes lack the precision required when all we do is use labels. In this paper, reactive power and frequency are used as examples. The act of measurement finds the values of the coefficients of the model. In other words, it solves an equation. In a digital instrument, information about the quality of the fit between the physical entity being measured and the conceptual model is often available. In essence the instrument can comment on the selection of the model. This comment should be reported as part of the statement of the result of the measurement, along with the declared value and the uncertainty. C1 [Kirkham, H.] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Kirkham, H (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. EM harold.kirkham@pnnl.gov NR 15 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4673-9220-4 PY 2016 BP 133 EP 137 PG 5 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA BF5RF UT WOS:000382523600023 ER PT J AU Fang, YW Chien, AA Lehane, A Barford, L AF Fang, Yuanwei Chien, Andrew A. Lehane, Andrew Barford, Lee GP IEEE TI Performance of Parallel Prefix Circuit Transition Localization of Pulsed Waveforms SO 2016 IEEE INTERNATIONAL INSTRUMENTATION AND MEASUREMENT TECHNOLOGY CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT IEEE International Instrumentation and Measurement Technology Conference (I2MTC) CY MAY 23-26, 2016 CL Taipei, TAIWAN SP IEEE, IEEE Instrumentat & Measurement Soc, NAR Labs, Instrumetn Technol Res Ctr, TRIOPTICS Taiwan, HsintekOptics, BASO Precis Opt Ltd, Ind Technol Res Inst, YINSH, T & U, Lumos Technol Co Ltd, Zimmerman Sci Co Ltd, CMOS Sensor Inc, arn, Keysight Technologies, Zurich Instrumetns, Samwell Testing Inc AB An early step in measuring jitter in communication signals is locating the transitions, the points in time when the waveform changes between logic levels. Transition localization can be the most time-consuming step in jitter measurement because it is the last step where every sample must be processed. We transform the localization FSM (finite state machine) into a Cayley table of a semigroup equivalent to the FSM, in the sense that FSM execution is equivalent to taking products over the semigroup, enabling highly parallel localization yeilding high, gapless throughput. We describe a novel, parallel hardware architecture for executing these semigroup products. We evaluate the practical potential of this approach using two exemplar FSM's, studying the throughput and hardware resource consumption of FPGA (field-programmable gate array) of this parallel architecture, varying two parameters: one that controls FSM size and another that controls the peak hardware parallelism. We use a state of the art FPGA as the technology model, reporting resulting sample rate, power, and resource consumption for a range of designs. These results show that for the simplest FSMs, samples can be examined for transitions at rates as high as 40 gigasamples/second (GSa/s) can be achieved, but that sample rate decreases rapidly for increased p. Also, the explosion in resource requirements with increase p limits data parallelism to below 1024 samples. Likewise, power consumption can be a significant limit for large FSMs. C1 [Fang, Yuanwei; Chien, Andrew A.] Unvers Chicago, Chicago, IL 60637 USA. [Chien, Andrew A.] Argonne Natl Lab, Chicago, IL USA. [Lehane, Andrew] Keysight Technol Inc, Keysight Labs, Edinburgh, Midlothian, Scotland. [Barford, Lee] Keysight Technol Inc, Keysight Labs, Reno, NV USA. RP Fang, YW (reprint author), Unvers Chicago, Chicago, IL 60637 USA. NR 15 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4673-9220-4 PY 2016 BP 228 EP 233 PG 6 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA BF5RF UT WOS:000382523600041 ER PT J AU Zage, DJ Xu, HL Kroeger, TM Hahn, B Donoghue, NP Benson, TR AF Zage, David J. Xu, Helen Kroeger, Thomas M. Hahn, Bridger Donoghue, Nolan P. Benson, Thomas R. GP IEEE TI Secure Distributed Membership Tests via Secret Sharing SO 2016 INTERNATIONAL CONFERENCE ON COMPUTING, NETWORKING AND COMMUNICATIONS (ICNC) LA English DT Proceedings Paper CT International Conference on Computing, Networking and Communications (ICNC) CY FEB 15-18, 2016 CL Kauai, HI SP IEEE, IEEE Comp Soc AB Data security and availability for operational use are frequently seen as conflicting goals. Research on searchable encryption and homomorphic encryption are a start, but they typically build from encryption methods that, at best, provide protections based on problems assumed to be computationally hard. By contrast, data encoding methods such as secret sharing provide information-theoretic data protections. Archives that distribute data using secret sharing can provide data protections that are resilient to malicious insiders, compromised systems, and untrusted components. In this paper, we create the Serial Interpolation Filter, a method for storing and interacting with sets of data that are secured and distributed using secret sharing. We provide the ability to operate over set-oriented data distributed across multiple repositories without exposing the original data. Furthermore, we demonstrate the security of our method under various attacker models and provide protocol extensions to handle colluding attackers. The Serial Interpolation Filter provides information-theoretic protections from a single attacker and computationally hard protections from colluding attackers. C1 [Zage, David J.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Xu, Helen; Kroeger, Thomas M.; Hahn, Bridger; Donoghue, Nolan P.] Sandia Natl Labs, Livermore, CA 94550 USA. [Benson, Thomas R.] Tufts Univ, Medford, MA 02155 USA. RP Zage, DJ (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM djzage@sandia.gov; npdonog@sandia.gov; bhahn@sandia.gov; hxu@sandia.gov; tmkroeg@sandia.gov; thomas.benson@tufts.edu NR 23 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4673-8579-4 PY 2016 PG 6 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA BF5KF UT WOS:000382143300042 ER PT J AU Chai, JD Liu, Y Guo, JH Wu, L Zhou, D Yao, WX Liu, YL King, TJ Gracia, JR Patel, M AF Chai, Jidong Liu, Yong Guo, Jiahui Wu, Ling Zhou, Dao Yao, Wenxuan Liu, Yilu King, Thomas Jr. Gracia, Jose R. Patel, Mahendra GP IEEE TI Wide-area Measurement Data Analytics Using FNET/GridEye: A Review SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE DE Data analytics; FNET/GridEye; Frequency disturbance recorder (FDR); Phasor measurement; Wide-area measurement system (WAMS) ID DYNAMIC-RESPONSE ESTIMATION; POWER-SYSTEM FREQUENCY AB With the increasing size and complexity of the power grid, wide-area measurement system (WAMS) has been studied and implemented more widely. As a pioneering WAMS deployed at the distribution level, the frequency monitoring network FNET/GridEye has been providing independent observation of dynamic performance of U.S. and other worldwide power grids continuously since 2004. By utilizing GPS-time-synchronized monitors called frequency disturbance recorders (FDRs), FNET/GridEye is capable to capture dynamic grid behaviors (e.g., frequency and voltage phase angle). Compared to the three-phase phasor measurement units (PMUs), the FDRs can be conveniently deployed across the grid at distribution level without complex procedure and heavy outlay. With years' continuous development and systematic management, FNET/GridEye has thrived with multiple advanced online and offline applications. The system has been proved to be highly effective in enhancing power grid operators' situational awareness capabilities. In this paper, the latest accomplishments of FNET/GridEye will be introduced. C1 [Chai, Jidong; Liu, Yong; Guo, Jiahui; Wu, Ling; Zhou, Dao; Yao, Wenxuan; Liu, Yilu; King, Thomas Jr.] Univ Tennessee, Knoxville, TN 37996 USA. [Liu, Yilu; King, Thomas Jr.; Gracia, Jose R.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Patel, Mahendra] Elect Power Res Inst, Palo Alto, CA USA. RP Chai, JD (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. NR 38 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 6 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600134 ER PT J AU Chen, YS Fitzhenry, E Jin, SS Palmer, B Sharma, P Huang, ZY AF Chen, Yousu Fitzhenry, Erin Jin, ShuangShuang Palmer, Bruce Sharma, Poorva Huang, Zhenyu GP IEEE TI An Integrated Software Package to Enable Predictive Simulation Capabilities SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE DE High Performance Computing; Look-ahead Dynamic Simulation; Middleware; State Estimation; Visualization ID POWER-SYSTEMS AB The power grid is rapidly evolving with the deployment of smart grid technologies. Such technologies vastly increase the size and complexity of power grid systems for modeling and simulation. This increasing complexity necessitates not only the use of high-performance-computing (HPC) techniques, but a smooth, well-integrated interplay among HPC applications. This paper presents a new software package that integrates HPC applications and a web-based visualization tool based on a middleware framework. This framework can support data communication between different applications. Case studies with a large power system demonstrate the predictive capability brought by the integrated software package, as well as better situational awareness provided by the web-based visualization tool in a live mode. Test results validate the effectiveness and usability of the integrated software package. C1 [Chen, Yousu; Jin, ShuangShuang] Pacific Northwest Natl Lab, Elect Infrastruct, Seattle, WA USA. [Fitzhenry, Erin] Pacific Northwest Natl Lab, Human Ctr Analyt, Seattle, WA USA. [Palmer, Bruce] Pacific Northwest Natl Lab, High Performance Comp, Richland, WA 99352 USA. [Sharma, Poorva] Pacific Northwest Natl Lab, Data Sci, Richland, WA 99352 USA. [Huang, Zhenyu] Pacific Northwest Natl Lab, Elect Infrastruct, Richland, WA 99352 USA. RP Chen, YS (reprint author), Pacific Northwest Natl Lab, Elect Infrastruct, Seattle, WA USA. EM yousu.chen@pnnl.gov; erin.fitzhenry@pnnl.gov; shuangshuang.jin@pnnl.gov; bruce.palmer@pnnl.gov; poorva.sharma@pnnl.gov; zhenyu.huang@pnnl.gov NR 18 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 6 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600139 ER PT J AU D'Agostino, F Silvestro, F Liu, CC Xu, Y Schneider, KP Ton, DT AF D'Agostino, Fabio Silvestro, Federico Liu, Chen-Ching Xu, Yin Schneider, Kevin P. Ton, Dan T. GP IEEE TI Reliability Assessment of Distribution Systems Incorporating Feeder Restoration Actions SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE DE Distribution System Reliability; Distribution System Restoration; Space State Tree ID SIMULATION AB This paper proposes a computational methodology for the evaluation of the IEEE reliability indices for distribution systems considering distribution system restoration. The goal of the proposed methodology is to move from a reliability assessment based on historical data to a computational approach. The developed tool allows the evaluation of the Service Restoration benefits, in terms of customers interruption duration in case of fault occurrences. Distribution System Restoration (DSR) is aimed at restoring loads after a fault by altering the topological structure of the distribution network while meeting electrical and operational constraints. The Spanning Tree Search algorithm is used to identify a post-outage topology that will restore the maximal amount of load with a minimal number of switching operations. The goal of the proposed tool is to determine the optimal switching sequences for the restoration process. The reliability indices incorporates contributions of all possible faults effects. C1 [D'Agostino, Fabio; Silvestro, Federico] Univ Genoa, Dept Elect Elect Telecommun Engn & Naval Architec, Genoa, Italy. [Liu, Chen-Ching; Xu, Yin] Washington State Univ, Sch Elect Engn & Comp Sci, Pullman, WA 99164 USA. [Schneider, Kevin P.] Pacific NW Natl Lab, Battelle Seattle Res Ctr, Seattle, WA USA. [Ton, Dan T.] US DOE, Off Elect Delivery & Energy Reliabil, Washington, DC 20585 USA. RP D'Agostino, F (reprint author), Univ Genoa, Dept Elect Elect Telecommun Engn & Naval Architec, Genoa, Italy. EM fabio.dagostino@edu.unige.it; federico.silvestro@unige.it; liu@eecs.wsu.edu; yxu2@eecs.wsu.edu; kevin.schneider@pnnl.gov; dan.ton@hq.doe.gov NR 16 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 7 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600119 ER PT J AU Deka, D Backhaus, S Chertkov, M AF Deka, Deepjyoti Backhaus, Scott Chertkov, Michael GP IEEE TI Estimating Distribution Grid Topologies: A Graphical Learning based Approach SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE DE Distribution Networks; Power Flows; Graphical Models; Conditional Independence; Computational Complexity AB Distribution grids represent the final tier in electric networks consisting of medium and low voltage lines that connect the distribution substations to the end-users/loads. Traditionally, distribution networks have been operated in a radial topology that may be changed from time to time. Due to absence of a significant number of real-time line monitoring devices in the distribution grid, estimation of the topology/structure is a problem critical for its observability and control. This paper develops a novel graphical learning based approach to estimate the radial operational grid structure using voltage measurements collected from the grid loads. The learning algorithm is based on conditional independence tests for continuous variables over chordal graphs and has wide applicability. It is proven that the scheme can be used for several power flow laws (DC or AC approximations) and more importantly is independent of the specific probability distribution controlling individual bus's power usage. The complexity of the algorithm is discussed and its performance is demonstrated by simulations on distribution test cases. C1 [Deka, Deepjyoti; Backhaus, Scott; Chertkov, Michael] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Deka, D (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM deepjyoti@lanl.gov; backhaus@lanl.gov; chertkov@lanl.gov NR 28 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 7 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600193 ER PT J AU Etingov, PV Weimar, MR Makarov, YV Somani, A Miller, LE Huang, Z Maslennikov, S Litvinov, E AF Etingov, P. V. Weimar, M. R. Makarov, Y. V. Somani, A. Miller, L. E. Huang, Z. Maslennikov, S. Litvinov, E. GP IEEE TI Dynamic Interchange Adjustment (DINA) Algorithm to Explore Benefits of Across-Market Energy Trades SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE DE Dynamic interchange scheduling; probabilistic methods for power system operation; ramping capability; uncertainty quantification; cost/benefit analysis AB The Dynamic Interchange Adjustment (DINA) algorithm and software is designed to provide a look-ahead probabilistic estimation of the secure range for intra-day and intra-hour net interchange adjustments of a balancing authority (BA) within the next dispatch interval. The DINA tool considers all contributing factors, such as expected changes to system load and interchange, spinning reserve requirements, and system ramping capability, as well as relevant uncertainties impacting this estimation, including interchange variations and uncertainties in generation dispatch. Dynamic adjustment of the intertie flows is a significant resource for exchanging energy, capacity and flexibility between BAs and markets. Our cost/benefit analysis illustrates the performance of DINA using an example of Independent System Operator (ISO) New England (ISO-NE) and New York ISO (NY ISO). We compare the DINA results against static/deterministic rules. Our results indicate a significant economic benefit and demonstrate the potential for trading near-real-time energy and capacity between different markets. C1 [Etingov, P. V.; Weimar, M. R.; Makarov, Y. V.; Somani, A.; Miller, L. E.; Huang, Z.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Maslennikov, S.; Litvinov, E.] ISO New England, Holyoke, MA USA. RP Etingov, PV (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM pavel.etingov@pnnl.gov; smaslennikov@iso-ne.com NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 8 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600132 ER PT J AU Nagarajan, H Yamangil, E Bent, R Van Hentenryck, P Backhaus, S AF Nagarajan, Harsha Yamangil, Emre Bent, Russell Van Hentenryck, Pascal Backhaus, Scott GP IEEE TI Optimal Resilient Transmission Grid Design SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE AB As illustrated in recent years (Superstorm Sandy, Northeast Ice Storm of 1998, etc.), extreme weather events pose an enormous threat to the electric power transmission systems and the associated socio-economic systems that depend on reliable delivery of electric power. These threats motivate the need for approaches and methods that improve the response (resilience) of power systems. In this paper, we develop a model and tractable methods for optimizing the upgrade of transmission systems through a combination of hardening existing components, adding redundant lines, switches, generators, and transformers. While many of these components are included in traditional design (expansion planning) problems, we uniquely assess their benefits from a resiliency point of view. C1 [Nagarajan, Harsha; Yamangil, Emre; Bent, Russell; Backhaus, Scott] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Van Hentenryck, Pascal] Univ Michigan, Dept Ind Operat Engn, Ann Arbor, MI 48109 USA. RP Bent, R (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. EM rbent@lanl.gov NR 22 TC 0 Z9 0 U1 2 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 7 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600176 ER PT J AU Palmintier, B Hale, E Hodge, BM Baker, K Hansen, TM AF Palmintier, Bryan Hale, Elaine Hodge, Bri-Mathias Baker, Kyri Hansen, Timothy M. GP IEEE TI Experiences integrating transmission and distribution simulations for DERs with the Integrated Grid Modeling System (IGMS) SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE DE Power systems modeling; Integrated Transmission and Distribution; High-performance Computing; Co-simulation AB This paper discusses the development of, approaches for, experiences with, and some results from a large-scale, high-performance-computer-based (HPC-based) co-simulation of electric power transmission and distribution systems using the Integrated Grid Modeling System (IGMS). IGMS was developed at the National Renewable Energy Laboratory (NREL) as a novel Independent System Operator (ISO)-to-appliance scale electric power system modeling platform that combines off-the-shelf tools to simultaneously model 100s to 1000s of distribution systems in co-simulation with detailed ISO markets, transmission power flows, and AGC-level reserve deployment. Lessons learned from the co-simulation architecture development are shared, along with a case study that explores the reactive power impacts of PV inverter voltage support on the bulk power system. C1 [Palmintier, Bryan; Hale, Elaine; Hodge, Bri-Mathias; Baker, Kyri] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Hansen, Timothy M.] South Dakota State Univ, Elect Engn & Comp Sci, Brookings, SD USA. RP Palmintier, B (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM bryanp@ieee.org; timothy.hansen@sdstate.edu NR 19 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 7 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600217 ER PT J AU Roald, L Andersson, G Misra, S Chertkov, M Backhaus, S AF Roald, Line Andersson, Goran Misra, Sidhant Chertkov, Michael Backhaus, Scott GP IEEE TI Optimal Power Flow with Wind Power Control and Limited Expected Risk of Overloads SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE DE Renewables Integration; Reserves from Wind Power Plants; Probabilistic OPF; Operational Planning AB Over the past years, the share of electricity production from wind power plants has increased to significant levels in several power systems across Europe and the United States. In order to cope with the fluctuating and partially unpredictable nature of renewable energy sources, transmission system operators (TSOs) have responded by requiring wind power plants to be capable of providing reserves or following active power set-point signals. This paper addresses the issue of efficiently incorporating these new types of wind power control in the day-ahead operational planning. We review the technical requirements the wind power plants must fulfill, and propose a mathematical framework for optimizing wind power control. The framework is based on an optimal power flow formulation with weighted chance constraints, which accounts for the uncertainty of wind power forecasts and allows us to limit the expected risk of constraint violations. In a case study based on the IEEE 118 bus system, we use the developed method to assess the effectiveness of different types of wind power control in terms of operational cost, system security and wind power curtailment. C1 [Roald, Line; Andersson, Goran] Swiss Fed Inst Technol, Power Syst Lab, Zurich, Switzerland. [Misra, Sidhant; Chertkov, Michael; Backhaus, Scott] Los Alamos Natl Lab, Los Alamos, NM USA. RP Roald, L (reprint author), Swiss Fed Inst Technol, Power Syst Lab, Zurich, Switzerland. EM roald@eeh.ee.ethz.ch; andersson@eeh.ee.ethz.ch; sidhant@lanl.gov; chertkov@lanl.gov; backhaus@lanl.gov NR 18 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 7 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600095 ER PT J AU Roberts, C Stewart, EM Milano, F AF Roberts, Ciaran Stewart, Emma M. Milano, Federico GP IEEE TI Validation of the Ornstein-Uhlenbeck Process for Load Modeling Based on mu PMU Measurements SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE DE Distribution system; Ornstein-Uhlenbeck process; load modelling; micro-synchrophasors (mu PMU's); volatility ID STOCHASTIC DIFFERENTIAL-EQUATIONS; NUMERICAL-SIMULATION AB This paper investigates the suitability of the Ornstein-Uhlenbeck process, driven by various Levy processes, for load modeling at the distribution network level. An in-depth description outlining the procedure for estimating the required parameters is given. Both the statistical properties of the simulated processes and its auto-correlation is compared to that of the field measured data to demonstrate the suitability of the proposed methodology. The development of such stochastic models is facilitated by measures obtained from micro-synchrophasors (mu PMU's). The data from these devices serves to demonstrate the need to model the volatility along with validating a model attempting to model said volatility. C1 [Roberts, Ciaran; Stewart, Emma M.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Milano, Federico] Univ Coll Dublin, Dublin, Ireland. RP Roberts, C (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM cmroberts@lbl.gov; estewart@lbl.gov; federico.milano@ucd.ie NR 21 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 7 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600086 ER PT J AU Rotger-Griful, S Chatzivasileiadist, S Jacobsen, RH Stewart, EM Domingo, JM Wetter, M AF Rotger-Griful, Sergi Chatzivasileiadist, Spyros Jacobsen, Rune Hylsberg Stewart, Emma M. Matanza Domingo, Javier Wetter, Michael GP IEEE TI Hardware-in-the-Loop Co-simulation of Distribution Grid for Demand Response SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE DE Demand Response; Co-simulation; Functional Mock-up Interface; PowerFactory; Hardware-in-the-Loop ID PLATFORM AB In modern power systems, co-simulation is proposed as an enabler for analyzing the interactions between disparate systems. This paper introduces the co-simulation platform Virtual Grid Integration Laboratory (VirGIL) including Hardware-in-the-Loop testing, and demonstrates its potential to assess demand response strategies. VirGIL is based on a modular architecture using the Functional Mock-up Interface industrial standard to integrate new simulators. VirGIL combines state-of-the-art simulators in power systems, communications, buildings, and control. In this work, VirGIL is extended with a Hardware-in-the-Loop component to control the ventilation system of a real 12-story building in Denmark. VirGIL capabilities are illustrated in three scenarios: load following, primary reserves and load following aggregation. Experimental results show that the system can track one minute changing signals and it can provide primary reserves for up-regulation. Furthermore, the potential of aggregating several ventilation systems is evaluated considering the impact at distribution grid level and the communications protocol effect. C1 [Rotger-Griful, Sergi; Jacobsen, Rune Hylsberg] Aarhus Univ, Dept Engn, Aarhus, Denmark. [Chatzivasileiadist, Spyros] MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Stewart, Emma M.; Wetter, Michael] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Matanza Domingo, Javier] Univ Pontificia Comillas, Madrid, Spain. RP Rotger-Griful, S (reprint author), Aarhus Univ, Dept Engn, Aarhus, Denmark. RI Jacobsen, Rune/K-6898-2015 OI Jacobsen, Rune/0000-0001-9128-574X NR 22 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 7 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600016 ER PT J AU Sundar, K Nagarajan, H Lubin, M Roald, L Misra, S Bent, R Bienstock, D AF Sundar, Kaarthik Nagarajan, Harsha Lubin, Miles Roald, Line Misra, Sidhant Bent, Russell Bienstock, Daniel GP IEEE TI Unit Commitment with N-1 Security and Wind Uncertainty SO 2016 POWER SYSTEMS COMPUTATION CONFERENCE (PSCC) LA English DT Proceedings Paper CT 19th Power Systems Computation Conference (PSCC) CY JUN 20-24, 2016 CL Genova, ITALY SP IEEE DE Unit commitment; wind uncertainty; security constraints; mixed-integer second-order conic programs ID POWER-GENERATION; OPTIMIZATION; NETWORK AB As renewable wind energy penetration rates continue to increase, one of the major challenges facing grid operators is the question of how to control transmission grids in a reliable and a cost-efficient manner. The stochastic nature of wind forces an alteration of traditional methods for solving day-ahead and look-ahead unit commitment and dispatch. In particular, uncontrollable wind generation increases the risk of random component failures. To address these questions, we present an N-1 Security and Chance-Constrained Unit Commitment (SCCUC) that includes the modeling of generation reserves that respond to wind fluctuations and tertiary reserves to account for single component outages. The basic formulation is reformulated as a mixed-integer second-order cone problem to limit the probability of failure. We develop three different algorithms to solve the problem to optimality and present a detailed case study on the IEEE RTS-96 single area system. The case study assesses the economic impacts due to contingencies and various degrees of wind power penetration into the system and also corroborates the effectiveness of the algorithms. C1 [Nagarajan, Harsha; Misra, Sidhant; Bent, Russell] Los Alamos Natl Lab, Los Alamos, NM USA. [Sundar, Kaarthik] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. [Lubin, Miles] MIT, Ctr Operat Res, Cambridge, MA 02139 USA. [Roald, Line] Swiss Fed Inst Technol, Dept Elect Engn, Power Syst Lab, Zurich, Switzerland. [Bienstock, Daniel] Columbia Univ, Dept Ind Engn & Operat Res, New York, NY 10027 USA. [Bienstock, Daniel] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. RP Sundar, K (reprint author), Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. NR 26 TC 0 Z9 0 U1 2 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-8-8941-0512-4 PY 2016 PG 7 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5PY UT WOS:000382485600098 ER PT J AU Wu, H Huang, MY Tang, QH Kirschbaum, DB Ward, P AF Wu, Huan Huang, Maoyi Tang, Qiuhong Kirschbaum, Dalia B. Ward, Philip TI Hydrometeorological Hazards: Monitoring, Forecasting, Risk Assessment, and Socioeconomic Responses SO ADVANCES IN METEOROLOGY LA English DT Editorial Material ID SATELLITE-BASED RAINFALL; GLOBAL FLOOD RISK; MODEL; FRAMEWORK C1 [Wu, Huan] Univ Maryland, College Pk, MD 20742 USA. [Wu, Huan; Kirschbaum, Dalia B.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Huang, Maoyi] Pacific Northwest Natl Lab, Richland, WA USA. [Tang, Qiuhong] Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Key Lab Water Cycle & Related Land Surface Proc, Beijing, Peoples R China. [Ward, Philip] Vrije Univ, Amsterdam, Netherlands. RP Wu, H (reprint author), Univ Maryland, College Pk, MD 20742 USA.; Wu, H (reprint author), NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. EM huanwu@umd.edu RI Huang, Maoyi/I-8599-2012; Ward, Philip/E-6208-2010; Wu, Huan/K-1003-2013 OI Huang, Maoyi/0000-0001-9154-9485; Wu, Huan/0000-0003-2920-8860 NR 19 TC 0 Z9 0 U1 3 U2 3 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 315 MADISON AVE 3RD FLR, STE 3070, NEW YORK, NY 10017 USA SN 1687-9309 EI 1687-9317 J9 ADV METEOROL JI Adv. Meteorol. PY 2016 AR 2367939 DI 10.1155/2016/2367939 PG 3 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DW3BV UT WOS:000383518000001 ER PT J AU Pinterich, T Vrtala, A Kaltak, M Kangasluoma, J Lehtipalo, K Petaja, T Winkler, PM Kulmala, M Wagner, PE AF Pinterich, Tamara Vrtala, Aron Kaltak, Merzuk Kangasluoma, Juha Lehtipalo, Katrianne Petaja, Tuukka Winkler, Paul M. Kulmala, Markku Wagner, Paul E. TI The versatile size analyzing nuclei counter (vSANC) SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID CONDENSATION PARTICLE COUNTERS; DIFFERENTIAL MOBILITY ANALYZER; HETEROGENEOUS NUCLEATION; AEROSOL-PARTICLES; LAMINAR-FLOW; GROWTH; NANOMETER; CLUSTERS; CCN; GENERATION AB We present a new field-deployable expansion chamber condensation particle counter-the versatile size analyzing nuclei counter (vSANC). The measuring principle, which was adopted from the classical SANC, was optimized regarding ranges of operating temperatures (-20 degrees C to +40 degrees C/, inlet gas pressures (0.2-1.2 bar), inlet flow rates (1.6-9 l/min) and condensing liquids (alcohols, alcanes, water, etc.), all of which make vSANC applicable to a wide variety of environments. Precision determination of vapor supersaturation ratios allows estimating neutral cluster sizes without prior electrical-mobility based classification of the sample. Additionally, absolute number concentrations ranging from 10(2) to 10(7)cm(-3) can be measured without referring to external calibration standards. This enables size-resolved number concentration measurements of nanoparticles. Laboratory studies using n-propanol as condensing liquid demonstrated that charged (NH4)(2)SO4 and WOx particles as small as 1.5 nm can be counted with an efficiency of 10%. Furthermore, we observed an increase in counting efficiency of charged WOx particles by about 50% when lowering vSANC's chamber and saturator temperatures from 23 degrees C and 25 degrees C to 13 degrees C and 15 degrees C, respectively. During spring 2014, the vSANC was operated at the SMEAR II station in Finland where the formation and growth of atmospheric clusters was investigated. Atmospheric new particle formation (NPF) was observed only when vSANC's operating temperatures (13 degrees C and 15 degrees C) were close to the ambient air temperature (about 5 degrees C-15 degrees C). Diurnal concentration evolution measured with the vSANC was compared with data from a differential mobility particle sizer (DMPS) and a nano-condensation nucleus counter (nCNC, Airmodus A11). vSANC detected the NPF signal 2-3 h before the DMPS in agreement with the nCNC; however, a continuously present pool of highly concentrated neutral clusters in the sub-3 nm diameter range could not be confirmed during these measurements. C1 [Pinterich, Tamara; Vrtala, Aron; Kaltak, Merzuk; Winkler, Paul M.; Wagner, Paul E.] Univ Vienna, Fac Phys, Vienna, Austria. [Kangasluoma, Juha; Lehtipalo, Katrianne; Petaja, Tuukka; Kulmala, Markku] Univ Helsinki, Dept Phys, Helsinki, Finland. [Pinterich, Tamara] Brookhaven Natl Lab, Environm & Climate Sci Dept, Bldg 815,POB 5000, Upton, NY 11973 USA. [Kaltak, Merzuk] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Lehtipalo, Katrianne] Paul Scherrer Inst, Villigen, Switzerland. RP Pinterich, T (reprint author), Brookhaven Natl Lab, Environm & Climate Sci Dept, Bldg 815,POB 5000, Upton, NY 11973 USA. EM tpinterich@bnl.gov RI Petaja, Tuukka/A-8009-2008; OI Petaja, Tuukka/0000-0002-1881-9044; Lehtipalo, Katrianne/0000-0002-1660-2706; Kangasluoma, Juha/0000-0002-1639-1187 FU European Research Council under the European Community [616075, 262254]; European Union's Horizon [2020]; Marie Sklodowska-Curie programme from the Top-level Research Initiative (Cryosphere-atmosphere interactions in a changing Arctic climate-CRAICC) [656994]; Austrian Science Fund [P19546, L593] FX The research leading to these results has received funding from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement No. 616075 (NANODYNAMITE) and No. 262254 (ACTRIS), the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie programme (grant no. 656994) from the Top-level Research Initiative (Cryosphere-atmosphere interactions in a changing Arctic climate-CRAICC) and from the Austrian Science Fund (P19546, L593). NR 49 TC 3 Z9 3 U1 2 U2 4 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0278-6826 EI 1521-7388 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PY 2016 VL 50 IS 9 BP 947 EP 958 DI 10.1080/02786826.2016.1210783 PG 12 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA DU4OI UT WOS:000382192000008 ER PT J AU Song, MJ Liu, PFF Hanna, SJ Zaveri, RA Potter, K You, Y Martin, ST Bertram, AK AF Song, Mijung Liu, Pengfei F. Hanna, Sarah J. Zaveri, Rahul A. Potter, Katie You, Yuan Martin, Scot T. Bertram, Allan K. TI Relative humidity-dependent viscosity of secondary organic material from toluene photo-oxidation and possible implications for organic particulate matter over megacities SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID PARTICLE-PHASE CHEMISTRY; AEROSOL FORMATION; SIZE DISTRIBUTION; GLASS-TRANSITION; ALPHA-PINENE; AROMATIC-HYDROCARBONS; HYGROSCOPIC GROWTH; AMMONIUM-SULFATE; OZONE FORMATION; SOA PARTICLES AB To improve predictions of air quality, visibility, and climate change, knowledge of the viscosities and diffusion rates within organic particulate matter consisting of secondary organic material (SOM) is required. Most qualitative and quantitative measurements of viscosity and diffusion rates within organic particulate matter have focused on SOM particles generated from biogenic volatile organic compounds (VOCs) such as alpha-pinene and isoprene. In this study, we quantify the relative humidity (RH)-dependent viscosities at 295 +/- 1K of SOM produced by photo-oxidation of toluene, an anthropogenic VOC. The viscosities of toluene-derived SOM were 2 x 10(-1) to similar to 6 x 10(6) Pa s from 30 to 90% RH, and greater than similar to 2 x 10(8) Pa s (similar to or greater than the viscosity of tar pitch) for RH <= 17 %. These viscosities correspond to Stokes-Einstein-equivalent diffusion coefficients for large organic molecules of similar to 2 x 10(-15) cm(2) s(-1) for 30% RH, and lower than similar to 3 x 10(-17) cm(2) s(-1) for RH <= 17 %. Based on these estimated diffusion coefficients, the mixing time of large organic molecules within 200 nm toluene-derived SOM particles is 0.1-5 h for 30% RH, and higher than similar to 100 h for RH <= 17 %. As a starting point for understanding the mixing times of large organic molecules in organic particulate matter over cities, we applied the mixing times determined for toluene-derived SOM particles to the world's top 15 most populous megacities. If the organic particulate matter in these megacities is similar to the toluene-derived SOM in this study, in Istanbul, Tokyo, Shanghai, and Sao Paulo, mixing times in organic particulate matter during certain periods of the year may be very short, and the particles may be wellmixed. On the other hand, the mixing times of large organic molecules in organic particulate matter in Beijing, Mexico City, Cairo, and Karachi may be long and the particles may not be well-mixed in the afternoon (15:00-17:00 LT) during certain times of the year. C1 [Song, Mijung; Hanna, Sarah J.; You, Yuan; Bertram, Allan K.] Univ British Columbia, Dept Chem, Vancouver, BC, Canada. [Song, Mijung] Chonbuk Natl Univ, Dept Earth & Environm Sci, Jeollabuk Do, South Korea. [Liu, Pengfei F.; Martin, Scot T.] Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Zaveri, Rahul A.] Pacific Northwest Natl Lab, Atmospher Sci & Global Change Div, Richland, WA USA. [Potter, Katie] Univ Bristol, Sch Chem, Bristol, Avon, England. [Martin, Scot T.] Harvard Univ, Dept Earth & Planetary Sci, 20 Oxford St, Cambridge, MA 02138 USA. RP Bertram, AK (reprint author), Univ British Columbia, Dept Chem, Vancouver, BC, Canada. EM bertram@chem.ubc.ca RI Martin, Scot/G-1094-2015 OI Martin, Scot/0000-0002-8996-7554 FU Natural Sciences and Engineering Research Council of Canada; USA National Science Foundation; Atmospheric Science Research (ASR) Program of the USA Department of Energy; National Research Foundation of Korea (NRF) - Korea Government (MSIP) [2016R1C1B1009243]; Chonbuk National University FX This work was supported by the Natural Sciences and Engineering Research Council of Canada. Support from the USA National Science Foundation, the Atmospheric Science Research (ASR) Program of the USA Department of Energy, the National Research Foundation of Korea (NRF) grant funded by the Korea Government (MSIP) (2016R1C1B1009243), and research funds for newly appointed professors of Chonbuk National University in 2015 is also acknowledged. NR 96 TC 5 Z9 5 U1 15 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 2016 VL 16 IS 14 BP 8817 EP 8830 DI 10.5194/acp-16-8817-2016 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DT1AE UT WOS:000381213300006 ER PT J AU Feng, S Lauvaux, T Newman, S Rao, P Ahmadov, R Deng, AJ Diaz-Isaac, LI Duren, RM Fischer, ML Gerbig, C Gurney, KR Huang, JH Jeong, S Li, ZJ Miller, CE O'Keeffe, D Patarasuk, R Sander, SP Song, Y Wong, KW Yung, YL AF Feng, Sha Lauvaux, Thomas Newman, Sally Rao, Preeti Ahmadov, Ravan Deng, Aijun Diaz-Isaac, Liza I. Duren, Riley M. Fischer, Marc L. Gerbig, Christoph Gurney, Kevin R. Huang, Jianhua Jeong, Seongeun Li, Zhijin Miller, Charles E. O'Keeffe, Darragh Patarasuk, Risa Sander, Stanley P. Song, Yang Wong, Kam W. Yung, Yuk L. TI Los Angeles megacity: a high-resolution land-atmosphere modelling system for urban CO2 emissions SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID FOSSIL-FUEL CO2; CANOPY MODEL; ERROR CHARACTERIZATION; POLLUTANT TRANSPORT; CARBON-DIOXIDE; HEAT-ISLAND; WRF-VPRM; CALIFORNIA; SCALE; SIMULATIONS AB Megacities are major sources of anthropogenic fossil fuel CO2 (FFCO2) emissions. The spatial extents of these large urban systems cover areas of 10 000 km(2) or more with complex topography and changing landscapes. We present a high-resolution land-atmosphere modelling system for urban CO2 emissions over the Los Angeles (LA) megacity area. The Weather Research and Forecasting (WRF)Chem model was coupled to a very high-resolution FFCO2 emission product, Hestia-LA, to simulate atmospheric CO2 concentrations across the LA megacity at spatial resolutions as fine as similar to 1 km. We evaluated multiple WRF configurations, selecting one that minimized errors in wind speed, wind direction, and boundary layer height as evaluated by its performance against meteorological data collected during the CalNex-LA campaign (May-June 2010). Our results show no significant difference between moderate-resolution (4 km) and high-resolution (1.3 km) simulations when evaluated against surface meteorological data, but the highresolution configurations better resolved planetary boundary layer heights and vertical gradients in the horizontal mean winds. We coupled our WRF configuration with the Vul-can 2.2 (10 km resolution) and Hestia-LA (1.3 km resolution) fossil fuel CO2 emission products to evaluate the impact of the spatial resolution of the CO2 emission products and the meteorological transport model on the representation of spatiotemporal variability in simulated atmospheric CO2 concentrations. We find that high spatial resolution in the fossil fuel CO2 emissions is more important than in the atmospheric model to capture CO2 concentration variability across the LA megacity. Finally, we present a novel approach that employs simultaneous correlations of the simulated atmospheric CO2 fields to qualitatively evaluate the greenhouse gas measurement network over the LA megacity. Spatial correlations in the atmospheric CO2 fields reflect the coverage of individual measurement sites when a statistically significant number of sites observe emissions from a specific source or location. We conclude that elevated atmospheric CO2 concentrations over the LA megacity are composed of multiple fine-scale plumes rather than a single homogenous urban dome. Furthermore, we conclude that FFCO2 emissions monitoring in the LA megacity requires FFCO2 emissions modelling with similar to 1 km resolution because coarser-resolution emissions modelling tends to overestimate the observational constraints on the emissions estimates. C1 [Feng, Sha] Univ Calif Los Angeles, JIFRESSE, Los Angeles, CA 90095 USA. [Feng, Sha; Lauvaux, Thomas; Rao, Preeti; Duren, Riley M.; Li, Zhijin; Miller, Charles E.; Sander, Stanley P.; Wong, Kam W.] CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA. [Lauvaux, Thomas; Deng, Aijun; Diaz-Isaac, Liza I.] Penn State Univ, Dept Meteorol & Atmospher Sci, State Coll, PA USA. [Newman, Sally; Wong, Kam W.; Yung, Yuk L.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. [Ahmadov, Ravan] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Ahmadov, Ravan] NOAA, Earth Syst Res Lab, Boulder, CO USA. [Fischer, Marc L.; Jeong, Seongeun] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Gerbig, Christoph] Max Planck Inst Biogeochem, Hans Knoll Str 10, D-07745 Jena, Germany. [Gurney, Kevin R.; Huang, Jianhua; O'Keeffe, Darragh; Patarasuk, Risa; Song, Yang] Arizona State Univ, Sch Life Sci, Tempe, AZ USA. [Feng, Sha] Penn State Univ, Dept Meteorol & Atmospher Sci, University Pk, PA 16802 USA. RP Feng, S (reprint author), Univ Calif Los Angeles, JIFRESSE, Los Angeles, CA 90095 USA.; Feng, S (reprint author), CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA.; Feng, S (reprint author), Penn State Univ, Dept Meteorol & Atmospher Sci, University Pk, PA 16802 USA. EM sfeng@psu.edu RI Ahmadov, Ravan/F-2036-2011; Gerbig, Christoph/L-3532-2013; Manager, CSD Publications/B-2789-2015 OI Ahmadov, Ravan/0000-0002-6996-7071; Gerbig, Christoph/0000-0002-1112-8603; FU NASA; National Institute of Standards and Technology (NIST); Caltech/JPL President & Director's Research and Development Fund; NIST [70NANB14H321]; US Weather Research Program within NOAA/OAR Office of Weather and Air Quality; Laboratory Directed Research and Development Program, Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX A portion of this work was performed at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. The Megacities Carbon Project is sponsored in part by the National Institute of Standards and Technology (NIST). Sally Newman acknowledges funding from the Caltech/JPL President & Director's Research and Development Fund. Kevin R. Gurney thanks NIST grant 70NANB14H321. Ravan Ahmadov was supported by the US Weather Research Program within the NOAA/OAR Office of Weather and Air Quality. Seongeun Jeong and Marc L. Fischer acknowledge the support by the Laboratory Directed Research and Development Program, Office of Science, of the US Department of Energy under contract no. DE-AC02-05CH11231. Thanks to W. Angevine at NOAA for radar wind profiler data, K. Aikin at NOAA for Aircraft WP-3D data, and B. Lefer at University of Houston for ceilometer data. NR 91 TC 2 Z9 2 U1 8 U2 8 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1680-7316 EI 1680-7324 J9 ATMOS CHEM PHYS JI Atmos. Chem. Phys. PY 2016 VL 16 IS 14 BP 9019 EP 9045 DI 10.5194/acp-16-9019-2016 PG 27 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DT1AE UT WOS:000381213300016 ER PT J AU Zhang, X Jain, R Li, GT AF Zhang, Xue Jain, Rashmi Li, Guotian TI Roles of Rack1 Proteins in Fungal Pathogenesis SO BIOMED RESEARCH INTERNATIONAL LA English DT Review ID ACTIVATED C-KINASE; AMINO-ACID CONTROL; YEAST SACCHAROMYCES-CEREVISIAE; HETEROTRIMERIC G-PROTEIN; CRYPTOCOCCUS-NEOFORMANS; NEUROSPORA-CRASSA; CANDIDA-ALBICANS; ASPERGILLUS-NIDULANS; MAMMALIAN RACK1; FISSION YEAST AB Pathogenic fungi cause diseases on various organisms. Despite their differences in life cycles, fungal pathogens use well-conserved proteins and pathways to regulate developmental and infection processes. In this review, we focus on Rack1, a multifaceted scaffolding protein involved in various biological processes. Rack1 is well conserved in eukaryotes and plays important roles in fungi, though limited studies have been conducted. To accelerate the study of Rack1 proteins in fungi, we review the functions of Rack1 proteins in model and pathogenic fungi and summarize recent progress on how Rack1 proteins are involved in fungal pathogenesis. C1 [Zhang, Xue] Purdue Univ, Dept Bot & Plant Pathol, W Lafayette, IN 47907 USA. [Jain, Rashmi; Li, Guotian] Univ Calif Davis, Dept Plant Pathol, Davis, CA 95616 USA. [Jain, Rashmi; Li, Guotian] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA. [Jain, Rashmi; Li, Guotian] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Feedstocks Div, Berkeley, CA 94720 USA. [Jain, Rashmi; Li, Guotian] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Li, GT (reprint author), Univ Calif Davis, Dept Plant Pathol, Davis, CA 95616 USA.; Li, GT (reprint author), Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA.; Li, GT (reprint author), Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Feedstocks Div, Berkeley, CA 94720 USA.; Li, GT (reprint author), Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM gtli@ucdavis.edu NR 81 TC 0 Z9 0 U1 3 U2 3 PU HINDAWI PUBLISHING CORP PI NEW YORK PA 315 MADISON AVE 3RD FLR, STE 3070, NEW YORK, NY 10017 USA SN 2314-6133 EI 2314-6141 J9 BIOMED RES INT JI Biomed Res. Int. PY 2016 AR 4130376 DI 10.1155/2016/4130376 PG 8 WC Biotechnology & Applied Microbiology; Medicine, Research & Experimental SC Biotechnology & Applied Microbiology; Research & Experimental Medicine GA DV7DD UT WOS:000383095400001 ER PT J AU Zhang, RQ Szanyi, J Gao, F McEwen, JS AF Zhang, Renqin Szanyi, Janos Gao, Feng McEwen, Jean-Sabin TI The interaction of reactants, intermediates and products with Cu ions in Cu-SSZ-13 NH3 SCR catalysts: an energetic and ab initio X-ray absorption modeling study SO CATALYSIS SCIENCE & TECHNOLOGY LA English DT Article ID EXCHANGED ZEOLITES; NITROGEN-OXIDES; SSZ-13 ZEOLITE; ACTIVE-SITES; REDUCTION; COPPER; NOX; XANES; OXIDATION; CHABAZITE AB In this contribution, the most likely positions for Cu in Cu-SSZ-13 with a single charge compensating Al atom (ZCu) with a Si : Al ratio of 11 : 1 were investigated, including the effect of the adsorption of reactants, intermediates, and products that one would find in an NH3 SCR reaction by using first-principles calculations based on density functional theory. The 6-membered ring (6MR) site is the most energetically favorable, while the 8-membered ring (8MR) sites are less favorable with energy differences of about 0.5 eV with respect to the 6MR site for plain ZCu. Upon molecular adsorption, the energy differences between Cu in the 8MR and 6MR sites decrease and, in some cases, almost disappear. For the complex scenarios of NO or CO adsorption, the co-adsorption of 2 NO or 2 CO molecules, as well as NO or CO with OH and H2O, weakens the interaction between adsorbates and Cu. The X-ray absorption near edge structure (XANES) of Cu in Cu-SSZ-13 under different conditions was also modeled from first principles. A small peak feature around 8979.5 eV was found in the K-edge XANES of Cu for a clean ZCu conformation with Cu in the 8MR site, while this feature is absent when Cu is in the 6MR site. We correlate this result for this case as well as for other representative configurations by analyzing the corresponding PDOS of the excited state of Cu while taking into account the core-hole effect. Molecular adsorption onto Cu in the 6MR or 8MR site results in a Cu K-edge XANES that is independent of its location. When NO (or CO, N-2) is adsorbed onto Cu in ZCu, a small peak feature in the K-edge XANES appears at 8980 eV, which is induced by the splitting of the Cu 4p state. An analysis of the XANES in the presence of two co-adsorbed species on an isolated Cu ion shows that the K-edge position of Cu has the following order (from low to high energy): clean < M < M + H2O < 2M < M + OH (M denotes NO or CO). As a result, we conclude that (1) XANES can readily distinguish between adsorbates on ZCu due to their different oxidizing capacities, but (2) XANES cannot be used to distinguish between the Cu location and the oxidation state in the presence of adsorbates, except in the presence of H2O and NH3 where such distinctions can be made. C1 [Zhang, Renqin; McEwen, Jean-Sabin] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. [Szanyi, Janos; Gao, Feng] Pacific Northwest Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. [McEwen, Jean-Sabin] Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA. [McEwen, Jean-Sabin] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. RP McEwen, JS (reprint author), Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA.; McEwen, JS (reprint author), Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA.; McEwen, JS (reprint author), Washington State Univ, Dept Chem, Pullman, WA 99164 USA. EM js.mcewen@wsu.edu RI Zhang, Renqin/Q-2789-2015 OI Zhang, Renqin/0000-0002-4489-2050 FU Voiland School of Chemical Engineering and Bioengineering; USDA/NIFA through Hatch Project [WNP00807]; National Science Foundation GOALI program [CBET-1258717]; U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program; Department of Energy's Office of Biological and Environmental Research FX This work was supported by institutional funds provided to JSM from the Voiland School of Chemical Engineering and Bioengineering and was partially funded by USDA/NIFA through Hatch Project #WNP00807 entitled: "Fundamental and Applied Chemical and Biological Catalysts to Minimize Climate Change, Create a Sustainable Energy Future, and Provide a Safer Food Supply". Financial support was also provided by the National Science Foundation GOALI program under contract No. CBET-1258717. We thank Prof. Fabio Ribeiro for the experimental XANES data. We also thank Mr. Atish Parekh, Prof. W. F. Schneider, Mr. Christopher Paolucci, Mr. Trunjoyo Anggara, Dr. Vincent Kispersky and Prof. Jeff Miller for stimulating discussions on the modeling of the XANES spectrum and Dr. Alyssa Hensley for her comments on the manuscript. J. S. and F. G. acknowledge the financial support of their work by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. A portion of the computer time for the computational work was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at PNNL. PNNL is a multi-program national laboratory operated for the US DOE by Battelle. NR 54 TC 3 Z9 3 U1 15 U2 15 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 2016 VL 6 IS 15 BP 5812 EP 5829 DI 10.1039/c5cy02252e PG 18 WC Chemistry, Physical SC Chemistry GA DT4DV UT WOS:000381431200006 ER PT J AU Ebrahim, S Morsy, A Kenawy, E Abdel-Fattah, T Kandil, S AF Ebrahim, Sh. Morsy, A. Kenawy, E. Abdel-Fattah, T. Kandil, S. TI Reverse osmosis membranes for water desalination based on cellulose acetate extracted from Egyptian rice straw SO DESALINATION AND WATER TREATMENT LA English DT Article DE Cellulose; Cellulose acetate; Reverse osmosis; Membrane; Desalination ID ACETYLATION; ACID; PULP AB Cellulose diacetate (CDA) and cellulose triacetate (CTA) were extracted from Egyptian rice straw. Reverse osmosis (RO) membranes were prepared from this CDA using phase inversion technique. The structural, crystalline, morphological, and hydrophilic properties of the prepared membranes were characterized by Fourier transform infrared spectroscopy, proton nuclear magnetic resonance ((HNMR)-H-1), X-ray diffraction (XRD), scanning electron microscopy (SEM), and contact angle measurements, respectively. The NMR spectra revealed a degree of substitution of 2.8 for CTA and 1.75 for CDA. The values of water flux and salt rejection for CA-RO membrane without annealing, tested in 10,000ppm NaCl, were 7.1 L/m(2)h and 87.4%, respectively, while the water flux of 4.76 L/m(2)h and a salt rejection of 93.3% were obtained for the annealed CA-RO membrane at 14bar. The annealed CA-RO membranes showed an asymmetric structure with ridge-and-valley on the top layer and macrovoid structures in the support layer as revealed by SEM. The CA-RO membranes grafted with 15wt% of 2-acrylamidopropane-2-methyl sulfonic acid produced a salt rejection of 93.5% and a water flux of 8.3 L/m(2)h. It was concluded that both the annealing and grafting processes enhanced the performance of the CA-RO membranes. C1 [Ebrahim, Sh.; Morsy, A.; Kandil, S.] Univ Alexandria, Inst Grad Studies & Res, Dept Mat Sci, 163 Horreya Ave, Alexandria 21526, Egypt. [Morsy, A.] Egyptian Petrochem Co, Dept Chem, Alexandria, Egypt. [Kenawy, E.] Tanta Univ, Dept Chem, Fac Sci, Tanta, Egypt. [Abdel-Fattah, T.] Christopher Newport Univ, Appl Res Ctr, Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Abdel-Fattah, T.] Christopher Newport Univ, Dept Mol Biol & Chem, Newport News, VA 23606 USA. RP Ebrahim, S (reprint author), Univ Alexandria, Inst Grad Studies & Res, Dept Mat Sci, 163 Horreya Ave, Alexandria 21526, Egypt. EM shebrahim@alex-igsr.edu.eg; ashrafchamist@yahoo.com; ekenawy@science.tanta.edu.eg; fattah@cnu.edu; s.kandil@usa.net FU Science and Technology Development Fund in Egypt [3988] FX The authors acknowledge the Science and Technology Development Fund in Egypt for supporting this project (project ID 3988). NR 28 TC 0 Z9 0 U1 4 U2 4 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1944-3994 EI 1944-3986 J9 DESALIN WATER TREAT JI Desalin. Water Treat. PY 2016 VL 57 IS 44 BP 20738 EP 20748 DI 10.1080/19443994.2015.1110052 PG 11 WC Engineering, Chemical; Water Resources SC Engineering; Water Resources GA DV5NR UT WOS:000382975100012 ER PT J AU Omell, BP Ma, JL Mahapatra, P Yu, MZ Lee, A Bhattacharyya, D Zitney, SE Biegler, LT Miller, DC AF Omell, Benjamin P. Ma, Jinliang Mahapatra, Priyadarshi Yu, Mingzhao Lee, Andrew Bhattacharyya, Debangsu Zitney, Stephen E. Biegler, Lorenz T. Miller, David C. TI Advanced Modeling and Control of a Solid Sorbent-Based CO2 Capture Process SO IFAC PAPERSONLINE LA English DT Proceedings Paper CT 11th IFAC Symposium on Dynamics and Control of Process Systems including Biosystems CY JUN 06-08, 2016 CL Norwegian Univ Sci & Technol, Trondheim, NORWAY SP Int Federat Automat Control, Tech Comm 6 1 Chem Proc Control, Int Federat Automat Control, Tech Comm 8 4 Biosystems & Bioprocesses, Norwegian Univ Sci & Technol, Gemini Ctr PROST Adv Proc Control, SINTEF, Statoil, Norway IFAC NMO HO Norwegian Univ Sci & Technol DE Reduced-order models; nonlinear model predictive control; control; CO2 capture ID SYSTEMS AB Solid sorbent-based CO, capture from flue gas provides a novel alternative to traditional solvent-based processes due to potentially lower energy consumption for regeneration. Optimal operation of such a gas-solid flow process requires an advanced control framework for efficient disturbance rejection and setpoint tracking. This work focuses on the development of computationally fast and accurate dynamic reduced models (D-RMs) and the application of these models to nonlinear model predictive control (NMPC) algorithms. TWO different types of D-RMs are developed: the first type is a data-driven model Where step-test data are utilized to generate the D-RM through the Decoupled A-B Net (DABNct) model, and the second type of D-RM is a temporal and spatial reduction of the original process model to improve its computational efficiency while still retaining its physics. Disturbance rejection and setpoint tracking characteristics of the NMPC and its computational performance are studied for both types of D-RMs. In addition, performance of both NMPC formulations arc compared with linear model predictive control (LMPC) formulations. (C) 2016, IFAC (International Federation of Automatic Control) Hosting by Elsevier Ltd. All rights reserved. C1 [Omell, Benjamin P.; Bhattacharyya, Debangsu] West Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. [Ma, Jinliang; Mahapatra, Priyadarshi; Zitney, Stephen E.] Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. [Yu, Mingzhao; Biegler, Lorenz T.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Lee, Andrew; Miller, David C.] Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. RP Bhattacharyya, D (reprint author), West Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. EM Debangsu.Bhattacharyya@mail.wvu.edu NR 17 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2405-8963 J9 IFAC PAPERSONLINE JI IFAC PAPERSONLINE PY 2016 VL 49 IS 7 BP 633 EP 638 DI 10.1016/j.ifacol.2016.07.240 PG 6 GA DT5ES UT WOS:000381504800107 ER PT J AU Chinen, AS Morgan, JC Omell, BP Bhattacharyya, D Miller, DC AF Chinen, Anderson S. Morgan, Joshua C. Omell, Benjamin P. Bhattacharyya, Debangsu Miller, David C. TI Dynamic Data Reconciliation and Model Validation of a MEA-Based CO2 Capture System using Pilot Plant Data SO IFAC PAPERSONLINE LA English DT Proceedings Paper CT 11th IFAC Symposium on Dynamics and Control of Process Systems including Biosystems CY JUN 06-08, 2016 CL Norwegian Univ Sci & Technol, Trondheim, NORWAY SP Int Federat Automat Control, Tech Comm 6 1 Chem Proc Control, Int Federat Automat Control, Tech Comm 8 4 Biosystems & Bioprocesses, Norwegian Univ Sci & Technol, Gemini Ctr PROST Adv Proc Control, SINTEF, Statoil, Norway IFAC NMO HO Norwegian Univ Sci & Technol DE Dynamic modeling; validation; dynamic data reconciliation; MEA solvent modeling; CO2 capture ID VAPOR-LIQUID-EQUILIBRIA; CARBON-DIOXIDE; 30-MASS-PERCENT MONOETHANOLAMINE; AQUEOUS MONOETHANOLAMINE; ABSORBER MODEL; SOLUBILITY; METHYLDIETHANOLAMINE AB This work focuses on development of a "gold standard" process model for a MEA-based post-combustion CO2 capture process. The steady-state model includes a comprehensive thermodynamic framework in conjunction with the chemistry model. Parameters for all thermodynamic, transport,and physical properties models are regressed using extensive data available in the literature. An integrated mass transfer model is developed and validated using experimental data. The steady-state model is validated using data collected from the U.S. DOE's National Carbon Capture Center (NCCC) in Wilsonville, Alabama. In addition to the steady-state runs, dynamic test mns were conducted at NCCC by introducing carefully-designed step changes and recording the transients of all key variables. Due to measurement noise and missing measurements for a number of key variables, a dynamic data reconciliation problem was solved to ensure material and energy balance of the collected data. Both the steady-state and dynamic models were validated against plant data for a wide range of operating conditions. (C) 2016, IFAC (International Federation of Automatic Control) Hosting by Elsevier Ltd. All rights reserved. C1 [Chinen, Anderson S.; Morgan, Joshua C.; Omell, Benjamin P.; Bhattacharyya, Debangsu] West Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. [Miller, David C.] Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. RP Bhattacharyya, D (reprint author), West Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. EM Debangsu.Bhattacharyya@mail.wvu.edu; david.miller@netl.doe.gov NR 25 TC 0 Z9 0 U1 4 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2405-8963 J9 IFAC PAPERSONLINE JI IFAC PAPERSONLINE PY 2016 VL 49 IS 7 BP 639 EP 644 DI 10.1016/j.ifacol.2016.07.244 PG 6 GA DT5ES UT WOS:000381504800108 ER PT J AU Zamar, DS Gopaluni, B Sokhansanj, S Ebadian, M AF Zamar, David S. Gopaluni, Bhushan Sokhansanj, Shahab Ebadian, Mahmood TI Economic Optimization of Sawmill Residues Collection for Bioenergy Conversion SO IFAC PAPERSONLINE LA English DT Proceedings Paper CT 11th IFAC Symposium on Dynamics and Control of Process Systems including Biosystems CY JUN 06-08, 2016 CL Norwegian Univ Sci & Technol, Trondheim, NORWAY SP Int Federat Automat Control, Tech Comm 6 1 Chem Proc Control, Int Federat Automat Control, Tech Comm 8 4 Biosystems & Bioprocesses, Norwegian Univ Sci & Technol, Gemini Ctr PROST Adv Proc Control, SINTEF, Statoil, Norway IFAC NMO HO Norwegian Univ Sci & Technol DE renewable energy systems; routing algorithms; robust estimation; uncertainty; stochastic approximation AB The collection of sawmill residuals is an important logistic activity for the pulp and paper industry, which use the biomass as a source of energy. Vie study a vehicle routing problem for a network composed of a single depot and 25 nearby sawmills in the Lower Mainland region of British Columbia, Canada. The sawmills serve as potential suppliers of residual biomass to the depot, which in turn processes and distributes the sawmill residuals to the pulp and paper mills This problem consists of identifying the best daily routing schedule for a fixed number of vehicles. The objective is to maximize the ratio of residual dry tonnes collected to kilometers traveled, while achieving a minimum daily amount of residual dry mass. There are several random components in the problem, including the availability and moisture content of the residuals as well as the time spent on the road to retrieve the residuals. Vie use a combination of scenario analysis and heuristics to solve this stochastic vehicle routing problem (SPVRP). (C) 2016, IFAC (International Federation of Automatic Control) I lusting by Elsevier Ltd. All rights reserved. C1 [Zamar, David S.; Gopaluni, Bhushan; Sokhansanj, Shahab; Ebadian, Mahmood] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Resource & Engn Syst Grp, Oak Ridge, TN 37831 USA. RP Zamar, DS (reprint author), Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. EM zamar.david@gmail.com; bhushan.gopaluni@ube.ca; shahabs@chbe.ube.ca; mebadian@gmail.com NR 15 TC 0 Z9 0 U1 2 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2405-8963 J9 IFAC PAPERSONLINE JI IFAC PAPERSONLINE PY 2016 VL 49 IS 7 BP 857 EP 862 DI 10.1016/j.ifacol.2016.07.297 PG 6 GA DT5ES UT WOS:000381504800144 ER PT J AU Neumann, A Kaddoura, I Nagel, K AF Neumann, Andreas Kaddoura, Ihab Nagel, Kai TI Mind the Gap - Passenger Arrival Patterns in Multi-agent Simulations SO INTERNATIONAL JOURNAL OF TRANSPORTATION LA English DT Article DE Multi agent simulation; Passenger arrival pattern; Time adaptation; Service reliability; Headway; Multinomial logit; Evolutionary algorithm; KISS principle; Public Transport; MATSim AB In most studies mathematical models are developed finding the expected waiting time to be a function of the headway. These models have in common that the proportion of passengers that arrive randomly at a public transport stop is less as headway in-creases. Since there are several factors of influence, such as social demographic or regional aspects, the reliability of public transport service and the level of passenger information, the threshold headway for the transition from random to coordinated passenger arrivals vary from study to study. This study's objective is to investigate if an agent-based model exhibits realistic passenger arrival behavior at transit stops. This objective is approached by exploring the sensitivity of the agents' arrival behavior towards (1) the degree of learning, (2) the reliability of the experienced transit service, and (3) the service headway. The simulation experiments for a simple transit corridor indicate that the applied model is capable of representing the complex passenger arrival behavior observed in reality. (1) For higher degrees of learning, the agents tend to over-optimize, i.e. they try to obtain the latest possible departure time exact to the second. An approach is presented which increases the diversity in the agents' travel alternatives and results in a more realistic behavior. (2) For a less reliable service the agents' time adaptation changes in that a buffer time is added between their arrival at the stop and the actual departure of the vehicle. (3) For the modification of the headway the simulation outcome is consistent with the literature on arrival patterns. Smaller headways yield a more equally distributed arrival pattern whereas larger headways result in more coordinated arrival patterns. C1 [Neumann, Andreas] Senozon Deutschland GmbH, Schillerstr 112, D-12305 Berlin, Germany. [Kaddoura, Ihab; Nagel, Kai] Tech Univ Berlin, Transport Syst Planning & Transport Telemat, Salzufer 17-19, D-10587 Berlin, Germany. [Nagel, Kai] Los Alamos Natl Lab, Los Alamos, NM USA. RP Neumann, A (reprint author), Senozon Deutschland GmbH, Schillerstr 112, D-12305 Berlin, Germany. EM neumann@senozon.de NR 16 TC 0 Z9 0 U1 1 U2 1 PU SCIENCE & ENGINEERING RESEARCH SUPPORT SOC PI DAEJON PA RM 402, MAN-JE BLDG, 449-8 OJUNG-DONG, DAEDOEK-GU, DAEJON, 00000, SOUTH KOREA SN 2287-7940 J9 INT J TRANSP JI Int. J. Transp. PY 2016 VL 4 IS 1 BP 27 EP 40 DI 10.14257/ijt.2016.4.1.02 PG 14 WC Transportation SC Transportation GA DV2TW UT WOS:000382775600003 ER PT J AU Huang, K Liu, FJ Dai, S AF Huang, Kuan Liu, Fujian Dai, Sheng TI Solvothermal synthesis of hierarchically nanoporous organic polymers with tunable nitrogen functionality for highly selective capture of CO2 SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID CARBON-DIOXIDE CAPTURE; BENZIMIDAZOLE-LINKED POLYMERS; CONJUGATED MICROPOROUS POLYMERS; POROUS POLYMER; GAS-ADSORPTION; SURFACE-AREA; FRAMEWORKS; NETWORKS; PERFORMANCE; SEPARATION AB A series of porous organic polymers (POPs) with tunable nitrogen functionality and hierarchical porosity were successfully synthesized from the one-step copolymerization of divinylbenzene with 4-vinylpyridine or 1-vinylimidazolate under solvothermal conditions. The FTIR results, XPS spectra, and elemental analysis validated the incorporation of different kinds and contents of nitrogen species into the framework-synthesized POPs. The N-2 adsorption isotherms at -196 degrees C and SEM and TEM images revealed that the synthesized POPs have large surface areas and abundant meso-macropores. The CO2 and N-2 adsorption experiments demonstrated that the synthesized POPs have competitive capacity for CO2 at a relatively low pressure of 0.15 bar (0.64-1.47 mmol g(-1) at 0 degrees C and 0.49-0.87 mmol g(-1) at 25 degrees C) and exceptionally high IAST selectivity for CO2/N-2 (0.15/0.85) at 1 bar (74.9-154.8 at 0 degrees C and 91.8-224.5 at 25 degrees C). The CO2/N-2 selectivity is superior to that of most other reported physical adsorbents. This work provides a facile approach to the targeted synthesis of nitrogen-functionalized POPs with potential applications in the selective capture of CO2 from flue gas. C1 [Huang, Kuan; Liu, Fujian] Shaoxing Univ, Coll Chem & Chem Engn, Shaoxing 312000, Zhejiang, Peoples R China. [Huang, Kuan; Liu, Fujian; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Dai, Sheng] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. RP Liu, FJ (reprint author), Shaoxing Univ, Coll Chem & Chem Engn, Shaoxing 312000, Zhejiang, Peoples R China.; Liu, FJ; Dai, S (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.; Dai, S (reprint author), Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. EM fjliu@usx.edu.cn; dais@ornl.gov RI Huang, Kuan/F-7003-2015 OI Huang, Kuan/0000-0003-1905-3017 FU Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0012577]; National Natural Science Foundation of China [21573150, 21203122]; Natural Science Foundation of Zhejiang Province [LY15B030002] FX This work was supported as part of the Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award No. DE-SC0012577. F. L. acknowledges the financial support of the National Natural Science Foundation of China (21573150, 21203122) and the Natural Science Foundation of Zhejiang Province (LY15B030002). NR 54 TC 3 Z9 3 U1 15 U2 18 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 2016 VL 4 IS 34 BP 13063 EP 13070 DI 10.1039/c6ta04851j PG 8 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA DU3KW UT WOS:000382110200006 ER PT J AU Yang, JH Yin, WJ Park, JS Wei, SH AF Yang, Ji-Hui Yin, Wan-Jian Park, Ji-Sang Wei, Su-Huai TI Fast self-diffusion of ions in CH3NH3PbI3: the interstiticaly mechanism versus vacancy-assisted mechanism SO JOURNAL OF MATERIALS CHEMISTRY A LA English DT Article ID PEROVSKITE SOLAR-CELLS; ORGANOMETAL TRIHALIDE PEROVSKITE; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; LEAD-IODIDE; PLANAR-HETEROJUNCTION; HALIDE PEROVSKITES; EFFICIENCY; CH(3)NH(3)PBL(3); SEMICONDUCTORS AB The stability of organic-inorganic halide perovskites is a major challenge for their applications and has been extensively studied. Among the possible underlying reasons, ion self-diffusion has been inferred to play important roles. While theoretical studies congruously support that iodine is more mobile, experimental studies only observe the direct diffusion of the MA ion and possible diffusion of iodine. The discrepancy may result from the incomplete understanding of ion diffusion mechanisms. With the help of first-principles calculations, we studied ion diffusion in CH3NH3PbI3 (MAPbI(3)) through not only the vacancy-assisted mechanisms presumed in previous theoretical studies, but also the neglected interstiticaly mechanisms. We found that compared to the diffusion through the vacancy-assisted mechanism, MA ion diffusion through the interstiticaly mechanism has a much smaller barrier which could explain experimental observations. For iodine diffusion, both mechanisms can yield relatively small barriers. Depending on the growth conditions, defect densities of vacancies and interstitials can vary and so do the diffusion species as well as diffusion mechanisms. Our work thus supports that both MA and iodine ion diffusion could contribute to the performance instability of MAPbI(3). While being congruous with experimental results, our work fills the research gap by providing a full understanding of ion diffusion in halide perovskites. C1 [Yang, Ji-Hui; Park, Ji-Sang] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Yin, Wan-Jian] Soochow Univ, Innovat Ctr Suzhou Nano Sci & Technol, Coll Phys Optoelect & Energy & Collaborat, Suzhou 215006, Peoples R China. [Wei, Su-Huai] Computat Sci Res Ctr, Beijing 100193, Peoples R China. RP Yang, JH (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.; Wei, SH (reprint author), Computat Sci Res Ctr, Beijing 100193, Peoples R China. EM jihuiyang2016@gmail.com; suhuaiwei@csrc.ac.cn FU U.S. Department of Energy, EERE/SunShot program [DE-AC36-08GO28308]; China MOST project [SQ2016YFGX090042] FX This work was funded by the U.S. Department of Energy, EERE/SunShot program, under Contract No. DE-AC36-08GO28308. WJY and SHW are supported by the China MOST project SQ2016YFGX090042. The calculations are done on a peregrine supercomputer and NERSC supercomputer. NR 50 TC 3 Z9 3 U1 12 U2 14 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 2016 VL 4 IS 34 BP 13105 EP 13112 DI 10.1039/c6ta03599j PG 8 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Energy & Fuels; Materials Science GA DU3KW UT WOS:000382110200010 ER PT J AU Wang, ZR Li, XG Zou, Y Tan, JH Fu, XL Liu, J Xiao, CY Dong, HL Jiang, W Liu, F Zhen, YG Wang, ZH Russell, TP Hu, WP AF Wang, Zongrui Li, Xiangguang Zou, Ye Tan, Jiahui Fu, Xiaolong Liu, Jie Xiao, Chengyi Dong, Huanli Jiang, Wei Liu, Feng Zhen, Yonggang Wang, Zhaohui Russell, Thomas P. Hu, Wenping TI Tuning charge transport from unipolar (n-type) to ambipolar in bis(naphthalene diimide) derivatives by introducing pi-conjugated heterocyclic bridging moieties SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID FIELD-EFFECT TRANSISTORS; THIN-FILM TRANSISTORS; ACTIVE-MATRIX DISPLAYS; HIGH-PERFORMANCE; ORGANIC SEMICONDUCTORS; POLYMER SEMICONDUCTORS; NAPHTHALENE DIIMIDES; ELECTRON MOBILITIES; AMORPHOUS-SILICON; RYLENE ARRAYS AB A series of acceptor-donor-acceptor (A-D-A) conjugated molecules based on naphthalene diimide dimers bridged with different pi-conjugated heterocyclic units (NDI-pi-NDI) have been designed and synthesized. By an ingenious design strategy, the LUMO (the lowest unoccupied molecular orbital) of the NDI-based small molecules is well controlled to a relatively constant value of -3.8 to -3.9 eV, whereas their HOMO (the highest occupied molecular orbital) could be tuned over a wide range, from -6.5 eV (compound 1) to -5.5 eV (compound 5), leading to varied band gaps from 2.6 eV to 1.5 eV. Organic field-effect transistor (OFET) characterization of these NDI-pi-NDI molecules shows that compounds 1, 2, and 3 have good n-type semiconducting properties in a N-2 atmosphere with the maximum electron mobilities up to 0.15 cm(2) V-1 s(-1), 0.46 cm(2) V-1 s(-1) and 0.57 cm(2) V-1 s(-1), respectively. Compounds 4 and 5, due to the high-lying HOMO levels and reduced energy band gaps, have ambipolar semiconducting properties and OFETs based on 5 show the highest electron and hole mobilities up to 1.23 cm(2) V-1 s(-1) and 0.0074 cm(2) V-1 s(-1), respectively. Moreover, the performances are enhanced under thermal treatment because of the increased crystallinity as evidenced by X-ray diffraction (XRD) and atomic force microscopy (AFM). The easily tunable electronic energy levels make the NDI-based semiconductors promising n-channel and ambipolar components in organic devices. C1 [Wang, Zongrui; Li, Xiangguang; Zou, Ye; Tan, Jiahui; Fu, Xiaolong; Liu, Jie; Xiao, Chengyi; Dong, Huanli; Jiang, Wei; Zhen, Yonggang; Wang, Zhaohui; Hu, Wenping] Chinese Acad Sci, Beijing Natl Lab Mol Sci, Organ Solids Lab, Inst Chem, Beijing 100190, Peoples R China. [Wang, Zongrui; Fu, Xiaolong; Xiao, Chengyi] Univ Chinese Acad Sci, Beijing 100049, Peoples R China. [Liu, Jie; Hu, Wenping] Tianjin Univ, Key Lab Mol Optoelect Sci, Sch Sci, Tianjin 300072, Peoples R China. [Liu, Jie; Hu, Wenping] Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300072, Peoples R China. [Dong, Huanli] Capital Normal Univ, Dept Chem, Beijing 100048, Peoples R China. [Liu, Feng; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Liu, Feng; Russell, Thomas P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Dong, HL; Jiang, W; Wang, ZH; Hu, WP (reprint author), Chinese Acad Sci, Beijing Natl Lab Mol Sci, Organ Solids Lab, Inst Chem, Beijing 100190, Peoples R China.; Hu, WP (reprint author), Tianjin Univ, Key Lab Mol Optoelect Sci, Sch Sci, Tianjin 300072, Peoples R China.; Hu, WP (reprint author), Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300072, Peoples R China.; Dong, HL (reprint author), Capital Normal Univ, Dept Chem, Beijing 100048, Peoples R China.; Liu, F; Russell, TP (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.; Liu, F; Russell, TP (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM dhl522@iccas.ac.cn; jiangwei@iccas.ac.cn; iamfengliu@gmail.com; wangzhaohui@iccas.ac.cn; tom.p.russell@gmail.com; huwp@iccas.ac.cn RI Wang, Zhaohui/E-2326-2012 OI Wang, Zhaohui/0000-0001-5786-5660 FU National Natural Science Foundation of China [91222203, 91233205, 51222306, 61201105, 51261130582, 91433115, 51303185, 21473222]; Ministry of Science and Technology of China [2011CB808400, 2011CB932300, 2013CB933400, 2013CB933500]; Beijing NOVA Programme [Z131101000413038]; Chinese Academy of Sciences [XDB12010100]; U.S. Office of Naval Research [N00014-15-1-2244]; DOE, Office of Science, and Office of Basic Energy Sciences FX The authors acknowledge the financial support from National Natural Science Foundation of China (91222203, 91233205, 51222306, 61201105, 51261130582, 91433115, 51303185, and 21473222), the Ministry of Science and Technology of China (2011CB808400, 2011CB932300, 2013CB933400, and 2013CB933500), Beijing NOVA Programme (Z131101000413038) and the Chinese Academy of Sciences (XDB12010100). FL and TPR were supported by the U.S. Office of Naval Research under contract N00014-15-1-2244. Part of this research was 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. The authors also acknowledge Christopher R. McNeill in Monash University for the experimental support. NR 60 TC 1 Z9 1 U1 39 U2 44 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 2016 VL 4 IS 30 BP 7230 EP 7240 DI 10.1039/c6tc01769j PG 11 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA DT4FB UT WOS:000381434400006 ER PT J AU Ndione, PF Li, Z Zhu, K AF Ndione, Paul F. Li, Zhen Zhu, Kai TI Effects of alloying on the optical properties of organic-inorganic lead halide perovskite thin films SO JOURNAL OF MATERIALS CHEMISTRY C LA English DT Article ID HETEROJUNCTION SOLAR-CELLS; LIGHT-EMITTING-DIODES; SINGLE-CRYSTAL; EFFICIENT; PERFORMANCE; FORMAMIDINIUM; METHYLAMMONIUM; TRIHALIDE; CH3NH3PBI3; ABSORBER AB Complex refractive index and dielectric function spectra of organic-inorganic lead halide perovskite alloy thin films are presented, together with the critical-point parameter analysis (energy and broadening) of the respective composition. Thin films of methylammonium lead halide alloys (MAPbI(3), MAPbBr(3), MAPbBr(2)I, and MAPbBrI(2)), formamidinium lead halide alloys (FAPbI(3), FAPbBr(3), and FAPbBr(2)I), and formamidinium cesium lead halide alloys [FA(0.85)Cs(0.15)PbI(3), FA(0.85)Cs(0.15)PbBrI(2), and FA(0.85)Cs(0.15)Pb(Br0.4I0.6)(3)] were studied. The complex refractive index and dielectric functions were determined by spectroscopic ellipsometry (SE) in the photon energy range of 0.7-6.5 eV. Critical point energies and optical transitions were obtained by lineshape fitting to the second-derivative of the complex dielectric function data of these thin films as a function of alloy composition. Absorption onset in the vicinity of the bandgap, as well as critical point energies and optical band transition shift toward higher energies as the concentration of Br in the films increases. Cation alloying (Cs+) has less effect on the optical properties of the thin films compared to halide mixed alloys. The reported optical properties can help to understand the fundamental properties of the perovskite materials and also be used for optimizing or designing new devices. C1 [Ndione, Paul F.; Li, Zhen; Zhu, Kai] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Ndione, PF; Zhu, K (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM Paul.Ndione@nrel.gov; Kai.Zhu@nrel.gov OI Li, Zhen/0000-0003-1177-2818 FU U.S. Department of Energy [DE-AC36-08-GO28308]; hybrid perovskite solar cell program of the National Center for Photovoltaics - U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Solar Energy Technologies Office FX The work at the National Renewable Energy Laboratory is supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308. We acknowledge the support by the hybrid perovskite solar cell program of the National Center for Photovoltaics funded by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Solar Energy Technologies Office. NR 46 TC 1 Z9 1 U1 19 U2 20 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 2016 VL 4 IS 33 BP 7775 EP 7782 DI 10.1039/c6tc02135b PG 8 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA DU2DI UT WOS:000382020800009 ER PT B AU Ligeti, Z AF Ligeti, Zoltan BE Dixon, L Petriello, F TI TASI Lectures on Flavor Physics SO JOURNEYS THROUGH THE PRECISION FRONTIER: AMPLITUDES FOR COLLIDERS (TASI 2014) LA English DT Proceedings Paper CT Conference of the Theoretical-Advanced-Study-Institute (TASI)in Elementary Particle Physics CY JUN 02-27, 2014 CL Boulder, CO SP Theoret Adv Study Inst ID EFFECTIVE-FIELD-THEORY; CP VIOLATION; HEAVY QUARKS; CKM MATRIX; B-DECAYS; ISOSPIN ANALYSIS; STANDARD MODEL; SEMILEPTONIC-B; MESONS; ASYMMETRIES C1 [Ligeti, Zoltan] Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ligeti, Z (reprint author), Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM ligeti@berkeley.edu NR 70 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-9-81-467876-6; 978-9-81-467875-9 PY 2016 BP 297 EP 340 PG 44 WC Physics, Particles & Fields SC Physics GA BF5IQ UT WOS:000382056700006 ER PT J AU Xiao, WP Zhu, J Han, LL Liu, SF Wang, J Wu, ZX Lei, W Xuan, CJ Xin, HLL Wang, DL AF Xiao, Weiping Zhu, Jing Han, Lili Liu, Sufen Wang, Jie Wu, Zexing Lei, Wen Xuan, Cuijuan Xin, Huolin L. Wang, Deli TI Pt skin on Pd-Co-Zn/C ternary nanoparticles with enhanced Pt efficiency toward ORR SO NANOSCALE LA English DT Article ID OXYGEN REDUCTION REACTION; BY-LAYER DEPOSITION; FUEL-CELLS; CATALYSTS; ALLOY; ELECTROCATALYSTS; NANOCRYSTALS; PERFORMANCE; DURABILITY; MONOLAYER AB Exploring highly active, stable and relatively low-cost nanomaterials for the oxygen reduction reaction (ORR) is of vital importance for the commercialization of proton exchange membrane fuel cells (PEMFCs). Herein, a highly active, durable, carbon supported, and monolayer Pt coated Pd-Co-Zn nanoparticle is synthesized via a simple impregnation-reduction method, followed by spontaneous displacement of Pt. By tuning the atomic ratios, we obtain the composition-activity volcano curve for the Pd-Co-Zn nanoparticles and determined that Pd : Co : Zn = 8 : 1 : 1 is the optimal composition. Compared with pure Pd/C, the Pd8CoZn/C nanoparticles show a substantial enhancement in both the catalytic activity and the durability toward the ORR. Moreover, the durability and activity are further enhanced by forming a Pt skin on Pd8CoZn/C nanocatalysts. Interestingly, after 10 000 potential cycles in N-2-saturated 0.1 M HClO4 solution, Pd8CoZn@Pt/C shows improved mass activity (2.62 A mg(Pt)(-1)) and specific activity (4.76 A m(total)(-2) ), which are about 1.4 and 4.4 times higher than the initial values, and 37.4 and 5.5 times higher than those of Pt/C catalysts, respectively. After accelerated stability testing in O-2-saturated 0.1 M HClO4 solution for 30 000 potential cycles, the half-wave potential negatively shifts about 6 mV. The results show that the Pt skin plays an important role in enhancing the activity as well as preventing degradation. C1 [Xiao, Weiping; Zhu, Jing; Liu, Sufen; Wang, Jie; Wu, Zexing; Lei, Wen; Xuan, Cuijuan; Wang, Deli] Huazhong Univ Sci & Technol, Key Lab Mat Chem Energy Convers & Storage, Hubei Key Lab Mat Chem & Serv Failure, Minist Educ,Sch Chem & Chem Engn, Wuhan 430074, Peoples R China. [Han, Lili; Xin, Huolin L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Wang, DL (reprint author), Huazhong Univ Sci & Technol, Key Lab Mat Chem Energy Convers & Storage, Hubei Key Lab Mat Chem & Serv Failure, Minist Educ,Sch Chem & Chem Engn, Wuhan 430074, Peoples R China. EM wangdl81125@hust.edu.cn RI Wang, Deli/K-5029-2012; Wang, Jie/H-3638-2015 OI Wang, Jie/0000-0002-7188-3053 FU National Natural Science Foundation [21306060, 21573083]; Program for New Century Excellent Talents in Universities of China [NCET-13-0237]; Doctoral Fund of Ministry of Education of China [20130142120039]; Fundamental Research Funds for the Central University [2013TS136, 2014YQ009]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0012704] FX This work was supported by the National Natural Science Foundation (21306060, 21573083), the Program for New Century Excellent Talents in Universities of China (NCET-13-0237), the Doctoral Fund of Ministry of Education of China (20130142120039), the Fundamental Research Funds for the Central University (2013TS136, 2014YQ009). We thank the Analytical and Testing Center of Huazhong University of Science and Technology for allowing us to use its facilities. S/TEM work was carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under contract no. DE-SC0012704. NR 29 TC 0 Z9 0 U1 17 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 2016 VL 8 IS 31 BP 14793 EP 14802 DI 10.1039/c6nr03944h PG 10 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DT4ID UT WOS:000381442500012 PM 27445114 ER PT J AU Koenigsmann, C Ding, WD Koepf, M Batra, A Venkataraman, L Negre, CFA Brudvig, GW Crabtree, RH Batista, VS Schmuttenmaer, CA AF Koenigsmann, Christopher Ding, Wendu Koepf, Matthieu Batra, Arunabh Venkataraman, Latha Negre, Christian F. A. Brudvig, Gary W. Crabtree, Robert H. Batista, Victor S. Schmuttenmaer, Charles A. TI Structure-function relationships in single molecule rectification by N-phenylbenzamide derivatives SO NEW JOURNAL OF CHEMISTRY LA English DT Article ID JUNCTION CONDUCTANCE; RECTIFIERS; TRANSPORT; ELECTRODES; DIODES; AMIDE; CONFORMATION; SPECTROSCOPY; DESIGN; RATIOS AB We examine structure-function relationships in a series of N-phenylbenzamide ( NPBA) derivatives by using computational modeling to identify molecular structures that exhibit both rectification and good conductance together with experimental studies of bias-dependent single molecule conductance and rectification behavior using the scanning tunneling microscopy break-junction technique. From a large number of computationally screened molecular diode structures, we have identified NPBA as a promising candidate, relative to the other structures that were screened. We demonstrate experimentally that conductance and rectification are both enhanced by functionalization of the NPBA 4-carboxamido-aniline moiety with electron donating methoxy groups, and are strongly correlated with the energy of the conducting frontier orbital relative to the Fermi level of the gold leads used in break-junction experiments. C1 [Koenigsmann, Christopher; Ding, Wendu; Koepf, Matthieu; Negre, Christian F. A.; Brudvig, Gary W.; Crabtree, Robert H.; Batista, Victor S.; Schmuttenmaer, Charles A.] Yale Univ, Yale Energy Sci Inst, POB 27394, West Haven, CT 06516 USA. [Koenigsmann, Christopher] Fordham Univ, Dept Chem, 441 East Fordham Rd, Bronx, NY 10458 USA. [Ding, Wendu; Brudvig, Gary W.; Crabtree, Robert H.; Batista, Victor S.; Schmuttenmaer, Charles A.] Yale Univ, Dept Chem, POB 208107, New Haven, CT 06520 USA. [Batra, Arunabh; Venkataraman, Latha] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Negre, Christian F. A.] Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM USA. RP Negre, CFA; Brudvig, GW; Crabtree, RH; Batista, VS; Schmuttenmaer, CA (reprint author), Yale Univ, Yale Energy Sci Inst, POB 27394, West Haven, CT 06516 USA.; Brudvig, GW; Crabtree, RH; Batista, VS; Schmuttenmaer, CA (reprint author), Yale Univ, Dept Chem, POB 208107, New Haven, CT 06520 USA.; Venkataraman, L (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.; Negre, CFA (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM USA. EM lv2117@columbia.edu; cnegre@lanl.gov; gary.brudvig@yale.edu; robert.crabtree@yale.edu; victor.batista@yale.edu; charles.schmuttenmaer@yale.edu OI Venkataraman, Latha/0000-0002-6957-6089 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-FG02-07ER15909, DE-SC0001059]; National Science Foundation [CNS 08-21132]; Packard Foundation; NSF GRFP Grant [DGE-07-07425] FX This work was funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-FG02-07ER15909 and a generous gift from the TomKat Charitable Trust. Computational methods development (V. S. B.) were supported as part of the Argonne-Northwestern Solar Energy Research (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 no. DE-SC0001059, using computational resources from NERSC and from the Yale University Faculty of Arts and Sciences High Performance Computing Center partially, funded by the National Science Foundation grant CNS 08-21132. L. V. thanks the Packard Foundation for support. A. B. was supported by the NSF GRFP Grant No. DGE-07-07425. We also acknowledge the Yale West Campus Analytical Core for providing access to NMR spectrometers, and thank Dr Terence Wu for assistance with the high-resolution mass spectrometry. NR 48 TC 1 Z9 1 U1 5 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1144-0546 EI 1369-9261 J9 NEW J CHEM JI New J. Chem. PY 2016 VL 40 IS 9 BP 7373 EP 7378 DI 10.1039/c6nj00870d PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA DV3KG UT WOS:000382820000019 ER PT J AU Bruillard, P AF Bruillard, Paul TI Rank 4 premodular categories SO NEW YORK JOURNAL OF MATHEMATICS LA English DT Article DE Premodular categories; fusion categories ID FROBENIUS-SCHUR INDICATORS; FUSION CATEGORIES; MODULAR CATEGORIES AB We consider the classification problem for rank 4 premodular categories. We uncover a formula for the 2nd Frobenius-Schur indicator of a premodular category, and complete the classification of rank 4 premodular categories (up to Grothendieck equivalence). In the appendix we show rank finiteness for premodular categories. C1 [Bruillard, Paul] Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA USA. RP Bruillard, P (reprint author), Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA USA. EM Paul.Bruillard@pnnl.gov NR 28 TC 0 Z9 0 U1 0 U2 0 PU ELECTRONIC JOURNALS PROJECT PI ALBANY PA UNIV ALBANY, DEPT MATHEMATICS & SCIENCE, ALBANY, NY 12222 USA SN 1076-9803 J9 NEW YORK J MATH JI N. Y. J. Math. PY 2016 VL 22 BP 775 EP 800 PG 26 WC Mathematics SC Mathematics GA DV9UM UT WOS:000383287700002 ER PT J AU Zhang, GH Yi, H Xin, J Deng, Y Bai, RP Huang, ZL Miller, JT Kropf, AJ Bunel, EE Qi, XT Lan, Y Lei, AW AF Zhang, Guanghui Yi, Hong Xin, Jie Deng, Yi Bai, Ruopeng Huang, Zhiliang Miller, Jeffrey T. Kropf, A. Jeremy Bunel, Emilio E. Qi, Xiaotian Lan, Yu Lei, Aiwen TI Aromatic C-H bond cleavage by using a Cu(I) ate-complex SO ORGANIC CHEMISTRY FRONTIERS LA English DT Article ID COPPER-CATALYZED OXIDATION; X-RAY-ABSORPTION; ORGANIC-CHEMICALS; OXIDASE CATALYSIS; TERMINAL ALKYNES; PALLADIUM; O-2; FUNCTIONALIZATIONS; HETEROARENES; OXYGEN AB In situ X-ray absorption spectroscopy (XAS), infrared (IR) and nuclear magnetic resonance (NMR) techniques were used to identify the structures and reactivity of copper-containing active intermediates in the sp(2) C-H bond cleavage reaction of electron-deficient aromatics. An ate-complex [Cu((OBu)-Bu-t)(2)] Na was found to be able to cleave the C-H bond of benzothiazole (ArH) producing [ArCuI((OBu)-Bu-t)] Na with a rate constant of 3.2 x 10(-2) mol(-1) L s(-1) at -50 degrees C and with an activation enthalpy of 0.73 kcal mol(-1) at room temperature. C1 [Zhang, Guanghui; Yi, Hong; Xin, Jie; Deng, Yi; Bai, Ruopeng; Huang, Zhiliang; Lei, Aiwen] Wuhan Univ, Coll Chem & Mol Sci, Inst Adv Studies, Wuhan 430072, Hubei, Peoples R China. [Miller, Jeffrey T.; Kropf, A. Jeremy; Bunel, Emilio E.; Lei, Aiwen] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Miller, Jeffrey T.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. [Qi, Xiaotian; Lan, Yu] Chongqing Univ, Sch Chem & Chem Engn, Chongqing 400030, Peoples R China. [Lei, Aiwen] Chinese Acad Sci, Shanghai Inst Organ Chem, State Key Lab Organometall Chem, Shanghai 200032, Peoples R China. RP Lei, AW (reprint author), Wuhan Univ, Coll Chem & Mol Sci, Inst Adv Studies, Wuhan 430072, Hubei, Peoples R China.; Lei, AW (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.; Lei, AW (reprint author), Chinese Acad Sci, Shanghai Inst Organ Chem, State Key Lab Organometall Chem, Shanghai 200032, Peoples R China. EM aiwenlei@whu.edu.cn RI Zhang, Guanghui/C-4747-2008; Lan, Yu/A-8146-2016; OI Zhang, Guanghui/0000-0002-5854-6909; Bai, Ruopeng/0000-0002-1097-8526 FU 973 Program [2012CB725302]; National Natural Science Foundation of China [21390400, 21520102003, 21272180, 21302148]; Hubei Province Natural Science Foundation of China [2013CFA081]; 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; Chemical Sciences and Engineering Division, Argonne National Laboratory FX This work was supported by the 973 Program (2012CB725302), the National Natural Science Foundation of China (21390400, 21520102003, 21272180 and 21302148), the Hubei Province Natural Science Foundation of China (2013CFA081), 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. This work was also funded by the Chemical Sciences and Engineering Division, Argonne National Laboratory. NR 30 TC 0 Z9 0 U1 10 U2 11 PU CHINESE CHEMICAL SOC PI TAIPEI PA PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN SN 2052-4129 J9 ORG CHEM FRONT JI Org. Chem. Front. PY 2016 VL 3 IS 8 BP 975 EP 978 DI 10.1039/c6qo00201c PG 4 WC Chemistry, Organic SC Chemistry GA DU8YU UT WOS:000382503500011 ER PT S AU Jacobs, CB Ievlev, AV Collins, LF Muckley, ES Joshi, PC Ivanov, IN AF Jacobs, Christopher B. Ievlev, Anton V. Collins, Liam F. Muckley, Eric S. Joshi, Pooran C. Ivanov, Ilia N. BE Teherani, FH Look, DC Rogers, DJ TI Spatially resolved resistance of NiO nanostructures under humid environment SO OXIDE-BASED MATERIALS AND DEVICES VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Oxide-Based Materials and Devices VII CY FEB 14-17, 2016 CL San Francisco, CA SP SPIE DE Nickel oxide; humidity; local conductivity; KPFM; conductive AFM ID PROBE FORCE MICROSCOPY; THIN-FILMS; ELECTRONIC-STRUCTURE; OXIDE SURFACES; ADSORPTION; NIO(100); NIO(111); NI(111); WATER AB The spatially resolved electrical response of polycrystalline NiO films composed of 40 nm crystallites was investigated under different relative humidity levels (RH). The topological and electrical properties (surface potential and resistance) were characterized with sub 25nm resolution using Kelvin probe force microscopy (KPFM) and conductive scanning probe microscopy under argon atmosphere at 0%, 50%, and 80% relative humidity. The dimensionality of surface features obtained through autocorrelation analysis of topological maps increased linearly with increased relative humidity, as water was adsorbed onto the film surface. Surface potential decreased from about 280mV to about 100 mV and resistance decreased from about 5 GO to about 3 GO, in a nonlinear fashion when relative humidity was increased from 0% to 80%. Spatially resolved surface potential and resistance of the NiO films was found to be heterogeneous throughout the film, with distinct domains that grew in size from about 60 nm to 175 nm at 0% and 80% RH levels, respectively. The heterogeneous character of the topological, surface potential, and resistance properties of the polycrystalline NiO film observed under dry conditions decreased with increased relative humidity, yielding nearly homogeneous surface properties at 80% RH, suggesting that the nanoscale potential and resistance properties converge with the mesoscale properties as water is adsorbed onto the NiO film. C1 [Jacobs, Christopher B.; Ievlev, Anton V.; Collins, Liam F.; Muckley, Eric S.; Ivanov, Ilia N.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37832 USA. [Joshi, Pooran C.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37832 USA. RP Jacobs, CB; Ivanov, IN (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37832 USA. EM jacobscb@ornl.gov; ivanovin@ornl.gov RI ivanov, ilia/D-3402-2015; OI ivanov, ilia/0000-0002-6726-2502; Jacobs, Christopher/0000-0001-7906-6368; Muckley, Eric/0000-0001-7114-5424 NR 19 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 978-1-62841-984-9 J9 PROC SPIE PY 2016 VL 9749 AR UNSP 97491Q DI 10.1117/12.2214459 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA BF6DJ UT WOS:000382989200026 ER PT S AU Husko, C Blanco-Redondo, A Lefrancois, S Eggleton, BJ Krauss, TF Wulf, M Kuipers, LK Wong, CW Combrie, S De Rossi, A Colman, P AF Husko, Chad Blanco-Redondo, Andrea Lefrancois, Simon Eggleton, Benjamin J. Krauss, Thomas F. Wulf, Matthias Kuipers, L. Kobus Wong, Chee Wei Combrie, Sylvain De Rossi, Alfredo Colman, Pierre BE Gerace, D Lozano, G Monat, C Romanov, SG TI Soliton dynamics in semiconductor photonic crystals SO PHOTONIC CRYSTAL MATERIALS AND DEVICES XII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Photonic Crystal Materials and Devices XII CY APR 05-07, 2016 CL Brussels, BELGIUM SP SPIE, Brussels Photon Team, Res Fdn Flanders, Visit Brussels DE photonic crystals; solitons; nonlinear optics; integrated optics; semiconductor optics; nanophotonics ID SELF-PHASE MODULATION; SILICON WAVE-GUIDES; OPTICAL SOLITONS; PULSES; PROPAGATION; ABSORPTION; FIBERS AB Semiconductor optical waveguides have been the subject of intense study as both fundamental objects of study, as well as a path to photonic integration. In this talk I will focus on the nonlinear evolution of optical solitons in photonic crystal waveguides made of semiconductor materials. The ability to independently tune the dispersion and the nonlinearity in photonic crystal waveguides enables the examination of completely different nonlinear regimes in the same platform. I will describe experimental efforts utilizing time-resolved measurements to reveal a number of physical phenomena unique to solitons in a free carrier medium. The experiments are supported by analytic and numerical models providing a deeper insight into the physical scaling of these processes. C1 [Husko, Chad] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Blanco-Redondo, Andrea; Lefrancois, Simon; Eggleton, Benjamin J.] Univ Sydney, Sch Phys, IPOS, Ctr Ultrahigh Bandwidth Devices Opt Syst CUDOS, Sydney, NSW 2006, Australia. [Krauss, Thomas F.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. [Wulf, Matthias; Kuipers, L. Kobus] FOM Inst AMOLF, Ctr Nanophoton, Sci Pk 104, NL-1098 XG Amsterdam, Netherlands. [Wong, Chee Wei] Univ Calif Los Angeles, Mesoscop Opt & Quantum Elect Lab, Los Angeles, CA 90095 USA. [Combrie, Sylvain; De Rossi, Alfredo] Thales Res & Technol, 1 Av A Fresnel 128, F-91767 Palaiseau, France. [Colman, Pierre] Univ Paris 11, IEF, Orsay, France. RP Husko, C (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. EM chusko@anl.gov NR 27 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 978-1-5106-0130-7 J9 PROC SPIE PY 2016 VL 9885 AR UNSP 98850I DI 10.1117/12.2231199 PG 7 WC Materials Science, Multidisciplinary; Optics; Physics, Applied SC Materials Science; Optics; Physics GA BF6DR UT WOS:000382992800010 ER PT S AU Ramanathan, A Pullum, LL Hussain, F Chakrabarty, D Jha, SK AF Ramanathan, Arvind Pullum, Laura L. Hussain, Faraz Chakrabarty, Dwaipayan Jha, Sumit Kumar GP IEEE TI Integrating Symbolic and Statistical Methods for Testing Intelligent Systems Applications to Machine Learning and Computer Vision SO PROCEEDINGS OF THE 2016 DESIGN, AUTOMATION & TEST IN EUROPE CONFERENCE & EXHIBITION (DATE) SE Design, Automation, and Test in Europe Conference and Exhibition LA English DT Proceedings Paper CT Design, Automation and Test in Europe Conference and Exhibition (DATE) CY MAR 14-18, 2016 CL Dresden, GERMANY SP Tech Univ Dresden, Cisco, DREWAG, Univ Frankfurt Main, Aeneas, imec, OFFIS, Penta, Systematic, Synopsys, Mentor Graph, XFAB, MathWorks, Imagination AB Embedded intelligent systems ranging from tiny implantable biomedical devices to large swarms of autonomous unmanned aerial systems are becoming pervasive in our daily lives. While we depend on the flawless functioning of such intelligent systems, and often take their behavioral correctness and safety for granted, it is notoriously difficult to generate test cases that expose subtle errors in the implementations of machine learning algorithms. Hence, the validation of intelligent systems is usually achieved by studying their behavior on representative data sets, using methods such as cross-validation and bootstrapping. In this paper, we present a new testing methodology for studying the correctness of intelligent systems. Our approach uses symbolic decision procedures coupled with statistical hypothesis testing to validate machine learning algorithms. We show how we have employed our technique to successfully identify subtle bugs (such as bit flips) in implementations of the k-means algorithm. Such errors are not readily detected by standard validation methods such as randomized testing. We also use our algorithm to analyze the robustness of a human detection algorithm built using the OpenCV open-source computer vision library. We show that the human detection implementation can fail to detect humans in perturbed video frames even when the perturbations are so small that the corresponding frames look identical to the naked eye. C1 [Ramanathan, Arvind; Pullum, Laura L.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Hussain, Faraz; Chakrabarty, Dwaipayan; Jha, Sumit Kumar] Univ Cent Florida, Dept Comp Sci, Orlando, FL 32816 USA. RP Ramanathan, A (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. EM ramanathana@ornl.gov; pullumll@ornl.gov; fhussain@cs.ucf.edu; dchakra@cs.ucf.edu; jha@cs.ucf.edu NR 30 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1530-1591 BN 978-3-9815-3707-9 J9 DES AUT TEST EUROPE PY 2016 BP 786 EP 791 PG 6 WC Automation & Control Systems; Engineering, Electrical & Electronic SC Automation & Control Systems; Engineering GA BF5WE UT WOS:000382679200143 ER PT S AU Li, A Song, SL Kumar, A Zhang, EZ Chavarria-Miranda, D Corporaal, H AF Li, Ang Song, Shuaiwen Leon Kumar, Akash Zhang, Eddy Z. Chavarria-Miranda, Daniel Corporaal, Henk GP IEEE TI Critical Points Based Register-Concurrency Autotuning for GPUs SO PROCEEDINGS OF THE 2016 DESIGN, AUTOMATION & TEST IN EUROPE CONFERENCE & EXHIBITION (DATE) SE Design, Automation, and Test in Europe Conference and Exhibition LA English DT Proceedings Paper CT Design, Automation and Test in Europe Conference and Exhibition (DATE) CY MAR 14-18, 2016 CL Dresden, GERMANY SP Tech Univ Dresden, Cisco, DREWAG, Univ Frankfurt Main, Aeneas, imec, OFFIS, Penta, Systematic, Synopsys, Mentor Graph, XFAB, MathWorks, Imagination AB The unprecedented prevalence of GPGPU is largely attributed to its abundant on-chip register resources, which allow massively concurrent threads and extremely fast context switch. However, due to internal memory size constraints, there is a tradeoff between the per-thread register usage and the overall thread concurrency. This becomes a design problem in terms of performance tuning, since the performance "sweet spot" which can be significantly affected by these two factors is generally unknown beforehand. In this paper, we propose an effective autotuning solution to quickly and efficiently select the optimal number of registers per-thread for delivering the best GPU performance. Experiments on three generations of GPUs (Nvidia Fermi, Kepler and Maxwell) demonstrate that our simple strategy can achieve an average of 10% performance improvement while a max of 50% over the original version without modifying the user code. Additionally, to reduce local cache misses due to register spilling and further improve performance, we explore three optimization schemes (i.e. bypass L1 for global memory access, enlarge local L1 cache and spill into shared memory) and discuss their impact on performance on a Kepler GPU. C1 [Li, Ang; Corporaal, Henk] Eindhoven Univ Technol, NL-5600 MB Eindhoven, Netherlands. [Song, Shuaiwen Leon; Chavarria-Miranda, Daniel] Pacific Northwest Natl Lab, Richland, WA 99352 USA. [Kumar, Akash] Tech Univ Dresden, Ctr Adv Elect Dresden, Dresden, Germany. [Zhang, Eddy Z.] State Univ New Jersey, New Brunswick, NJ USA. RP Li, A (reprint author), Eindhoven Univ Technol, NL-5600 MB Eindhoven, Netherlands. EM ang.li@tue.nl; shuaiwen.song@pnnl.gov; akash.kumar@tu-dresden.de; eddy.zhengzhang@cs.rutgers.edu; daniel.chavarria@pnnl.gov; corporaal@tue.nl NR 12 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1530-1591 BN 978-3-9815-3707-9 J9 DES AUT TEST EUROPE PY 2016 BP 1273 EP 1278 PG 6 WC Automation & Control Systems; Engineering, Electrical & Electronic SC Automation & Control Systems; Engineering GA BF5WE UT WOS:000382679200236 ER PT S AU Tung, TH Shambayati, A Chien, AA AF Tung Thanh-Hoang Shambayati, Amirali Chien, Andrew A. GP IEEE TI A Data Layout Transformation (DLT) Accelerator: Architectural support for data movement optimization in accelerated-centric heterogeneous systems SO PROCEEDINGS OF THE 2016 DESIGN, AUTOMATION & TEST IN EUROPE CONFERENCE & EXHIBITION (DATE) SE Design, Automation, and Test in Europe Conference and Exhibition LA English DT Proceedings Paper CT Design, Automation and Test in Europe Conference and Exhibition (DATE) CY MAR 14-18, 2016 CL Dresden, GERMANY SP Tech Univ Dresden, Cisco, DREWAG, Univ Frankfurt Main, Aeneas, imec, OFFIS, Penta, Systematic, Synopsys, Mentor Graph, XFAB, MathWorks, Imagination AB Technology scaling and growing use of accelerators make optimization of data movement of increasing importance in all computing systems. Further, growing diversity in memory structures makes embedding such optimization in software non-portable. We propose a novel architectural solution called Data Layout Transformation (DLT) associated with a simple set of instructions that enable software to describe the required data movement compactly, and free the implementation to optimize the movement based on the knowledge of the memory hierarchy and system structure. The DLT architecture ideas can be applicable to both general-purpose and accelerator-based heterogeneous systems. Experiment results first show that the proposed DLT architecture can make use of the full bandwidth (>97%) of a wide range of memory systems (DDR3 and HMC) while its implementation cost is relatively low, occupying only 0.24 mm 2 and consuming 75mW at 1GHz in 32nm CMOS technology. Our evaluation of using the DLT accelerator in accelerated-based heterogeneous system across DDR3 and HMC memory shows that the DLT can enhance system performance in range of 4.6x-99x (DDR3), 4.4x-115x (HMC) which turns out 2.8x-48x (DDR3), 1.4x-39x (HMC) improvement for energy efficiency. C1 [Tung Thanh-Hoang; Shambayati, Amirali; Chien, Andrew A.] Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. [Chien, Andrew A.] Argonne Natl Lab, Chicago, IL USA. RP Tung, TH (reprint author), Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. EM hoangt@cs.uchicago.edu; amirali@cs.uchicago.edu; achien@cs.uchicago.edu NR 17 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1530-1591 BN 978-3-9815-3707-9 J9 DES AUT TEST EUROPE PY 2016 BP 1489 EP 1492 PG 4 WC Automation & Control Systems; Engineering, Electrical & Electronic SC Automation & Control Systems; Engineering GA BF5WE UT WOS:000382679200277 ER PT S AU Nie, B Tiwari, D Gupta, S Smirni, E Rogers, JH AF Nie, Bin Tiwari, Devesh Gupta, Saurabh Smirni, Evgenia Rogers, James H. GP IEEE TI A Large-Scale Study of Soft-Errors on GPUs in the Field SO PROCEEDINGS OF THE 2016 IEEE INTERNATIONAL SYMPOSIUM ON HIGH-PERFORMANCE COMPUTER ARCHITECTURE (HPCA-22) SE International Symposium on High-Performance Computer Architecture-Proceedings LA English DT Proceedings Paper CT 22nd IEEE International Symposium on High-Performance Computer Architecture (HPCA) CY MAR 12-16, 2016 CL Barcelona, SPAIN SP IEEE, IEEE Comp Soc, NSF, UPC, IBM, Intel, ARM, Microsoft Res, Oracle Labs, Qualcomm, Gobierno Espana, Ministerio, Economia Competitividad ID SYSTEM; LOGS AB Parallelism provided by the GPU architecture has enabled domain scientists to simulate physical phenomena at a much faster rate and finer granularity than what was previously possible by CPU-based large-scale clusters. Architecture researchers have been investigating reliability characteristics of GPUs and innovating techniques to increase the reliability of these emerging computing devices. Such efforts are often guided by technology projections and simplistic scientific kernels, and performed using architectural simulators and modeling tools. Lack of large-scale field data impedes the effectiveness of such efforts. This study attempts to bridge this gap by presenting a large-scale field data analysis of GPU reliability. We characterize and quantify different kinds of soft-errors on the Titan supercomputer's GPU nodes. Our study uncovers several interesting and previously unknown insights about the characteristics and impact of soft-errors. C1 [Nie, Bin; Smirni, Evgenia] Coll William & Mary, Williamsburg, VA 23187 USA. [Tiwari, Devesh; Gupta, Saurabh; Rogers, James H.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Nie, B (reprint author), Coll William & Mary, Williamsburg, VA 23187 USA. NR 32 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1530-0897 BN 978-1-4673-9211-2 J9 INT S HIGH PERF COMP PY 2016 BP 519 EP 530 PG 12 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5AC UT WOS:000381808200043 ER PT S AU Aydt, AP Blair, S Zhang, HR Chernomordik, BD Beard, MC Berezin, MY AF Aydt, Alexander P. Blair, Shane Zhang, Hairong Chernomordik, Boris D. Beard, Matthew C. Berezin, Mikhail Y. BE Achilefu, S Raghavachari, R TI Synthesis and spectroscopic evaluation of PbS quantum dots emitting at 1300 nm for optimized imaging in optical window II SO REPORTERS, MARKERS, DYES, NANOPARTICLES, AND MOLECULAR PROBES FOR BIOMEDICAL APPLICATIONS VIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications VIII CY FEB 15-16, 2016 CL San Francisco, CA SP Boston Elect Corp DE Quantum Dots; Near-Infrared; Optical Window II; Deep Tissue Imaging; Water Soluble ID PARTICLE-SIZE; NANOCRYSTALS AB Contrast agents for optical imaging have traditionally been designed for the near- infrared (NIR) spectral range (700- 900 nm, Optical Window I) where absorption and scattering of tissue are relatively low. Recently, another window beyond 1000 nm has been discovered known as Optical Window II or the extended Near Infrared (exNIR) with improved transparency. In this work, we present a method to synthesize quantum dots emitting at 1300 nanometers, the optimal wavelength. The quantum dots were synthesized in organic solvents, and a method of transforming them into water is discussed. Optical characterizations including absolute quantum yield and the fluorescence lifetime are presented. C1 [Aydt, Alexander P.; Blair, Shane; Zhang, Hairong; Berezin, Mikhail Y.] Washington Univ, Sch Med, St Louis, MO 63110 USA. [Chernomordik, Boris D.; Beard, Matthew C.] Natl Renewable Energy Lab, Golden, CO USA. RP Berezin, MY (reprint author), Washington Univ, Sch Med, St Louis, MO 63110 USA. EM berezinm@mir.wustl.edu OI BEARD, MATTHEW/0000-0002-2711-1355 NR 17 TC 1 Z9 1 U1 3 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 978-1-62841-957-3 J9 PROC SPIE PY 2016 VL 9723 AR UNSP 97230Z DI 10.1117/12.2214509 PG 10 WC Engineering, Biomedical; Optics; Imaging Science & Photographic Technology SC Engineering; Optics; Imaging Science & Photographic Technology GA BF6KW UT WOS:000383224800011 ER PT S AU Dagel, DJ Grossetete, GD MacCallum, DO Korey, SP AF Dagel, Daryl J. Grossetete, Grant D. MacCallum, Danny O. Korey, Scott P. BE Zalameda, JN Bison, P TI Four-color imaging pyrometer for mapping temperatures of laser-based metal processes SO THERMOSENSE: THERMAL INFRARED APPLICATIONS XXXVIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Thermosense - Thermal Infrared Applications XXXVIII CY APR 18-21, 2016 CL Baltimore, MD SP SPIE, FLIR Syst Inc, IRCameras LLC DE Pyrometer; 2-color; thermography; laser welding; additive manufacturing AB A 4-color imaging pyrometer was developed to investigate the thermal behavior of laser-based metal processes, specifically laser welding and laser additive manufacturing of stainless steel. The new instrument, coined a 2x pyrometer, consists of four, high-sensitivity silicon CMOS cameras configured as two independent 2-color pyrometers combined in a common hardware assembly. This coupling of pyrometers permitted low and high temperature regions to be targeted within the silicon response curve, thereby broadening the useable temperature range of the instrument. Also, by utilizing the high dynamic range features of the CMOS cameras, the response gap between the two wavelength bands can be bridged. Together these hardware and software enhancements are predicted to expand the real-time (60 fps) temperature response of the 2x pyrometer from 600 degrees C to 3500 degrees C. Initial results from a calibrated tungsten lamp confirm this increased response, thus making it attractive for measuring absolute temperatures of steel forming processes. C1 [Dagel, Daryl J.; Grossetete, Grant D.; MacCallum, Danny O.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Korey, Scott P.] PrimeCore Syst Inc, 4501 Osuna Rd NE, Albuquerque, NM 87109 USA. RP Dagel, DJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM djdagel@sandia.gov NR 13 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 978-1-5106-0102-4 J9 PROC SPIE PY 2016 VL 9861 AR UNSP 986103 DI 10.1117/12.2223083 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA BF6DU UT WOS:000382994300003 ER PT S AU Dinwiddie, RB Kirka, MM Lloyd, PD Dehoff, RR Lowe, LE Marlow, GS AF Dinwiddie, R. B. Kirka, M. M. Lloyd, P. D. Dehoff, R. R. Lowe, L. E. Marlow, G. S. BE Zalameda, JN Bison, P TI Calibrating IR Cameras for In-Situ Temperature Measurement During the Electron Beam Melt Processing of Inconel 718 and Ti-Al6-V4 SO THERMOSENSE: THERMAL INFRARED APPLICATIONS XXXVIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Thermosense - Thermal Infrared Applications XXXVIII CY APR 18-21, 2016 CL Baltimore, MD SP SPIE, FLIR Syst Inc, IRCameras LLC DE Electron-Beam Melting; Ti-Al6-V4; Inconel; IR Imaging; Temperature Calibration; Emittance ID EMISSIVITY AB High performance mid-wave infrared (IR) cameras are used for in-situ electron beam melt process monitoring and temperature measurements. Since standard factory calibrations are insufficient due to very low transmissions of the leaded glass window required for X-ray absorption, two techniques for temperature calibrations are compared. In-situ measurement of emittance will also be discussed. Ultimately, these imaging systems have the potential for routine use for online quality assurance and feedback control. C1 [Dinwiddie, R. B.; Kirka, M. M.; Lloyd, P. D.; Dehoff, R. R.; Lowe, L. E.; Marlow, G. S.] Oak Ridge Natl Lab, Mfg Demonstrat Facil, 2370 Cherahala Blvd, Knoxville, TN 37932 USA. RP Dinwiddie, RB (reprint author), Oak Ridge Natl Lab, Mfg Demonstrat Facil, 2370 Cherahala Blvd, Knoxville, TN 37932 USA. RI Dehoff, Ryan/I-6735-2016 OI Dehoff, Ryan/0000-0001-9456-9633 NR 9 TC 1 Z9 1 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 978-1-5106-0102-4 J9 PROC SPIE PY 2016 VL 9861 AR UNSP 986107 DI 10.1117/12.2229070 PG 11 WC Optics; Physics, Applied SC Optics; Physics GA BF6DU UT WOS:000382994300006 ER PT S AU Sbriglia, LR Baker, AM Thompson, JM Morgan, RV Wachtor, AJ Bernardin, JD AF Sbriglia, Lexey R. Baker, Andrew M. Thompson, James M. Morgan, Robert V. Wachtor, Adam J. Bernardin, John D. BE Mains, M TI Embedding Sensors in FDM Plastic Parts During Additive Manufacturing SO TOPICS IN MODAL ANALYSIS & TESTING, VOL 10 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Additive manufacturing; Fused deposition modeling; FDM; Modal analysis; Embedded sensors AB In additive manufacturing, there is a necessity to qualify both the geometrical and material characteristics of the fabricated part, because both are being created simultaneously as the part is built up layer by layer. Increased availability of open source fused deposition modeling machines has expanded the parameter space for which the user has control during the build process. This work quantifies the effects of operator choices, such as print speed, printer head and build plate temperatures, layering thickness, or building in a thermally controlled or fully open environment, on the quality and reproducibility of the build. Modal analyses were performed on completed builds using an electrodynamic shaker and integrated circuit piezoelectric accelerometers embedded in the parts during the build process. Experimental measurements of the fused deposition modeled parts were benchmarked against eigenvalue analysis results for an idealized part with homogenous material properties to gauge the suitability of such analysis to fused deposition modeling additive manufacturing. Follow on work will use this embedded technique for state-of-health monitoring in deployed systems and real-time diagnostics and control of the build process. C1 [Sbriglia, Lexey R.] Univ Nevada, Dept Mech Engn, 1664 N Virginia St, Reno, NV 89557 USA. [Baker, Andrew M.] Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. [Thompson, James M.; Morgan, Robert V.; Wachtor, Adam J.; Bernardin, John D.] Los Alamos Natl Lab, Appl Engn & Technol Div, POB 1663, Los Alamos, NM 87545 USA. RP Wachtor, AJ (reprint author), Los Alamos Natl Lab, Appl Engn & Technol Div, POB 1663, Los Alamos, NM 87545 USA. EM ajw@lanl.gov OI Wachtor, Adam/0000-0003-0609-9171 NR 6 TC 0 Z9 0 U1 2 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-30249-2; 978-3-319-30248-5 J9 C PROC SOC EXP MECH PY 2016 BP 205 EP 214 DI 10.1007/978-3-319-30249-2_17 PG 10 WC Engineering, Mechanical SC Engineering GA BF5GK UT WOS:000381976700017 ER PT S AU Cummings, I Hillstrom, E Newton, R Flynn, E Wachtor, A AF Cummings, Ian Hillstrom, Elizabeth Newton, Rielly Flynn, Eric AdamWachtor BE Mains, M TI In-Process Ultrasonic Inspection of Additive Manufactured Parts SO TOPICS IN MODAL ANALYSIS & TESTING, VOL 10 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Additive manufacturing; Ultrasonic testing; Fused deposition modelling; Delamination; In-process qualification AB This project introduces an in-situ application of ultrasonic inspection techniques to fused deposition modeling (FDM) in order to detect defects as they are produced in a 3D printed plastic part. The growth of additive manufacturing into performance critical applications has revealed the need for precise quantitative evaluation of printed parts. Ultrasonic testing has been extensively demonstrated as a means of detecting small geometric defects in materials, but has not previously been applied in-process to thermoplastic FDM. This experiment used four piezoelectric transducers bonded to the build plate of an FDM machine printing Acrylonitrile Butadiene Styrene (ABS) to ultrasonically inspect parts periodically during the printing process. Every 30 s, the partially formed model is interrogated with an ultrasonic chirp signal and the response recorded. The normalized frequency response is then compared to an experimentally determined ideal response in order to detect faults in the most recently deposited layers. This analysis is based on the hypothesis that the frequency response of the part will be substantially altered if unexpected (defective) geometries are present. Due to the complexity added by low-density internal structures, this work investigates only parts with a solid fill and simple external geometries. However, with sufficient signal processing capabilities, it is feasible to extend this technique to more complicated part shapes and low-density fill patterns, as might be expected in a manufacturing setting. C1 [Cummings, Ian] Michigan Technol Univ, Dept Elect & Comp Engn, 1400 Townsend Dr, Houghton, MI 49931 USA. [Hillstrom, Elizabeth] Stanford Univ, Dept Mech Engn, 450 Serra Mall, Stanford, CA 94305 USA. [Newton, Rielly] Tennessee Technol Univ, Dept Mech Engn, 1 William L Jones Dr, Cookeville, TN 38505 USA. [Flynn, Eric] Los Alamos Natl Lab, Natl Secur Educ Ctr, POB 1663, Los Alamos, NM 87545 USA. [AdamWachtor] Los Alamos Natl Lab, Appl Engn & Technol Div, POB 1663, Los Alamos, NM 87545 USA. RP Flynn, E (reprint author), Los Alamos Natl Lab, Natl Secur Educ Ctr, POB 1663, Los Alamos, NM 87545 USA. EM eflynn@lanl.gov OI Flynn, Eric/0000-0003-0965-7052; Wachtor, Adam/0000-0003-0609-9171 NR 6 TC 0 Z9 0 U1 5 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-30249-2; 978-3-319-30248-5 J9 C PROC SOC EXP MECH PY 2016 BP 235 EP 247 DI 10.1007/978-3-319-30249-2_20 PG 13 WC Engineering, Mechanical SC Engineering GA BF5GK UT WOS:000381976700020 ER PT S AU Dorn, CJ Mancini, TD Talken, ZR Yang, YC Kenyon, G Farrar, C Mascarenas, D AF Dorn, Charles J. Mancini, Tyler D. Talken, Zachary R. Yang, Yongchao Kenyon, Garrett Farrar, Charles Mascarenas, David BE Mains, M TI Automated Extraction of Mode Shapes Using Motion Magnified Video and Blind Source Separation SO TOPICS IN MODAL ANALYSIS & TESTING, VOL 10 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Operational modal analysis; Motion magnification; Blind source separation; Video processing; Damage detection ID DIGITAL IMAGE CORRELATION AB Traditionally, experimental and operational modal analysis requires wired sensors that are physically attached to the structure of interest for vibration measurements. The instrumentation of these sensors on structures for long-term applications (e.g., structural health monitoring) is costly, time-consuming, and requires significant maintenance. Even if a wireless sensor network is used, there still exist substantial challenges associated with security, available bandwidth, and providing energy to the network. As a non-contact method, optics measurements from digital cameras combined with vision based algorithms have been successfully used for experimental vibration measurement and analysis. This opens the door to replacing physical sensors with remote sensing techniques, which could eliminate many of the problems associated with conventional distributed sensor networks. However, research to date has focused on simple structures that can be represented using a single edge. In this work, we propose a novel phase-based video motion magnification and Blind Source Separation (BSS) based method to perform operational modal analysis in a relatively efficient and automated manner. C1 [Dorn, Charles J.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Mancini, Tyler D.] SUNY Buffalo, Dept Mech & Aerosp Engn, Buffalo, NY 14260 USA. [Talken, Zachary R.] Missouri Univ Sci & Technol, Dept Mech & Aerosp Engn, Rolla, MO 65409 USA. [Yang, Yongchao; Farrar, Charles; Mascarenas, David] Los Alamos Natl Lab, Engn Inst, POB 1663,MS T001, Los Alamos, NM 87545 USA. [Kenyon, Garrett] Los Alamos Natl Lab, POB 1663,MS D454, Los Alamos, NM 87545 USA. RP Yang, YC (reprint author), Los Alamos Natl Lab, Engn Inst, POB 1663,MS T001, Los Alamos, NM 87545 USA. EM charlesjdorn@gmail.com; tylermancini@gmail.com; zrtalken@gmail.com; yyang@lanl.gov; gkenyon@lanl.gov; farrar@lanl.gov; dmascarenas@lanl.gov OI Farrar, Charles/0000-0001-6533-6996 NR 9 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-30249-2; 978-3-319-30248-5 J9 C PROC SOC EXP MECH PY 2016 BP 355 EP 360 DI 10.1007/978-3-319-30249-2_32 PG 6 WC Engineering, Mechanical SC Engineering GA BF5GK UT WOS:000381976700032 ER PT S AU Pacini, B Tipton, G AF Pacini, Benjamin Tipton, Gregory BE Mains, M TI Structural-Acoustic Mode Coupling in a Bolted Aluminum Cylinder SO TOPICS IN MODAL ANALYSIS & TESTING, VOL 10 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Experimental modal analysis; Analytical modal analysis; Structural-acoustics; Coupled modes AB This work presents a modal test on a cylindrical bolted structure that initially appeared to be a routine model calibration experiment. However, while reviewing the test data the structure appeared to have two pairs of ovaling modes with identical shapes. Assuming this to be the result of an uninstrumented component of the test article, extensive efforts were conducted to identify this feature. When all options were exhausted, the interaction between the structure and the air contained within was investigated. Contrary to the typical assumption that the fluid-structure interactions are negligible for such a thick walled cylinder, analysis showed that for this test article the acoustic modes of the internal air significantly impacted the structural response. In this case, the acoustic and the structural modes coincided in frequency, causing the first ovaling modes to split into two pairs at different frequencies. Experimental and analytical results are presented that describe this structural-acoustic mode coupling phenomenon. C1 [Pacini, Benjamin; Tipton, Gregory] Sandia Natl Labs, Engn Sci Ctr, POB 5800 MS0557, Albuquerque, NM 87185 USA. RP Pacini, B (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800 MS0557, Albuquerque, NM 87185 USA. EM brpacin@sandia.gov; dgtipto@sandia.gov NR 5 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-30249-2; 978-3-319-30248-5 J9 C PROC SOC EXP MECH PY 2016 BP 393 EP 401 DI 10.1007/978-3-319-30249-2_35 PG 9 WC Engineering, Mechanical SC Engineering GA BF5GK UT WOS:000381976700035 ER PT J AU Qi, XW Wu, GY Boriboonsomsin, K Barth, MJ Gonder, J AF Qi, Xuewei Wu, Guoyuan Boriboonsomsin, Kanok Barth, Matthew J. Gonder, Jeffrey TI Data-Driven Reinforcement Learning-Based Real-Time Energy Management System for Plug-In Hybrid Electric Vehicles SO TRANSPORTATION RESEARCH RECORD LA English DT Article ID STRATEGY AB Plug-in hybrid electric vehicles (PHEVs) show great promise in reducing transportation-related fossil fuel consumption and greenhouse gas emissions. Designing an efficient energy management system (EMS) for PHEVs to achieve better fuel economy has been an active research topic for decades. Most of the advanced systems rely either on a priori knowledge of future driving conditions to achieve the optimal but not real-time solution (e.g., using a dynamic programming strategy) or on only current driving situations to achieve a real-time but nonoptimal solution (e.g., rule-based strategy). This paper proposes a reinforcement learning-based real-time EMS for PHEVs to address the trade-off between real-time performance and optimal energy savings. The proposed model can optimize the power-split control in real time while learning the optimal decisions from historical driving cycles. A case study on a real-world commute trip shows that about a 12% fuel saving can be achieved without considering charging opportunities; further, an 8% fuel saving can be achieved when charging opportunities are considered, compared with the standard binary mode control strategy. C1 [Qi, Xuewei; Barth, Matthew J.] Univ Calif Riverside, Dept Elect & Comp Engn, 1084 Columbia Ave, Riverside, CA 92507 USA. [Wu, Guoyuan; Boriboonsomsin, Kanok] Univ Calif Riverside, CE CERT, 1084 Columbia Ave, Riverside, CA 92507 USA. [Gonder, Jeffrey] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Qi, XW (reprint author), Univ Calif Riverside, Dept Elect & Comp Engn, 1084 Columbia Ave, Riverside, CA 92507 USA. EM xqi001@ucr.edu FU U.S. Department of Transportation FX This work was supported in part by the U.S. Department of Transportation. NR 22 TC 1 Z9 1 U1 8 U2 9 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0361-1981 EI 2169-4052 J9 TRANSPORT RES REC JI Transp. Res. Record PY 2016 IS 2572 BP 1 EP 8 DI 10.3141/2572-01 PG 8 WC Engineering, Civil; Transportation; Transportation Science & Technology SC Engineering; Transportation GA DV7KH UT WOS:000383114300001 ER PT S AU Bardayan, DW Ahn, T Allen, J Becchetti, FD Blackmon, JC Brodeur, M Frentz, B Gupta, YK Hall, MR Hall, O Henderson, S Hu, J Kelly, JM Kolata, JJ Long, A Long, J Macon, K Nicoloff, C O'Malley, PD Ostdiek, K Pain, SD Riggins, J Schultz, BE Smith, M Strauss, S Torres-Isea, RO AF Bardayan, D. W. Ahn, T. Allen, J. Becchetti, F. D. Blackmon, J. C. Brodeur, M. Frentz, B. Gupta, Y. K. Hall, M. R. Hall, O. Henderson, S. Hu, J. Kelly, J. M. Kolata, J. J. Long, A. Long, J. Macon, K. Nicoloff, C. O'Malley, P. D. Ostdiek, K. Pain, S. D. Riggins, J. Schultz, B. E. Smith, M. Strauss, S. Torres-Isea, R. O. BE Acosta, L Bijker, R TI Recent Nuclear Astrophysics Measurements using the TwinSol Separator SO XXXIX SYMPOSIUM ON NUCLEAR PHYSICS 2016 (COCOYOC2016) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 39th Symposium on Nuclear Physics (Cocoyoc) CY JAN 05-08, 2016 CL Cocoyoc, MEXICO SP UNAM, Inst Ciencias Nucleares, UNAM, Inst Fisica, Inst Nacl Investigaciones Nucleares, SFM, Div Fisica Nucl ID HALF-LIVES; ALPHA)O-14; F-17 AB Many astrophysical events, such as novae and X-ray bursts, are powered by reactions with radioactive nuclei. Studying the properties of these nuclei in the laboratory can therefore further our understanding of these astrophysical explosions. The TwinSol separator at the University of Notre Dame has recently been used to produce intense (similar to 10(6) pps) beams of F-17. In this article, some of the first measurements with these beams are discussed. C1 [Bardayan, D. W.; Ahn, T.; Allen, J.; Brodeur, M.; Frentz, B.; Gupta, Y. K.; Hall, M. R.; Hall, O.; Henderson, S.; Hu, J.; Kelly, J. M.; Kolata, J. J.; Long, A.; Long, J.; Nicoloff, C.; O'Malley, P. D.; Ostdiek, K.; Schultz, B. E.; Smith, M.; Strauss, S.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Becchetti, F. D.; Riggins, J.; Torres-Isea, R. O.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Blackmon, J. C.; Macon, K.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Gupta, Y. K.] Bhabha Atom Res Ctr, Div Nucl Phys, Bombay 400085, Maharashtra, India. [Hall, O.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Hu, J.] Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China. [Nicoloff, C.] Wellesley Coll, Dept Phys, Wellesley, MA 02481 USA. [Pain, S. D.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Bardayan, DW (reprint author), Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. EM danbardayan@nd.edu RI Ahn, Tan/C-9158-2016 OI Ahn, Tan/0000-0003-2249-7399 NR 12 TC 0 Z9 0 U1 2 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 2016 VL 730 AR UNSP 012004 DI 10.1088/1742-6596/730/1/012004 PG 6 WC Physics, Nuclear SC Physics GA BF6FG UT WOS:000383027000004 ER PT J AU Bosisio, AV Fionda, E Cadeddu, MP Ciotti, P AF Bosisio, Ada Vittoria Fionda, Ermanno Cadeddu, Maria P. Ciotti, Piero GP IEEE TI Forward modeling of an atmospheric scenario: path characterization in terms of scattering intensity SO 2016 14TH SPECIALIST MEETING ON MICROWAVE RADIOMETRY AND REMOTE SENSING OF THE ENVIRONMENT (MICRORAD) LA English DT Proceedings Paper CT 14th Specialist Meeting on Microwave Radiometry and Remote Sensing of the Environment (MicroRad) CY APR 11-14, 2016 CL Espoo, FINLAND SP Inst Elect & Elect Engineers, IEEE Geoscience & Remote Sensing Soc, URSI, Microwave Remote Sensing Ctr, Aalto Univ DE millimeter Waves; 5G; atmospheric propagation; scattering ID MICROWAVE RADIOMETER AB The knowledge of possible impairments due to atmospheric propagation is of importance in the framework of future 5G mobile networks that use spectrum resource up to the W band. Here, the authors propose the scalar Scattering Indicator (SI), defined as the difference between the simulated TB at 72 GHz and the (T) over cap (B). value estimated at the same frequency from a nonlinear combination of T-B's values at 23.8 and 31.4 GHz under assumed scatter-free condition. On the basis of radiosonde profiles observed in Milan, Linate (Italy) in 2005, clear-sky scenarios are used as reference to define a scatter-free T(B)s database. A second database of simulated T(B)s including scattering effects is generated with ARTS to build the SI. Numerical results show that the SI assumes significant positive values with increasing drop effective radius and total liquid water LWP and that it can be used to identify the scattering due to hydrometeors. C1 [Bosisio, Ada Vittoria] Politecn Milan, CNR, IEIIT, Milan, Italy. [Fionda, Ermanno] Fdn Ugo Bordoni, Rome, Italy. [Cadeddu, Maria P.] Argonne Natl Lab, Lemont, IL USA. [Ciotti, Piero] Univ Aquila, Dept Informat & Elect Engn, Laquila, Italy. RP Bosisio, AV (reprint author), Politecn Milan, CNR, IEIIT, Milan, Italy. EM adavittoria.bosisio@ieiit.cnr.it NR 17 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-5090-2951-8 PY 2016 BP 110 EP 114 PG 5 WC Engineering, Electrical & Electronic; Remote Sensing SC Engineering; Remote Sensing GA BF5QG UT WOS:000382491900025 ER PT S AU Yoo, SJ Huang, H Kasiviswanathan, SP AF Yoo, Shinjae Huang, Hao Kasiviswanathan, Shiva Prasad GP IEEE TI Streaming Spectral Clustering SO 2016 32ND IEEE INTERNATIONAL CONFERENCE ON DATA ENGINEERING (ICDE) SE IEEE International Conference on Data Engineering LA English DT Proceedings Paper CT 32nd IEEE International Conference on Data Engineering (ICDE) CY MAY 16-20, 2016 CL Helsinki, FINLAND SP IEEE, IEEE Comp Soc, Aalto Univ, Sch Sci AB Clustering is a classical data mining task used for discovering interrelated pattern of similarities in the data. In many modern day domains, data is getting continuously generated as a stream. For scalability reasons, clustering the points in a data stream requires designing single pass, limited memory streaming clustering algorithms. However, the performance of the known streaming clustering algorithms, that typically use K means (or its variants) on the original feature space, tend to suffer when the feature space is high-dimensional. To overcome this problem, we propose a streaming spectral clustering algorithm. Our algorithm maintains an approximation of the normalized Laplacian of the data stream over time and efficiently updates the changing eigenvectors of this Laplacian in a streaming fashion. It requires just one pass over the data, consumes limited memory, and is stable to the ordering of the data stream. We provide a theoretical analysis of our streaming spectral clustering algorithm and our experimental results show that while gaining in scalability, its performance compares well with other known batch/ streaming clustering approaches. C1 [Yoo, Shinjae] Brookhaven Natl Lab, Computat Sci Initiat, Upton, NY 11973 USA. [Huang, Hao] Gen Elect Global Res, Machine Learning Lab, San Ramon, CA 94583 USA. [Kasiviswanathan, Shiva Prasad] Samsung Res Amer, Mountain View, CA 94043 USA. RP Yoo, SJ (reprint author), Brookhaven Natl Lab, Computat Sci Initiat, Upton, NY 11973 USA. EM shinjae@gmail.com; haohuanghw@gmail.com; kasivisw@gmail.com NR 52 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1084-4627 BN 978-1-5090-2020-1 J9 PROC INT CONF DATA PY 2016 BP 637 EP 648 PG 12 WC Computer Science, Information Systems; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5SC UT WOS:000382554200054 ER PT J AU Fatollahi-Fard, F Donofrio, D Michelogiannakis, G Shalf, J AF Fatollahi-Fard, Farzad Donofrio, David Michelogiannakis, George Shalf, John GP IEEE TI OpenSoC Fabric: On-Chip Network Generator SO 2016 IEEE INTERNATIONAL SYMPOSIUM ON PERFORMANCE ANALYSIS OF SYSTEMS AND SOFTWARE ISPASS 2016 SE IEEE International Symposium on Performance Analysis of Systems and Software-ISPASS LA English DT Proceedings Paper CT 17th IEEE International Symposium on Performance Analysis of Systems and Software (ISPASS) CY APR 17-19, 2016 CL Uppsala, SWEDEN SP IEEE Comp Soc, IEEE ID SIMULATOR; SYSTEM; FPGAS; MODEL AB As technology scaling continues, on-chip networks are expected to remain important in future many-core chips due to the increased parallelism and, therefore, communication. However, designing and evaluating large-scale on-chip networks is a nontrivial task given the poor scalability of software simulation for thousands of cores and the intense development effort to develop hardware RTL. In this paper, we describe OpenSoC Fabric. OpenSoC Fabric is a comprehensive on-chip network generator written in Chisel. Chisel generates both C++ and Verilog models from a single code base and has a development effort comparable to functional programming. We describe the internal architecture of OpenSoC Fabric and its powerful list of configuration parameters. We then compare OpenSoC Fabric against pre-validated state-of-the-art simulators using both the generated C++ and Verilog models using FPGAs. C1 [Fatollahi-Fard, Farzad; Donofrio, David; Michelogiannakis, George; Shalf, John] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Fatollahi-Fard, F (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ffard@lbl.gov; ddonofrio@lbl.gov; mihelog@lbl.gov; jshalf@lbl.gov NR 31 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-5090-1953-3 J9 INT SYM PERFORM ANAL PY 2016 BP 194 EP 203 PG 10 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5WY UT WOS:000382752200026 ER PT S AU Wilches-Bernal, F Lackner, C Chow, JH Sanchez-Gasca, JJ AF Wilches-Bernal, Felipe Lackner, Christoph Chow, Joe H. Sanchez-Gasca, Juan J. GP IEEE TI Small-Signal Analysis of Power System Swing Modes as affected by Wind Turbine-Generators SO 2016 IEEE POWER AND ENERGY CONFERENCE AT ILLINOIS (PECI) SE IEEE Power and Energy Conference at Illinois LA English DT Proceedings Paper CT IEEE Power and Energy Conference at Illinois (PECI) CY FEB 19-20, 2016 CL Urbana, IL SP IEEE DE Wind generation; electromechanical oscillations; small-signal stability; power system dynamics ID STABILITY AB The power electronic grid interface of converter based energy systems such as wind turbine-generators (WTGs) is modifying the dynamics governing power systems. For a fundamental understanding of the impact of power electronic interface on the electromechanical modes, that is, the synchronizing and damping torque on synchronous machines, this paper provides a small-signal analysis about the impact of WTGs on the local mode of a single-machine infinite-bus (SMIB) system. The main contribution is the incorporation of the WTG voltage control into the modal decomposition diagram of Heffron-Phillips and deMello-Concordia. Sensitivity coefficients are developed for the WTG voltage control loop and their impact on the real and imaginary parts of the local mode is illustrated with an example. C1 [Wilches-Bernal, Felipe] Sandia Natl Labs, Elect Power Syst Res Grp, Livermore, CA 94550 USA. [Lackner, Christoph; Chow, Joe H.] Rensselaer Polytech Inst, Dept Elect Comp & Syst Engn, Troy, NY 12181 USA. [Sanchez-Gasca, Juan J.] GE Energy Consulting, Schenectady, NY USA. RP Wilches-Bernal, F (reprint author), Sandia Natl Labs, Elect Power Syst Res Grp, Livermore, CA 94550 USA. EM fwilche@sandia.gov; lacknc@rpi.edu; chowj@rpi.edu; juan1.sanchez@ge.com NR 19 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2378-9255 BN 978-1-5090-0261-0 J9 IEEE POWER ENERG CON PY 2016 PG 6 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BF5KX UT WOS:000382167900020 ER PT S AU Rhoades, C Rasmussen, J Bowles, PH Hagmann, MJ Yarotski, DA AF Rhoades, Chad Rasmussen, Joel Bowles, Patrick H. Hagmann, Mark J. Yarotski, Dmitry A. GP IEEE TI First Measurements of a Microwave Frequency Comb with a Semiconductor Sample in a Scanning Tunneling Microscope SO 2016 IEEE WORKSHOP ON MICROELECTRONICS AND ELECTRON DEVICES (WMED) SE IEEE Workshop on Microelectronics and Electron Devices LA English DT Proceedings Paper CT IEEE Workshop on Microelectronics and Electron Devices (WMED) CY APR 15, 2016 CL Boise State Univ, Boise, ID SP IEEE, IEEE Boise Sect, IEEE Electron Devices Soc, Boise Chapter, Boise State Univ, Coll Engn, Dept Elect & Comp Engn, Micron Fdn, Appl Mat, Keysight Technologies, Mentor Graph, Intel, SPECTEK, Univ Idaho, Coll Engn, Kokusai, ULVAC, TEL, ASM, Coventor, HP, NW Nazarene Univ HO Boise State Univ DE Scanning probe microscopy; scanning tunneling microscope; microwave frequency comb; carrier profiling; scanning spreading resistance microscopy ID RESISTANCE; CONTACT AB The first two harmonics of a microwave frequency comb (MFC) were measured at a probe which must be within 1 mm of the tunneling junction at the surface of a semiconductor as the sample electrode in a scanning tunneling microscope. The MFC was generated using a passively mode-locked Ti:Sapphire laser with GaN, but lasers with lower photon energy would be required with silicon. The attenuation of the MFC is primarily caused by the spreading resistance in a sub-nm spot at the tunneling junction. Thus, the measured attenuation could be used to determine the carrier density at this spot as an extension of scanning spreading resistance microscopy (SSRM). We anticipate that this effect will enable new nondestructive methods for sub-nm carrier profiling of semiconductors. C1 [Rhoades, Chad; Rasmussen, Joel] Brigham Young Univ, Provo, UT 84602 USA. [Bowles, Patrick H.; Hagmann, Mark J.] NewPath Res LLC, Salt Lake City, UT 84115 USA. [Yarotski, Dmitry A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Rhoades, C (reprint author), Brigham Young Univ, Provo, UT 84602 USA. EM carhoades@byu.net; JoelRasmussen@gmail.com; newpathresearch@gmail.com; dzmitry@lanl.gov NR 8 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1947-3834 BN 978-1-4673-8399-8 J9 IEEE MIRCOELECT ELEC PY 2016 BP 6 EP 9 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA BF5KT UT WOS:000382165400008 ER PT S AU Pindzola, MS Colgan, J Robicheaux, F Lee, TG Ciappina, MF Foster, M Ludlow, JA Abdel-Naby, SA AF Pindzola, M. S. Colgan, J. Robicheaux, F. Lee, T. G. Ciappina, M. F. Foster, M. Ludlow, J. A. Abdel-Naby, Sh. A. BE Arimondo, E Lin, CC Yelin, SF TI Time-Dependent Close-Coupling Calculations for Ion-Impact Ionization of Atoms and Molecules SO ADVANCES IN ATOMIC, MOLECULAR, AND OPTICAL PHYSICS, VOL 65 SE Advances In Atomic Molecular and Optical Physics LA English DT Review; Book Chapter ID HYDROGEN MOLECULES; PROTON IMPACT; HELIUM; ANTIPROTONS; COLLISIONS; SINGLE AB We review the application of the time-dependent close-coupling method to the study of ion-impact ionization of atoms and molecules. Ionization cross sections are presented for bare ion, antiproton, and neutron collisions with light atoms and molecules. C1 [Pindzola, M. S.] Auburn Univ, Auburn, AL 36849 USA. [Colgan, J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [Robicheaux, F.] Purdue Univ, W Lafayette, IN 47907 USA. [Lee, T. G.] Univ Res Pk, Madison, WI USA. [Ciappina, M. F.] Max Planck Inst Quantum Opt, Garching, Germany. [Foster, M.] Ctr Naval Anal, Alexandria, VA USA. [Ludlow, J. A.] AquaQ Analyt, Belfast, Antrim, North Ireland. [Abdel-Naby, Sh. A.] Amer Univ Sharjah, Sharjah, U Arab Emirates. RP Pindzola, MS (reprint author), Auburn Univ, Auburn, AL 36849 USA. EM pindzms@auburn.edu OI Ciappina, Marcelo/0000-0002-1123-6460 NR 44 TC 0 Z9 0 U1 2 U2 2 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 1049-250X BN 978-0-12-805244-0; 978-0-12-805244-0 J9 ADV ATOM MOL OPT PHY JI Adv. Atom. Mol. Opt. Phys. PY 2016 VL 65 BP 291 EP 319 DI 10.1016/bs.aamop.2016.01.002 PG 29 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA BF5MP UT WOS:000382283800007 ER PT S AU Young, SR Steward, BJ Hawks, M Gross, KC AF Young, Shannon R. Steward, Bryan J. Hawks, Michael Gross, Kevin C. BE Henry, DJ Gosian, GJ Lange, DA VonBerg, DL Walls, TJ Young, DL TI Improving Detection of Low SNR Targets Using Moment-based Detection SO AIRBORNE INTELLIGENCE, SURVEILLANCE, RECONNAISSANCE (ISR) SYSTEMS AND APPLICATIONS XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Airborne Intelligence, Surveillance, Reconnaissance (ISR) Systems and Applications XIII CY APR 18-19, 2016 CL Baltimore, MD SP SPIE DE anomaly detection; detect-before-track; track-before-detect; statistical moments; motion imagery AB Increases in the number of cameras deployed, frame rate, and detector array sizes have led to a dramatic increase in the volume of motion imagery data that is collected. Without a corresponding increase in analytical manpower, much of the data is not analyzed to full potential. This creates a need for fast, automated, and robust methods for detecting signals of interest. Current approaches fall into two categories: detect-before-track (DBT), which are fast but often poor at detecting dim targets, and track-before-detect (TBD) methods which can offer better performance but are typically much slower. This research seeks to contribute to the near real time detection of low SNR, unresolved moving targets through an extension of earlier work on higher order moments anomaly detection, a method that exploits both spatial and temporal information but is still computationally efficient and massively parallelizable. It was found that intelligent selection of parameters can improve probability of detection by as much as 25% compared to earlier work with higher order moments. The present method can reduce detection thresholds by 40% compared to the Reed-Xiaoli anomaly detector for low SNR targets (for a given probability of detection and false alarm). C1 [Young, Shannon R.; Hawks, Michael; Gross, Kevin C.] Air Force Inst Technol, Dept Engn Phys, Wright Patterson AFB, OH 45433 USA. [Steward, Bryan J.; Hawks, Michael] Oak Ridge Inst Sci & Educ, Belcamp, MD USA. RP Young, SR (reprint author), Air Force Inst Technol, Dept Engn Phys, Wright Patterson AFB, OH 45433 USA. EM shannon.young.8@us.af.mil NR 8 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 978-1-5106-0069-0 J9 PROC SPIE PY 2016 VL 9828 AR UNSP 98280K DI 10.1117/12.2224544 PG 12 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BF6AT UT WOS:000382886000015 ER PT J AU Dong, XY Fu, JS Huang, K Tong, D Zhuang, GS AF Dong, Xinyi Fu, Joshua S. Huang, Kan Tong, Daniel Zhuang, Guoshun TI Model development of dust emission and heterogeneous chemistry within the Community Multiscale Air Quality modeling system and its application over East Asia SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID UNDERSTANDING INTERANNUAL VARIATIONS; PENINSULAR SOUTHEAST-ASIA; YANGTZE-RIVER DELTA; MINERAL-DUST; TROPOSPHERIC CHEMISTRY; CHEMICAL-COMPOSITION; SOIL PARTICLES; UNITED-STATES; STORM PERIOD; AFRICAN DUST AB The Community Multiscale Air Quality (CMAQ) model has been further developed in terms of simulating natural wind-blown dust in this study, with a series of modifications aimed at improving the model's capability to predict the emission, transport, and chemical reactions of dust. The default parameterization of initial threshold friction velocity constants are revised to correct the double counting of the impact of soil moisture in CMAQ by the reanalysis of field experiment data; source-dependent speciation profiles for dust emission are derived based on local measurements for the Gobi and Taklamakan deserts in East Asia; and dust heterogeneous chemistry is also implemented. The improved dust module in the CMAQ is applied over East Asia for March and April from 2006 to 2010. The model evaluation result shows that the simulation bias of PM10 and aerosol optical depth (AOD) is reduced, respectively, from -55.42 and -31.97% by the original CMAQ to -16.05 and -22.1% by the revised CMAQ. Comparison with observations at the nearby Gobi stations of Duolun and Yulin indicates that applying a source-dependent profile helps reduce simulation bias for trace metals. Implementing heterogeneous chemistry also results in better agreement with observations for sulfur dioxide (SO2), sulfate (SO42-), nitric acid (HNO3), nitrous oxides (NOx), and nitrate (NO3-). The investigation of a severe dust storm episode from 19 to 21 March 2010 suggests that the revised CMAQ is capable of capturing the spatial distribution and temporal variation of dust. The model evaluation also indicates potential uncertainty within the excessive soil moisture used by meteorological simulation. The mass contribution of fine-mode particles in dust emission may be underestimated by 50 %. The revised CMAQ model provides a useful tool for future studies to investigate the emission, transport, and impact of wind-blown dust over East Asia and elsewhere. C1 [Dong, Xinyi; Fu, Joshua S.; Huang, Kan] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Fu, Joshua S.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Tong, Daniel] NOAA, OAR, ARL, Ctr Weather & Climate Predict, College Pk, MD 20740 USA. [Tong, Daniel] George Mason Univ, Ctr Spatial Informat Sci & Syst, Fairfax, VA 22030 USA. [Tong, Daniel] Univ Maryland, Cooperat Inst Climate & Satellites, College Pk, MD 20740 USA. [Zhuang, Guoshun] Fudan Univ, Dept Environm Sci & Engn, Ctr Atmospher Chem Study, Shanghai 200433, Peoples R China. RP Fu, JS (reprint author), Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA.; Fu, JS (reprint author), Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. EM jsfu@utk.edu RI Tong, Daniel/A-8255-2008 OI Tong, Daniel/0000-0002-4255-4568 FU NASA GSFC [NNX09AG75G]; National Natural Science Foundation of China [41429501]; NASA ROSES grant [NNX13AO45G] FX We thank NASA GSFC (Grant No. NNX09AG75G) and the National Natural Science Foundation of China (Grant No. 41429501) for their funding support. D. Tong is also particularly grateful for his award of a NASA ROSES grant (NNX13AO45G). We would like to acknowledge Edward J. Hyer for providing biomass burning emission data, and we thank Keiichi Sato and Ayako Aoyagi from the Asia Center for Air Pollution Research for providing the EANET data. We would like to acknowledge George Lin of the National Central University for providing the AOD observations from Taiwan, and we would also like to acknowledge China MEP and Taiwan EPA for providing the observation data and thank NASA for providing the AERONET and MODIS data. We thank the National Institute for Computational Sciences (NICS) for providing the computer sources for the model simulations used in this research. NR 91 TC 0 Z9 0 U1 9 U2 9 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 2016 VL 16 IS 13 BP 8157 EP 8180 DI 10.5194/acp-16-8157-2016 PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DS9GQ UT WOS:000381091400007 ER PT J AU Twohy, CH McMeeking, GR DeMott, PJ McCluskey, CS Hill, TCJ Burrows, SM Kulkarni, GR Tanarhte, M Kafle, DN Toohey, DW AF Twohy, Cynthia H. McMeeking, Gavin R. DeMott, Paul J. McCluskey, Christina S. Hill, Thomas C. J. Burrows, Susannah M. Kulkarni, Gourihar R. Tanarhte, Meryem Kafle, Durga N. Toohey, Darin W. TI Abundance of fluorescent biological aerosol particles at temperatures conducive to the formation of mixed-phase and cirrus clouds SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID NUCLEATION-ACTIVE BACTERIA; ATMOSPHERIC ICE NUCLEI; SUBMODEL SYSTEM MESSY; TECHNICAL NOTE; DIFFERENT ECOSYSTEMS; GLOBAL ATMOSPHERE; AIRBORNE BACTERIA; SIZE DISTRIBUTION; OPTICAL DEPTH; CLIMATE MODEL AB Some types of biological particles are known to nucleate ice at warmer temperatures than mineral dust, with the potential to influence cloud microphysical properties and climate. However, the prevalence of these particle types above the atmospheric boundary layer is not well known. Many types of biological particles fluoresce when exposed to ultraviolet light, and the Wideband Integrated Bioaerosol Sensor takes advantage of this characteristic to perform real-time measurements of fluorescent biological aerosol particles (FBAPs). This instrument was flown on the National Center for Atmospheric Research Gulfstream V aircraft to measure concentrations of fluorescent biological particles from different potential sources and at various altitudes over the US western plains in early autumn. Clear-air number concentrations of FBAPs between 0.8 and 12 mu m diameter usually decreased with height and generally were about 10-100 L-1 in the continental boundary layer but always much lower at temperatures colder than 255K in the free troposphere. At intermediate temperatures where biological ice-nucleating particles may influence mixed-phase cloud formation (255K <= T <= 270 K), concentrations of fluorescent particles were the most variable and were occasionally near boundary-layer concentrations. Predicted vertical distributions of ice-nucleating particle concentrations based on FBAP measurements in this temperature regime sometimes reached typical concentrations of primary ice in clouds but were often much lower. If convection was assumed to lift boundary-layer FBAPs without losses to the free troposphere, better agreement between predicted ice-nucleating particle concentrations and typical ice crystal concentrations was achieved. Ice-nucleating particle concentrations were also measured during one flight and showed a decrease with height, and concentrations were consistent with a relationship to FBAPs established previously at the forested surface site below. The vertical distributions of FBAPs measured on five flights were also compared with those for bacteria, fungal spores, and pollen predicted from the EMAC global chemistry-climate model for the same geographic region. C1 [Twohy, Cynthia H.] Northwest Res Associates, Redmond, WA 98052 USA. [McMeeking, Gavin R.] Droplet Measurement Technol, Boulder, CO 80301 USA. [DeMott, Paul J.; McCluskey, Christina S.; Hill, Thomas C. J.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. [Burrows, Susannah M.; Kulkarni, Gourihar R.] Pacific Northwest Natl Lab, Richland, WA 99354 USA. [Tanarhte, Meryem] Max Planck Inst Chem, Atmospher Chem Dept, D-55128 Mainz, Germany. [Kafle, Durga N.] NASA, GSFC, ADNET Syst, Greenbelt, MD 20771 USA. [Toohey, Darin W.] Univ Colorado, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA. [McMeeking, Gavin R.] Handix Sci, Boulder, CO 80301 USA. RP Twohy, CH (reprint author), Northwest Res Associates, Redmond, WA 98052 USA. EM twohy@nwra.com RI Burrows, Susannah/A-7429-2011 OI Burrows, Susannah/0000-0002-0745-7252 FU US National Science Foundation [AGS-1408028, AGS-1358495, AGS-1036028, AGS-1104642]; US Department of Energy, Office of Science, BER program, at Pacific Northwest National Laboratory (PNNL); US DOE [DE-AC05-76RL0 1830] FX This material was based on work supported by the US National Science Foundation under award numbers AGS-1408028 (Cynthia H. Twohy), AGS-1358495 and AGS-1036028 (Paul J. DeMott and Thomas C. J. Hill), and AGS-1104642 (Darin W. Toohey). Gourihar R. Kulkarni and Susannah M. Burrows were supported by the US Department of Energy, Office of Science, BER program, at Pacific Northwest National Laboratory (PNNL). PNNL is operated by the US DOE by Battelle Memorial Institute under contract DE-AC05-76RL0 1830. James Anderson of Arizona State analyzed and provided preliminary interpretation of particle types via SEM. Greg Kok and Gary Granger of Droplet Measurement Technologies helped with modifications to the WIBS-4A. We thank Errol Korn, Gordon Maclean, and Kyle Holden for technical expertise, Jeff Stith for organizing the IDEAS field program, and the rest of the Research Aviation Facility staff for implementing it so skillfully. Frank Drewnick of the Max Planck Institute for Chemistry suggested changes to the Particle Loss Calculator program for airborne operations and Yiannis Proestos of The Cyprus Institute helped with model setup. We also acknowledge the US Department of Energy's Atmospheric Radiation Measurement (ARM) program and the scientists involved in providing the Southern Great Plains site MFRSR and SONDE data used in Fig. 1. NR 92 TC 3 Z9 3 U1 9 U2 11 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 2016 VL 16 IS 13 BP 8205 EP 8225 DI 10.5194/acp-16-8205-2016 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DS9GQ UT WOS:000381091400010 ER PT J AU Chen, J Viatte, C Hedelius, JK Jones, T Franklin, JE Parker, H Gottlieb, EW Wennberg, PO Dubey, MK Wofsy, SC AF Chen, Jia Viatte, Camille Hedelius, Jacob K. Jones, Taylor Franklin, Jonathan E. Parker, Harrison Gottlieb, Elaine W. Wennberg, Paul O. Dubey, Manvendra K. Wofsy, Steven C. TI Differential column measurements using compact solar-tracking spectrometers SO ATMOSPHERIC CHEMISTRY AND PHYSICS LA English DT Article ID GREENHOUSE-GAS EMISSIONS; PORTABLE FTIR SPECTROMETERS; INSTRUMENTAL LINE-SHAPE; LOS-ANGELES; CARBON-MONOXIDE; ABSORPTION-SPECTROSCOPY; OBSERVING NETWORK; HIGH-RESOLUTION; 4 CORNERS; METHANE AB We demonstrate the use of compact solar-tracking Fourier transform spectrometers (Bruker EM27/SUN) for differential measurements of the column-averaged dry-air mole fractions of CH4 and CO2 within urban areas. Using Allan variance analysis, we show that the differential column measurement has a precision of 0.01% for X-CO2 and X-CH4 with an optimum integration time of 10 min, corresponding to Allan deviations of 0.04 ppm and 0.2 ppb, respectively. The sensor system is very stable over time and after relocation across the continent. We report tests of the differential column measurement, and its sensitivity to emission sources, by measuring the downwind-minus-upwind column difference Delta X-CH4 across dairy farms in the Chino area, California, and using the data to verify emissions reported in the literature. Ratios of spatial column differences Delta X-CH4/Delta X-CO2 were observed across Pasadena within the Los Angeles basin, indicating values consistent with regional emission ratios from the literature. Our precise, rapid measurements allow us to determine significant short-term variations (5-10 min) of X-CO2 and X-CH4 and to show that they represent atmospheric phenomena. Overall, this study helps establish a range of new applications for compact solar-viewing Fourier transform spectrometers. By accurately measuring the small differences in integrated column amounts across local and regional sources, we directly observe the mass loading of the atmosphere due to the influence of emissions in the intervening locale. The inference of the source strength is much more direct than in-version modeling using only surface concentrations and less subject to errors associated with small-scale transport phenomena. C1 [Chen, Jia; Jones, Taylor; Franklin, Jonathan E.; Gottlieb, Elaine W.; Wofsy, Steven C.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Chen, Jia; Jones, Taylor; Franklin, Jonathan E.; Gottlieb, Elaine W.; Wofsy, Steven C.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. [Viatte, Camille; Hedelius, Jacob K.; Wennberg, Paul O.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. [Parker, Harrison; Dubey, Manvendra K.] Los Alamos Natl Lab, Earth & Environm Sci, Los Alamos, NM 87545 USA. [Chen, Jia] Tech Univ Munich, Elect & Comp Engn, D-80333 Munich, Germany. RP Chen, J (reprint author), Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.; Chen, J (reprint author), Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA.; Chen, J (reprint author), Tech Univ Munich, Elect & Comp Engn, D-80333 Munich, Germany. EM jia.chen@tum.de RI Dubey, Manvendra/E-3949-2010; OI Dubey, Manvendra/0000-0002-3492-790X; Hedelius, Jacob/0000-0003-2025-7519 FU National Science Foundation [1337512]; Technische Universitat Mtinchen Institute for Advanced Study; German Excellence Initiative; European Union [291763]; NASA's Carbon Monitoring Program FX We thank Bruce Daube and John Budney for the preparation of the measurement campaign in Chino and Pasadena and for building the weather stations and the enclosures for the spectrometers. We thank Frank Hase for help with the PROFFIT retrieval software, Matthias Frey for instructions on the ILS measurements, and Matthaus Kiel for the Calpy software. We thank Yanina Barrera for the lidar data and Frank Hase, Kelly Chance, Christoph Gerbig, Bruce Daube, John Budney, Bill Munger, Rachel Chang, and Kathryn McKain for fruitful discussions. Funding for this study was provided by the National Science Foundation through Major Research Instrumentation Award 1337512 "Acquisition of Mesoscale Network of Surface Sensors and Solar-tracking Spectrometers". Jia Chen was partly supported by Technische Universitat Mtinchen Institute for Advanced Study, funded by the German Excellence Initiative and the European Union Seventh Framework Programme under grant agreement no. 291763. Harrison Parker and Manvendra K. Dubey (Los Alamos National Laboratory) acknowledge NASA's Carbon Monitoring Program for funding the EM27/SUN application development. The authors gratefully acknowledge the NOAA Air Resources Laboratory (ARL) for the provision of the HYSPLIT transport and dispersion model. The authors would also like to thank the anonymous reviewers for helpful comments. NR 53 TC 2 Z9 2 U1 2 U2 2 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 2016 VL 16 IS 13 BP 8479 EP 8498 DI 10.5194/acp-16-8479-2016 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DS9GQ UT WOS:000381091400027 ER PT J AU Getsoian, A Das, U Camacho-Bunquin, J Zhang, GH Gallagher, JR Hu, B Cheah, S Schaidle, JA Ruddy, DA Hensley, JE Krause, TR Curtiss, LA Miller, JT Hock, AS AF Getsoian, Andrew Bean Das, Ujjal Camacho-Bunquin, Jeffrey Zhang, Guanghui Gallagher, James R. Hu, Bo Cheah, Singfoong Schaidle, Joshua A. Ruddy, Daniel A. Hensley, Jesse E. Krause, Theodore R. Curtiss, Larry A. Miller, Jeffrey T. Hock, Adam S. TI Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES SO CATALYSIS SCIENCE & TECHNOLOGY LA English DT Article ID RAY-ABSORPTION-SPECTROSCOPY; DENSITY-FUNCTIONAL THEORY; SELECTIVE PROPANE DEHYDROGENATION; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ETHANE DEHYDROGENATION; AROMATIZATION CATALYSTS; ZEOLITE CATALYSTS; HETEROGENEOUS CATALYSIS; CHEMICAL-STATE AB Gallium-modified zeolites are known catalysts for the dehydrogenation of alkanes, reactivity that finds industrial application in the aromatization of light alkanes by Ga-ZSM5. While the role of gallium cations in alkane activation is well known, the oxidation state and coordination environment of gallium under reaction conditions has been the subject of debate. Edge shifts in Ga K-edge XANES spectra acquired under reaction conditions have long been interpreted as evidence for reduction of Ga(III) to Ga(I). However, a change in oxidation state is not the only factor that can give rise to a change in the XANES spectrum. In order to better understand the XANES spectra of working catalysts, we have synthesized a series of molecular model compounds and grafted surface organometallic Ga species and compared their XANES spectra to those of gallium-based catalysts acquired under reducing conditions. We demonstrate that changes in the identity and number of gallium nearest neighbors can give rise to changes in XANES spectra similar to those attributed in literature to changes in oxidation state. Specifically, spectral features previously attributed to Ga(I) may be equally well interpreted as evidence for low-coordinate Ga(III) alkyl or hydride species. These findings apply both to gallium-impregnated zeolite catalysts and to silica-supported single site gallium catalysts, the latter of which is found to be active and selective for dehydrogenation of propane and hydrogenation of propylene. C1 [Getsoian, Andrew Bean; Camacho-Bunquin, Jeffrey; Zhang, Guanghui; Gallagher, James R.; Hu, Bo; Krause, Theodore R.; Miller, Jeffrey T.; Hock, Adam S.] Argonne Natl Lab, Chem Sci & Engn, Lemont, IL 60439 USA. [Das, Ujjal; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. [Zhang, Guanghui; Hu, Bo; Hock, Adam S.] IIT, Dept Chem, Chicago, IL 60616 USA. [Cheah, Singfoong; Schaidle, Joshua A.; Ruddy, Daniel A.; Hensley, Jesse E.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Miller, Jeffrey T.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. RP Miller, JT; Hock, AS (reprint author), Argonne Natl Lab, Chem Sci & Engn, Lemont, IL 60439 USA.; Hock, AS (reprint author), IIT, Dept Chem, Chicago, IL 60616 USA.; Miller, JT (reprint author), Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. EM mill1194@purdue.edu; ahock@iit.edu RI Zhang, Guanghui/C-4747-2008; OI Zhang, Guanghui/0000-0002-5854-6909; Hock, Adam/0000-0003-1440-1473 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; U.S. Department of Energy [DE-AC02-06CH11357]; Illinois Institute of Technology for a Starr-Fieldhouse Fellowship; Laboratory Directed Research and Development Program at the National Renewable Energy Laboratory; Department of Energy's Bioenergy Technology Office [DE-AC36-08-GO28308]; Advanced Photon Source, U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]; Department of Energy; MRCAT member institutions FX The work at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Argonne is operated by UChicago Argonne, LLC, for the U.S. Department of Energy under contract DE-AC02-06CH11357. B.H. and A.S.H. would like to thank the Illinois Institute of Technology for a Starr-Fieldhouse Fellowship (BH) and startup funding support. This work is also supported by the Laboratory Directed Research and Development Program at the National Renewable Energy Laboratory and the Department of Energy's Bioenergy Technology Office under Contract DE-AC36-08-GO28308. 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 DE-AC02-06CH11357. X-ray absorption measurements were performed in collaboration with the Materials Research Collaborative Access Team (MRCAT, Sectors 10BM and 10ID). MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. Theoretical calculations were performed using the computational resources available at the Argonne National Laboratory Center for Nano-scale Materials (CNM) and the computing resources provided on Fusion and Blues, two high-performance computing clusters operated by the Laboratory Computing Resource Center (LCRC) at Argonne National Laboratory. NR 81 TC 4 Z9 4 U1 8 U2 10 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 2016 VL 6 IS 16 BP 6339 EP 6353 DI 10.1039/c6cy00698a PG 15 WC Chemistry, Physical SC Chemistry GA DT4GY UT WOS:000381439400019 ER PT J AU Yu, JC Zhou, YF Hua, X Liu, SQ Zhu, ZH Yu, XY AF Yu, Jiachao Zhou, Yufan Hua, Xin Liu, Songqin Zhu, Zihua Yu, Xiao-Ying TI Capturing the transient species at the electrode-electrolyte interface by in situ dynamic molecular imaging SO CHEMICAL COMMUNICATIONS LA English DT Article ID AUROUS OXIDE; TOF-SIMS; SURFACES AB In situ time-resolved identification of interfacial transient reaction species were captured using imaging mass spectrometry, leading to the discovery of more complex elementary electrode reactions and providing an unprecedented understanding of the reaction mechanism on the electrode surface and solid-electrolyte interface using dynamic molecular imaging. C1 [Yu, Jiachao; Hua, Xin; Liu, Songqin] Southeast Univ, Sch Chem & Chem Engn, Jiangsu Prov Hitech Key Lab Biomed Res, Nanjing 210096, Jiangsu, Peoples R China. [Yu, Jiachao; Hua, Xin; Yu, Xiao-Ying] Pacific Northwest Natl Lab, Earth & Biol Sci Directorate, Richland, WA 99354 USA. [Zhou, Yufan; Zhu, Zihua] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. RP Liu, SQ (reprint author), Southeast Univ, Sch Chem & Chem Engn, Jiangsu Prov Hitech Key Lab Biomed Res, Nanjing 210096, Jiangsu, Peoples R China.; Yu, XY (reprint author), Pacific Northwest Natl Lab, Earth & Biol Sci Directorate, Richland, WA 99354 USA.; Zhu, ZH (reprint author), Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. EM liusq@seu.edu.cn; zihua.zhu@pnnl.gov; xiaoying.yu@pnnl.gov RI Zhu, Zihua/K-7652-2012 FU Technical Investment Council Laboratory Directed Research and Development (LDRD), Chemical Imaging Initiative (CII); FY16 open call LDRD; Pacific Northwest National Laboratory (PNNL); OBER FX Support was provided by the Technical Investment Council Laboratory Directed Research and Development (LDRD), Chemical Imaging Initiative (CII), an FY16 open call LDRD, and the fast deployment program of the Pacific Northwest National Laboratory (PNNL). Research was performed in the W. R. Wiley Environmental Molecular Sciences Laboratory sponsored by OBER. A US patent (9274059 B2) of the electrochemical microreactor was issued. NR 19 TC 4 Z9 4 U1 10 U2 10 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 2016 VL 52 IS 73 BP 10952 EP 10955 DI 10.1039/c6cc02893d PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DV1IH UT WOS:000382674000003 PM 27500288 ER PT J AU He, WH Livshits, MY Dickie, DA Yang, JZ Quinnett, R Rack, JJ Wu, Q Qin, Y AF He, Wenhan Livshits, Maksim Y. Dickie, Diane A. Yang, Jianzhong Quinnett, Rachel Rack, Jeffrey J. Wu, Qin Qin, Yang TI A "roller-wheel" Pt-containing small molecule that outperforms its polymer analogs in organic solar cells SO CHEMICAL SCIENCE LA English DT Article ID POWER CONVERSION EFFICIENCY; DENSITY-FUNCTIONAL THEORY; TRANSFER EXCITED-STATES; CONJUGATED POLYMERS; PHOTOVOLTAIC PROPERTIES; CHARGE-TRANSFER; IRIDIUM COMPLEXES; TRANSPORT; SEMICONDUCTORS; ABSORPTION AB A novel Pt-bisacetylide small molecule (Pt-SM) featuring "roller-wheel" geometry was synthesized and characterized. When compared with conventional Pt-containing polymers and small molecules having "dumbbell" shaped structures, Pt-SM displays enhanced crystallinity and intermolecular pi-pi interactions, as well as favorable panchromatic absorption behaviors. Organic solar cells (OSCs) employing Pt-SM achieve power conversion efficiencies (PCEs) up to 5.9%, the highest reported so far for Pt-containing polymers and small molecules. C1 [He, Wenhan; Livshits, Maksim Y.; Dickie, Diane A.; Yang, Jianzhong; Rack, Jeffrey J.; Qin, Yang] Univ New Mexico, Dept Chem & Chem Biol, MSC03 2060,1 UNM, Albuquerque, NM 87131 USA. [Quinnett, Rachel] Kansas State Univ, Dept Chem Engn, 1005 Durland Hall, Manhattan, KS 66506 USA. [Wu, Qin] Brookhaven Natl Lab, Ctr Funct Nanomat, POB 5000, Upton, NY 11973 USA. RP Qin, Y (reprint author), Univ New Mexico, Dept Chem & Chem Biol, MSC03 2060,1 UNM, Albuquerque, NM 87131 USA. EM yangqin@unm.edu OI Dickie, Diane/0000-0003-0939-3309 FU NSF [DMR-1453083, CHE08-40523, CHE09-46690]; U. S. DOE Office of Science Facility at Brookhaven National Laboratory [DE-SC0012704]; NSF CRIF:MU award [CHE04-43580] FX The authors would like to acknowledge NSF (DMR-1453083) for financial support for this research. The Bruker X-ray diffractometer was purchased via an NSF CRIF:MU award to the University of New Mexico (CHE04-43580), and the NMR spectrometers were upgraded via grants from the NSF (CHE08-40523 and CHE09-46690). All DFT calculations were performed at the Center for Functional Nanomaterials, which is a U. S. DOE Office of Science Facility at Brookhaven National Laboratory under Contract No. DE-SC0012704. NR 64 TC 0 Z9 0 U1 6 U2 6 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 2016 VL 7 IS 9 BP 5798 EP 5804 DI 10.1039/c6sc00513f PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA DU8TS UT WOS:000382488500024 ER PT J AU Mayes, HB Knott, BC Crowley, MF Broadbelt, LJ Stahlberg, J Beckham, GT AF Mayes, Heather B. Knott, Brandon C. Crowley, Michael F. Broadbelt, Linda J. Stahlberg, Jerry Beckham, Gregg T. TI Who's on base? Revealing the catalytic mechanism of inverting family 6 glycoside hydrolases SO CHEMICAL SCIENCE LA English DT Article ID O-GLCNAC TRANSFERASE; AROMATIC-CARBOHYDRATE INTERACTIONS; BINDING FREE-ENERGY; TRICHODERMA-REESEI; CELLOBIOHYDROLASE CEL6A; MOLECULAR-DYNAMICS; CELLULOSE HYDROLYSIS; COMPUTER-SIMULATIONS; PROCESSIVE CELLULASE; ENZYMATIC CATALYSIS AB In several important classes of inverting carbohydrate-active enzymes, the identity of the catalytic base remains elusive, including in family 6 Glycoside Hydrolase (GH6) enzymes, which are key components of cellulase cocktails for cellulose depolymerization. Despite many structural and kinetic studies with both wild-type and mutant enzymes, especially on the Trichoderma reesei (Hypocrea jecorina) GH6 cellulase (TrCel6A), the catalytic base in the single displacement inverting mechanism has not been definitively identified in the GH6 family. Here, we employ transition path sampling to gain insight into the catalytic mechanism, which provides unbiased atomic-level understanding of key order parameters involved in cleaving the strong glycosidic bond. Our hybrid quantum mechanics and molecular mechanics (QM/MM) simulations reveal a network of hydrogen bonding that aligns two active site water molecules that play key roles in hydrolysis: one water molecule drives the reaction by nucleophilic attack on the substrate and a second shuttles a proton to the putative base (D175) via a short water wire. We also investigated the case where the putative base is mutated to an alanine, an enzyme that is experimentally still partially active. The simulations predict that proton hopping along a water wire via a Grotthuss mechanism provides a mechanism of catalytic rescue. Further simulations reveal that substrate processive motion is 'driven' by strong electrostatic interactions with the protein at the product sites and that the -1 sugar adopts a S-2(O) ring configuration as it reaches its binding site. This work thus elucidates previously elusive steps in the processive catalytic mechanism of this important class of enzymes. C1 [Mayes, Heather B.; Broadbelt, Linda J.] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA. [Mayes, Heather B.; Knott, Brandon C.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Crowley, Michael F.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Stahlberg, Jerry] Swedish Univ Agr Sci, Dept Chem & Biotechnol, SE-75007 Uppsala, Sweden. RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.; Stahlberg, J (reprint author), Swedish Univ Agr Sci, Dept Chem & Biotechnol, SE-75007 Uppsala, Sweden. EM jerry.stahlberg@slu.se; gregg.beckham@nrel.gov RI Stahlberg, Jerry/D-4163-2013 OI Stahlberg, Jerry/0000-0003-4059-8580 FU Department of Energy (DOE) Computational Science Graduate Fellowship (CSGF) [DE-FG02-97ER25308]; ARCS Foundation Inc., Chicago; NREL; DOE BioEnergy Technologies Office; DOE Office of EERE [DE-AC36-08GO28308]; Extreme Science and Engineering Discovery Environment (XSEDE) - National Science Foundation [MCB-090159, ACI-1053575] FX H. B. M. was supported by the Department of Energy (DOE) Computational Science Graduate Fellowship (CSGF), which is provided under grant number DE-FG02-97ER25308 and by an award from the ARCS Foundation Inc., Chicago Chapter. B. C. K. and G. T. B. thank the NREL Director's Fellowship Program for funding. G. T. B. also acknowledges funding from the DOE BioEnergy Technologies Office. The authors gratefully thank Dr Andreas W. Gotz for helpful conversations on QM/MM simulations. This research used resources of the NREL Computational Sciences Center supported by the DOE Office of EERE under contract number DE-AC36-08GO28308 and the Extreme Science and Engineering Discovery Environment (XSEDE)104 allocation MCB-090159, which is supported by National Science Foundation grant number ACI-1053575. NR 104 TC 0 Z9 0 U1 17 U2 19 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 2016 VL 7 IS 9 BP 5955 EP 5968 DI 10.1039/c6sc00571c PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA DU8TS UT WOS:000382488500044 ER PT J AU Witman, M Ling, SL Anderson, S Tong, LH Stylianou, KC Slater, B Smit, B Haranczyk, M AF Witman, Matthew Ling, Sanliang Anderson, Samantha Tong, Lianheng Stylianou, Kyriakos C. Slater, Ben Smit, Berend Haranczyk, Maciej TI In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis SO CHEMICAL SCIENCE LA English DT Article ID METAL-ORGANIC FRAMEWORKS; CARBON-DIOXIDE; FORCE-FIELD; ADSORPTION; CAPTURE; CO2; PSEUDOPOTENTIALS; DENSITY; METHANE; STORAGE AB In this work we present the in silico design of metal-organic frameworks (MOFs) exhibiting 1-dimensional rod topologies. We introduce an algorithm for construction of this family of MOF topologies, and illustrate its application for enumerating MOF-74-type analogs. Furthermore, we perform a broad search for new linkers that satisfy the topological requirements of MOF-74 and consider the largest database of known chemical space for organic compounds, the PubChem database. Our in silico crystal assembly, when combined with dispersion-corrected density functional theory (DFT) calculations, is demonstrated to generate a hypothetical library of open-metal site containing MOF-74 analogs in the 1-D rod topology from which we can simulate the adsorption behavior of CO2. We finally conclude that these hypothetical structures have synthesizable potential through computational identification and experimental validation of a novel MOF-74 analog, Mg-2(olsalazine). C1 [Witman, Matthew; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Ling, Sanliang; Slater, Ben] UCL, Dept Chem, 20 Gordon St, London WC1H 0AJ, England. [Anderson, Samantha; Stylianou, Kyriakos C.; Smit, Berend] Ecole Polytech Fed Lausanne, Lab Mol Simulat, Inst Sci & Ingn Chim, Rue Ind 17, CH-1951 Sion, Valais, Switzerland. [Tong, Lianheng] Kings Coll London, Dept Phys, London WC2R 2LS, England. [Haranczyk, Maciej] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Haranczyk, Maciej] IMDEA Mat Inst, C Eric Kandel 2, Madrid 28906, Spain. RP Haranczyk, M (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.; Haranczyk, M (reprint author), IMDEA Mat Inst, C Eric Kandel 2, Madrid 28906, Spain. EM mharanczyk@lbl.gov RI Smit, Berend/B-7580-2009; OI Smit, Berend/0000-0003-4653-8562; Ling, Sanliang/0000-0003-1574-7476; Slater, Ben/0000-0001-9738-5848 FU Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0001015]; European Research Council under the European Union's Seventh Framework Programme (FP)/ERC Grant [666983]; EPSRC [EP/K039296/1, EP/K038400/1, EP/K038222/1, EP/L000202]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-FG02-12ER16362]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX M. W. and B. Smit were 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, Basic Energy Sciences under Award #DE-SC0001015. B. Smit has also received funding from the European Research Council under the European Union's Seventh Framework Programme (FP/2007-2013)/ERC Grant Agreement n. 666983 - MaGic. S. L. and B. Slater were supported by EPSRC (EP/K039296/1 and EP/K038400/1), and L. T. was supported by EPSRC (EP/K038222/1). M. H. 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. This research used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Part of the computational work was performed on ARCHER through our membership of the HPC Materials Chemistry Consortium funded by EPSRC (EP/L000202). NR 44 TC 3 Z9 3 U1 7 U2 11 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 2016 VL 7 IS 9 BP 6263 EP 6272 DI 10.1039/c6sc01477a PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA DU8TS UT WOS:000382488500079 ER PT J AU Lyons, R Law, R Schier, J AF Lyons, Rebecca Law, Royal Schier, Joshua TI Public Health Actions Based on Incidents of Public Health Significance Identified by National Surveillance of Poison Center Data SO CLINICAL TOXICOLOGY LA English DT Meeting Abstract DE NPDS; Public Health; Surveillance C1 [Lyons, Rebecca] ORISE, Oak Ridge, TN USA. [Law, Royal; Schier, Joshua] CDC NCEH EHHE HSB, Atlanta, GA USA. EM rlyons@cdc.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1556-3650 EI 1556-9519 J9 CLIN TOXICOL JI Clin. Toxicol. PY 2016 VL 54 IS 8 MA 6 BP 661 EP 662 PG 2 WC Toxicology SC Toxicology GA DT2ER UT WOS:000381294100016 ER PT J AU Word, TA Karolak, A Cioce, CR Van Der Vaart, A Larsen, RW AF Word, Tarah A. Karolak, Aleksandra Cioce, Christian R. Van Der Vaart, Arjan Larsen, Randy W. TI Using Photoacoustic Calorimetry to Study the cis- to trans-Photoisomerization of the [Ru(II)(2,2 '-bipyridine)(2)(H2O)(2)](2+) Complex in Aqueous Solution SO COMMENTS ON INORGANIC CHEMISTRY LA English DT Article DE Ru(II)bipyridine; photoacoustic calorimetry; ligand photorelease; ligand photoexchange; cis-trans isomerization ID PHOTOSUBSTITUTION REACTIONS; CRYSTAL-STRUCTURE; BASIS-SETS; POTENTIALS; RUTHENIUM; BINDING; VOLUME AB The mechanism associated with the cis- to trans-photoisomerization of Ru(II) (2,2'-bipyridine)(2)(H2O)(2) ([Ru(bpy)(2)(H2O)(2)](2+)) complex in water has been examined using photoacoustic calorimetry (PAC) and density functional theory (DFT). Photolysis of the cis-[Ru(bpy)(2)(H2O)(2)](2+) complex results in a Delta H of -27 +/- 5 kcal mol(-1) and Delta V of 0.1 +/- 2 mL mol(-1). The DFT calculations give a Delta Ecis-trans of + 12 kcal mol-1, indicating that the observed Delta H contains significant contributions from changes in solvation. The DFT analysis of putative intermediates [Ru(bpy)(2)(H2O)](2+) and [Ru(bpy)(2)(H2O)(3)](2+) suggests the possibility of an associative mechanism for the isomerization process. C1 [Word, Tarah A.] Baylor Coll Med, Mol Physiol & Biophys, Houston, TX 77030 USA. [Karolak, Aleksandra] H Lee Moffitt Canc Ctr & Res Inst, Integrated Math Oncol, Tampa, FL USA. [Cioce, Christian R.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Van Der Vaart, Arjan; Larsen, Randy W.] Univ S Florida, Dept Chem, 4202 East Fowler Ave, Tampa, FL 33620 USA. RP Larsen, RW (reprint author), Univ S Florida, Dept Chem, 4202 East Fowler Ave, Tampa, FL 33620 USA. EM rwlarsen@usf.edu FU University of South Florida Office of Research and Innovation FX The authors acknowledge the University of South Florida Office of Research and Innovation for support of this work. NR 25 TC 0 Z9 0 U1 3 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0260-3594 EI 1548-9574 J9 COMMENT INORG CHEM JI Comments Inorganic Chem. PY 2016 VL 36 IS 6 BP 343 EP 354 DI 10.1080/02603594.2016.1183488 PG 12 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DU5NU UT WOS:000382259300003 ER PT J AU Frank, M Hauck, C Kupper, K AF Frank, Martin Hauck, Cory Kuepper, Kerstin TI CONVERGENCE OF FILTERED SPHERICAL HARMONIC EQUATIONS FOR RADIATION TRANSPORT SO COMMUNICATIONS IN MATHEMATICAL SCIENCES LA English DT Article DE Spectral filtering; spherical harmonics; radiation transport ID KINETIC-EQUATIONS; QUADRATURE METHOD; MOMENT CLOSURE; ENTROPY; APPROXIMATION AB We analyze the global convergence properties of the filtered spherical harmonic (FPN) equations for radiation transport. The well-known spherical harmonic (PN) equations are a spectral method (in angle) for the radiation transport equation and are known to suffer from Gibbs phenomena around discontinuities. The filtered equations include additional terms to address this issue that are derived via a spectral filtering procedure. We show explicitly how the global L-2 convergence rate (in space and angle) of the spectral method to the solution of the transport equation depends on the smoothness of the solution (in angle only) and on the order of the filter. The results are confirmed by numerical experiments. Numerical tests have been implemented in MATLAB and are available online. C1 [Frank, Martin; Kuepper, Kerstin] Dept Math, Schinkelstr 2, D-52062 Aachen, Germany. [Frank, Martin; Kuepper, Kerstin] Ctr Computat Engn Sci, Schinkelstr 2, D-52062 Aachen, Germany. [Hauck, Cory] Oak Ridge Natl Lab, Appl & Computat Math Grp, POB 2008 MS6164, Oak Ridge, TN 37831 USA. [Hauck, Cory] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. RP Frank, M (reprint author), Dept Math, Schinkelstr 2, D-52062 Aachen, Germany.; Frank, M (reprint author), Ctr Computat Engn Sci, Schinkelstr 2, D-52062 Aachen, Germany. EM frank@mathcces.rvrth-aachen.de; hauckc@ornl.gov; kuepper@mathcces.rwth-aachen.de FU U.S. Government [DE-AC05-00OR22725]; National Science Foundation [1217170]; NSF RNMS (KI-Net) Grant [11-07291] FX The submitted manuscript has been authored, in part, by a contractor of the U.S. Government under Contract No. DE-AC05-00OR22725. Accordingly, the U.S. Government retains a non-exclusive, royalty free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. This material is based, in part, upon work supported by the National Science Foundation under Grant No. 1217170 and by NSF RNMS (KI-Net) Grant No. 11-07291. NR 39 TC 2 Z9 2 U1 0 U2 0 PU INT PRESS BOSTON, INC PI SOMERVILLE PA PO BOX 43502, SOMERVILLE, MA 02143 USA SN 1539-6746 J9 COMMUN MATH SCI JI Commun. Math. Sci. PY 2016 VL 14 IS 5 BP 1443 EP 1465 PG 23 WC Mathematics, Applied SC Mathematics GA DV0IS UT WOS:000382601800010 ER PT J AU Donakowski, MD Wallace, JM Sassin, MB Chapman, KW Parker, JF Long, JW Rolison, DR AF Donakowski, Martin D. Wallace, Jean M. Sassin, Megan B. Chapman, Karena W. Parker, Joseph F. Long, Jeffrey W. Rolison, Debra R. TI Crystal engineering in 3D: converting nanoscale lamellar manganese oxide to cubic spinel while affixed to a carbon architecture SO CRYSTENGCOMM LA English DT Article ID PAIR DISTRIBUTION FUNCTION; LOCAL ATOMIC-STRUCTURE; LITHIUM-ION BATTERIES; X-RAY-DIFFRACTION; SOLID-STATE NMR; ELECTROLESS DEPOSITION; CATHODE MATERIAL; NANOTUBES; NANOARCHITECTURES; FILMS AB By applying differential pair distribution function (DPDF) analyses to the energy-storage relevant MnOx/carbon system-but in a 3D architectural rather than powder-composite configuration-we can remove contributions of the carbon nanofoam paper scaffold and quantify the multiphasic oxide speciation as the nanoscale, disordered MnOx grafted to the carbon walls (MnOx@CNF) structurally rearranges in situ from disordered birnessite AMnOx (A = Na+; Li+) to tetragonal Mn3O4 to spinel LiMn2O4. The first reaction step involves topotactic exchange of interlayer Na+ by Li+ in solution followed by thermal treatments to crystal engineer the similar to 10 nm-thick 2D layered oxide throughout the macroscale nanofoam paper into a cubic phase. The oxide remains affixed to the walls of the nanofoam throughout the phase transformations. The DPDF fits are improved by retention of one plane of birnessite-like oxide after conversion to spinel. We support the DPDF-derived assignments by X-ray photoelectron spectroscopy and Raman spectroscopy, the latter of which tracks how crystal engineering the oxide affects the disorder of the carbon substrate. We further benchmark MnOx@CNF with nonaqueous electrochemical measurements versus lithium as the oxide converts from X-ray-amorphous birnessite to interlayer-registered LiMnOx to spinel. The lamellar AMnOx displays pseudocapacitive electrochemical behavior, with a doubling of specific capacitance for the interlayer-registered LiMnOx, while the spinel LiMn2O4@CNF displays a faradaic electrochemical response characteristic of Li-ion insertion. Our results highlight the need for holistic understanding when crystal engineering an (atomistic) charge-storing phase within the (architectural) structure of practical electrodes. C1 [Donakowski, Martin D.] CNR, Washington, DC USA. [Donakowski, Martin D.; Wallace, Jean M.; Sassin, Megan B.; Parker, Joseph F.; Long, Jeffrey W.; Rolison, Debra R.] US Naval Res Lab, Surface Chem Branch Code 6170, Washington, DC 20375 USA. [Wallace, Jean M.] Nova Res Inc, 1900 Elkin St, Alexandria, VA 22308 USA. [Chapman, Karena W.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Rolison, DR (reprint author), US Naval Res Lab, Surface Chem Branch Code 6170, Washington, DC 20375 USA. EM rolison@nrl.navy.mil FU U.S. Office of Naval Research; National Research Council; DOE Office of Science [DE-AC02-06CH11357] FX This work was supported by the U.S. Office of Naval Research. M. D. D. acknowledges the National Research Council for a Postdoctoral Fellowship (2014-2017). This research used resources of the Advanced Photon Source (APS), 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. The PDF experiments were conducted at 11-ID-B of the APS. A synchrotron PXRD pattern was obtained via the mail-in program at 11-BM of the APS. We thank Dr. Mikhail Feygenson (Oak Ridge National Laboratory) and the 11-ID-B/NOMAD partner program for initial data collection of pair distribution function data. NR 54 TC 1 Z9 1 U1 7 U2 8 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 2016 VL 18 IS 32 BP 6035 EP 6048 DI 10.1039/c6ce00861e PG 14 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA DT4EI UT WOS:000381432500010 ER PT J AU Levin, EM Kramer, MJ AF Levin, E. M. Kramer, M. J. TI Role of chemically and thermally induced crystal lattice distortion in enhancing the Seebeck coefficient in complex tellurides SO CRYSTENGCOMM LA English DT Article ID PHASE-CHANGE MATERIALS; THERMOELECTRIC-MATERIALS; TRANSITION; GETE AB Composition and crystal structure of complex materials can significantly change the Seebeck effect, i.e., heat to electrical energy conversion, which is utilized in thermoelectric materials. Despite decades of studies of various thermoelectric materials and their application, the fundamental understanding of this effect still is limited. One of the most efficient groups of thermoelectric materials is based on GeTe, where Ge is replaced by [Ag + Sb], i.e., AgxSbxGe50-2xTe50 alloys, traditionally shown as (GeTe)(m)(AgSbTe2)(100-m) (TAGS-m series). Here we report on the discovery of two unique phenomena in TAGS materials attributed to the effects from [Ag + Sb] atoms: (i) a linear relation between the Seebeck coefficient and rhombohedral lattice distortion, and (ii) resonance-like temperature-induced behavior of the contribution to the Seebeck coefficient produced by [Ag + Sb] atoms. Our findings show that heat to electrical energy conversion strongly depends on the temperature-and compositionally-induced rhombohedral to cubic transformation where [Ag + Sb] atoms play a crucial mediating role. C1 [Levin, E. M.; Kramer, M. J.] US DOE, Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. [Levin, E. M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Kramer, M. J.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Levin, EM (reprint author), US DOE, Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA.; Levin, EM (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. FU U.S. DOE, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; U.S. Department of Energy [DE-AC02-07CH11358] FX The authors thank Materials Preparation Center, Ames Laboratory, U.S. Department of Energy (DOE) Basic Energy Sciences, Ames, for sample synthesis, W. Straszheim (Ames Laboratory and Materials Analysis and Research Laboratory, Iowa State University, ISU) for SEM and EDS experiments, K. Schmidt-Rohr (Brandeis University) for interest in this work, R. Hanus, A. Howard, and Z. Swanson (ISU) for help with experiments. This work was supported by the U.S. DOE, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The research was performed at the Ames Laboratory, which is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 36 TC 0 Z9 0 U1 7 U2 7 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 2016 VL 18 IS 35 BP 6632 EP 6639 DI 10.1039/c6ce01405d PG 8 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA DV1LN UT WOS:000382682700010 ER PT J AU Bonner, IJ Thompson, DN Plummer, M Dee, M Tumuluru, JS Pace, D Teymouri, F Campbell, T Bals, B AF Bonner, Ian Jeffery Thompson, David N. Plummer, Mitchell Dee, Matthew Tumuluru, Jaya Shankar Pace, David Teymouri, Farzaneh Campbell, Timothy Bals, Bryan TI Impact of ammonia fiber expansion (AFEX) pretreatment on energy consumption during drying, grinding, and pelletization of corn stover SO DRYING TECHNOLOGY LA English DT Article DE Biomass; energy analysis; heat and mass transfer; mathematical modeling; rotary drying ID PHYSICAL-PROPERTIES; ETHANOL-PRODUCTION; WOODY BIOMASS; STRAWS; BARLEY; WHEAT AB Pretreatment and densification of biomass can increase the viability of bioenergy production by providing a feedstock that is readily hydrolyzed and able to be transported over greater distances. Ammonia fiber expansion (AFEX) is one such method targeted for use at distributed depots to create a value-added and densified feedstock for bioenergy use. However, the pretreatment process results in a high-moisture material that must be dried, further size reduced, and pelletized, all of which are energy-intensive processes. This work quantifies the energy consumption required to dry, grind, and densify AFEX-pretreated corn stover compared to non-pretreated stover and explores the potential of reduced drying as a means to conserve energy. The purpose of this work is to understand whether material property changes resulting from AFEX pretreatment influence the material performance in downstream formatting operations. Material properties, heat balance equations, and a rotary drum dryer model were used to model a commercial-scale rotary drum dryer for AFEX-pretreated corn stover, showing the potential to reduce dryer energy consumption by up to 36% compared to non-pretreated corn stover. Laboratory-measured grinding and pelleting energies were both very sensitive to material moisture content. Overall, the total energy required for drying, grinding, and pelleting amounts to a savings of up to 23kWh/dry Mg for the AFEX-pretreated material when dried to a low moisture content, equating to up to 0.61 $/Mg savings for gas and electricity. Grinding and pelleting of high-moisture AFEX-pretreated stover was shown to be more costlier than the savings collected through reduced drying. Although the energy and cost savings shown here are modest, the results help to highlight operational challenges and opportunities for continued improvement. C1 [Bonner, Ian Jeffery; Dee, Matthew; Tumuluru, Jaya Shankar; Pace, David] Idaho Natl Lab, Biofuels & Renewable Energy Technol Dept, Idaho Falls, ID USA. [Thompson, David N.] Idaho Natl Lab, Biol & Chem Proc Dept, Idaho Falls, ID USA. [Plummer, Mitchell] Idaho Natl Lab, Energy Resource Recovery & Sustainabil Dept, Idaho Falls, ID USA. [Teymouri, Farzaneh; Campbell, Timothy; Bals, Bryan] Michigan Biotechnol Inst, Lansing, MI USA. RP Bonner, IJ (reprint author), Monsanto Co, Global Breeding Technol Solut, 21120 Hwy 30, Filer, ID 83328 USA. EM Ian.Jeffery.Bonner@monsanto.com NR 28 TC 0 Z9 0 U1 6 U2 6 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0737-3937 EI 1532-2300 J9 DRY TECHNOL JI Dry. Technol. PY 2016 VL 34 IS 11 BP 1319 EP 1329 DI 10.1080/07373937.2015.1112809 PG 11 WC Engineering, Chemical; Engineering, Mechanical SC Engineering GA DV0DE UT WOS:000382587400005 ER PT J AU Sun, XQ Bonnick, P Duffort, V Liu, M Rong, ZQ Persson, KA Ceder, G Nazar, LF AF Sun, Xiaoqi Bonnick, Patrick Duffort, Victor Liu, Miao Rong, Ziqin Persson, Kristin A. Ceder, Gerbrand Nazar, Linda F. TI A high capacity thiospinel cathode for Mg batteries SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID RECHARGEABLE MAGNESIUM BATTERIES; MO6S8 CHEVREL-PHASE; LITHIUM INTERCALATION; ELECTROLYTE-SOLUTIONS; TITANIUM DISULFIDE; CRYSTAL-STRUCTURE; DIFFUSION; INSERTION; CHALLENGE; IONS AB Magnesium batteries are energy storage systems that potentially offer high energy density owing to their ability to employ magnesium metal as a negative electrode. Their development, however, has been thwarted by a paucity of functional positive electrode materials after the seminal discovery of the Mo6S8 Chevrel phase over 15 years ago. Herein, we report the second such material - a thiospinel - and demonstrate fully reversible Mg2+ electrochemical cycling vs. a Mg anode, which is complemented by diffraction and first principles calculations. The capacity approaches 80% of the theoretical value at a practical rate (C/5) at 60 degrees C, and yields a specific energy of 230 Wh kg(-1), twice that of the Chevrel benchmark. Our results emphasize the advantage in employing "soft'" anions to achieve practical divalent cation mobility. C1 [Sun, Xiaoqi; Bonnick, Patrick; Duffort, Victor; Nazar, Linda F.] Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada. [Sun, Xiaoqi; Bonnick, Patrick; Duffort, Victor; Nazar, Linda F.] Univ Waterloo, Waterloo Inst Nanotechnol, Waterloo, ON N2L 3G1, Canada. [Liu, Miao; Persson, Kristin A.] Lawrence Berkeley Natl Lab, Appl Energy Mat Grp, Berkeley, CA 94720 USA. [Rong, Ziqin] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Ceder, Gerbrand] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Nazar, LF (reprint author), Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada.; Nazar, LF (reprint author), Univ Waterloo, Waterloo Inst Nanotechnol, Waterloo, ON N2L 3G1, Canada. EM lfnazar@uwaterloo.ca RI Liu, Miao/N-9937-2013; OI Liu, Miao/0000-0002-1843-9519; DUFFORT, Victor/0000-0002-9851-0310; Nazar, Linda/0000-0002-3314-8197 FU Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub - US Department of Energy (DOE), Office of Science, Basic Energy Sciences; NSERC FX This work was supported by the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences. NSERC is acknowledged by LFN for a Canada Research Chair. NR 32 TC 10 Z9 10 U1 54 U2 56 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 2016 VL 9 IS 7 BP 2273 EP 2277 DI 10.1039/c6ee00724d PG 5 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA DV2KP UT WOS:000382749700010 ER PT J AU Aguiar, JA Wozny, S Holesinger, TG Aoki, T Patel, MK Yang, MJ Berry, JJ Al-Jassim, M Zhou, WL Zhu, K AF Aguiar, Jeffery A. Wozny, Sarah Holesinger, Terry G. Aoki, Toshihiro Patel, Maulik K. Yang, Mengjin Berry, Joseph J. Al-Jassim, Mowafak Zhou, Weilie Zhu, Kai TI In situ investigation of the formation and metastability of formamidinium lead tri-iodide perovskite solar cells SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID ENERGY-LOSS SPECTROSCOPY; CH3NH3PBI3 PEROVSKITE; CONTROLLED HUMIDITY; EFFICIENCY; RESOLUTION; STABILITY; LIGHT; TRIHALIDE; EMERGENCE; CRYSTALS AB Organic-inorganic perovskites have emerged as an important class of next generation solar cells due to their remarkably low cost, band gap, and sub-900 nm absorption onset. Here, we show a series of in situ observations inside electron microscopes and X-ray diffractometers under device-relevant synthesis conditions focused on revealing the crystallization process of the formamidinium lead-triiodide perovskite at the optimum temperature of 175 degrees C. Direct in situ observations of the structure and chemistry over relevant spatial, temporal, and temperature scales enabled identification of key perovskite formation and degradation mechanisms related to grain evolution and interface chemistry. The lead composition was observed to fluctuate at grain boundaries, indicating a mobile lead-containing species, a process found to be partially reversible at a key temperature of 175 degrees C. Using low energy electron microscopy and valence electron energy loss spectroscopy, lead is found to be bonded in the grain interior with iodine in a tetrahedral configuration. At the grain boundaries, the binding energy associated with lead is consequently shifted by nearly 2 eV and a doublet peak is resolved due presumably to a greater degree of hybridization and the potential for several different bonding configurations. At the grain boundaries there is adsorption of hydrogen and OH- ions as a result of residual water vapor trapped as a non-crystalline material during formation. Insights into the relevant formation and decomposition reactions of formamidinium lead iodide at low to high temperatures, observed metastabilities, and relationship with the photovoltaic performance were obtained and used to optimize device processing resulting in conversion efficiencies of up to 17.09% within the stability period of the devices. C1 [Aguiar, Jeffery A.; Yang, Mengjin; Berry, Joseph J.; Al-Jassim, Mowafak; Zhu, Kai] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Wozny, Sarah; Zhou, Weilie] Univ New Orleans, Adv Mat Res Inst, New Orleans, LA 70148 USA. [Holesinger, Terry G.] Los Alamos Natl Lab, Los Alamos, NM USA. [Aoki, Toshihiro] Arizona State Univ, LeRoy Eyring Ctr Solid State Sci, Tempe, AZ 85287 USA. [Patel, Maulik K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Aguiar, JA (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Jeffery.Aguiar@nrel.gov; wzhou@uno.edu; Kai.Zhu@nrel.gov OI Yang, Mengjin/0000-0003-2019-4298; Aguiar, Jeffery/0000-0001-6101-4762 FU National Renewable Energy Laboratory as a part of the Non-Proprietary Partnering Program within U.S. Department of Energy [DE-AC36-08-GO28308]; DOE-Nuclear Energy University Program [DE-NE0000693]; US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division [2013LANL8400] FX This work was supported by the National Renewable Energy Laboratory as a part of the Non-Proprietary Partnering Program under Contract No. DE-AC36-08-GO28308 within the U.S. Department of Energy. Other parts of the TEM work were performed at the LeRoy Eyring Center for Solid State science at Arizona State University. The in situ high temperature X-ray diffraction experiments were performed using the instruments that were procured through the general infrastructure grant of DOE-Nuclear Energy University Program (DE-NE0000693). TGH and the hot-stage in situ (S)TEM work was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division under grant number 2013LANL8400. We would also like to acknowledge helpful discussion and editorial support from Michelle Hanenburg, Shiva Adireddy, and Taylor Woehl. NR 52 TC 4 Z9 4 U1 14 U2 20 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 2016 VL 9 IS 7 BP 2372 EP 2382 DI 10.1039/c6ee01079b PG 11 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA DV2KP UT WOS:000382749700021 ER PT J AU Sun, J Konda, NVSNM Shi, J Parthasarathi, R Dutta, T Xu, F Scown, CD Simmons, BA Singh, S AF Sun, Jian Konda, N. V. S. N. Murthy Shi, Jian Parthasarathi, Ramakrishnan Dutta, Tanmoy Xu, Feng Scown, Corinne D. Simmons, Blake A. Singh, Seema TI CO2 enabled process integration for the production of cellulosic ethanol using bionic liquids SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID YEAST SACCHAROMYCES-CEREVISIAE; IONIC LIQUIDS; CARBON-DIOXIDE; 1-ETHYL-3-METHYLIMIDAZOLIUM ACETATE; PRETREATMENT EFFICACY; BIOMASS PRETREATMENT; BIOFUEL PRODUCTION; AQUEOUS-SOLUTIONS; DISSOLUTION; CHOLINIUM AB There is a clear and unmet need for a robust and affordable biomass conversion technology that can process a wide range of biomass feedstocks and produce high yields of fermentable sugars and biofuels with minimal intervention between unit operations. The lower microbial toxicity of recently-developed renewable ionic liquids (ILs), or bionic liquids (BILs), helps overcome the challenges associated with the integration of pretreatment with enzymatic saccharification and microbial fermentation. However, the most effective BILs known to date for biomass pretreatment form extremely basic pH solutions in the presence of water, and therefore require neutralization before the pH range is acceptable for the enzymes and microbes used to complete the biomass conversion process. Neutralization using acids creates unwanted secondary effects that are problematic for efficient and cost-effective biorefinery operations using either continuous or batch modes. We demonstrate a novel approach that addresses these challenges through the use of gaseous carbon dioxide to reversibly control the pH mismatch. This approach enables the realization of an integrated biomass conversion process that eliminates the need for intermediate washing and/or separation steps. A preliminary technoeconomic analysis indicates that this integrated approach could reduce production costs by 50-65% compared to previous IL biomass conversion methods studied. C1 [Sun, Jian; Konda, N. V. S. N. Murthy; Shi, Jian; Parthasarathi, Ramakrishnan; Dutta, Tanmoy; Xu, Feng; Scown, Corinne D.; Simmons, Blake A.; Singh, Seema] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA 94608 USA. [Sun, Jian; Shi, Jian; Parthasarathi, Ramakrishnan; Dutta, Tanmoy; Xu, Feng; Scown, Corinne D.; Simmons, Blake A.; Singh, Seema] Sandia Natl Labs, Biol & Engn Sci Ctr, Livermore, CA 94551 USA. [Konda, N. V. S. N. Murthy] Lawrence Berkeley Natl Lab, Biol Syst Engn Div, Berkeley, CA USA. [Scown, Corinne D.] Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Div, Berkeley, CA USA. RP Singh, S (reprint author), Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA 94608 USA.; Singh, S (reprint author), Sandia Natl Labs, Biol & Engn Sci Ctr, Livermore, CA 94551 USA. EM seesing@sandia.gov OI Dutta, Tanmoy/0000-0002-7597-9028 FU Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. The enzymes used in this manuscript were provided by Novozymes. The authors thank Britt Abrahamson, Dr Ning Sun and Dr Douglas Higgins for assistance in IL toxicity screening experiments and Nathan Hillson for assistance in reviewing the manuscript. NR 58 TC 3 Z9 3 U1 16 U2 16 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 2016 VL 9 IS 9 BP 2822 EP 2834 DI 10.1039/c6ee00913a PG 13 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA DV2JI UT WOS:000382746300010 ER PT J AU Cai, H Wang, J Feng, Y Wang, M Qin, Z Dunn, JB AF Cai, H. Wang, J. Feng, Y. Wang, M. Qin, Z. Dunn, J. B. TI Consideration of land use change-induced surface albedo effects in life-cycle analysis of biofuels SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID REFLECTANCE DISTRIBUTION FUNCTION; CLIMATE-CHANGE; CARBON-CYCLE; COVER CHANGE; SCALE DEFORESTATION; RADIATIVE-TRANSFER; TEMPERATURE-CHANGE; MODEL SIMULATIONS; UNITED-STATES; INDIAN-OCEAN AB Land use change (LUC)-induced surface albedo effects for expansive biofuel production need to be quantified for improved understanding of biofuel climate impacts. We addressed this emerging issue for expansive biofuel production in the United States (U.S.) and compared the albedo effects with greenhouse gas emissions highlighted by traditional life-cycle analysis of biofuels. We used improved spatial representation of albedo effects in our analysis by obtaining over 1.4 million albedo observations from the Moderate Resolution Imaging Spectroradiometer flown on NASA satellites over a thousand counties representative of six Agro-Ecological Zones (AEZs) in the U.S. We utilized high-spatial-resolution, crop-specific cropland cover data from the U.S. Department of Agriculture and paired the data with the albedo data to enable consideration of various LUC scenarios. We simulated the radiative effects of LUC-induced albedo changes for seven types of crop covers using the Monte Carlo Aerosol, Cloud and Radiation model, which employs an advanced radiative transfer mechanism coupled with spatially and temporally resolved meteorological and aerosol conditions. These simulations estimated the net radiative fluxes at the top of the atmosphere as a result of the LUC-induced albedo changes, which enabled quantification of the albedo effects on the basis of radiative forcing defined by the Intergovernmental Panel on Climate Change for CO2 and other greenhouse gases effects. Finally, we quantified the LUC-induced albedo effects for production of ethanol from corn, miscanthus, and switchgrass in different AEZs of the U.S. Results show that the weighted national average albedo effect is a small cooling effect of -1.8 g CO2 equivalent (CO(2)e) for a mega-Joule (MJ) of corn ethanol, a relatively stronger warming effect of 12.1 g CO(2)e per MJ of switchgrass ethanol, and a small warming effect of 2.7 g CO(2)e per MJ of miscanthus ethanol. Significant variations in albedo-induced effects are found among different land conversions for the same biofuel, and among different AEZ regions for the same land conversion and biofuel. This spatial heterogeneity, owing to non-linear albedo dynamics and radiation processes, suggests highly variable LUC-induced albedo effects depending on geographical locations and vegetation. These findings provide new insights on potential climate effects by producing biofuels through considering biogeophysical as well as biogeochemical effects of biofuel production and use in the U.S. C1 [Cai, H.; Wang, M.; Qin, Z.; Dunn, J. B.] Argonne Natl Lab, Div Energy Syst, Syst Assessment Grp, Argonne, IL 60439 USA. [Wang, J.; Feng, Y.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. RP Cai, H (reprint author), Argonne Natl Lab, Div Energy Syst, Syst Assessment Grp, Argonne, IL 60439 USA. EM hcai@anl.gov FU Bioenergy Technology Office (BETO) of the Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy [DE-AC02-06CH11357] FX This work was supported by the Bioenergy Technology Office (BETO) of the Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy, under contract DE-AC02-06CH11357. We are grateful to Alicia Lindauer, Kristen Johnson, and Zia Haq of BETO for their support and guidance. We thank our colleagues Christina Canter, Ed Frank, and Rao Kotamarthi of Argonne National Laboratory for helpful discussions during the study. We also thank helpful comments by Ivan Munoz and Steffen Mueller on an early draft report. The authors are solely responsible for the contents of this report. NR 51 TC 1 Z9 1 U1 11 U2 11 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 2016 VL 9 IS 9 BP 2855 EP 2867 DI 10.1039/c6ee01728b PG 13 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA DV2JI UT WOS:000382746300013 ER PT J AU Buchman, JT Gallagher, MJ Yang, CT Zhang, X Krause, MOP Hernandez, R Orr, G AF Buchman, Joseph T. Gallagher, Miranda J. Yang, Chi-Ta Zhang, Xi Krause, Miriam O. P. Hernandez, Rigoberto Orr, Galya TI Research highlights: examining the effect of shape on nanoparticle interactions with organisms SO ENVIRONMENTAL SCIENCE-NANO LA English DT Editorial Material AB There are many variables that influence the toxicity of nanoparticles to organisms, such as nanoparticle size, shape, core composition, and ligand chemistry, composition, and coverage. Assessing the unique effects elicited by each of these parameters has been challenging as they impact each other. It is therefore difficult to change one parameter while keeping all other parameters constant. Here, we highlight three articles in which investigators carefully controlled as many confounding factors as possible while assessing the impacts of nanoparticle shape on their interactions with organisms. One study revealed shape-dependent effects of silver nanoparticles on the annual ryegrass, Lolium multiflorum. Another study identified shape-dependent effects of lanthanide-doped NaYF4 nanoparticles on nanoparticle association with a model cell membrane and on the cellular uptake and toxicity in selected cell lines. Finally, we highlight a study that used a coarse grain computational approach to effectively keep other parameters constant while determining the effect of shape on nanoparticle endocytosis. C1 [Buchman, Joseph T.] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. [Gallagher, Miranda J.] Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA. [Yang, Chi-Ta] Univ Iowa, Dept Chem, Iowa City, IA 52242 USA. [Zhang, Xi] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Krause, Miriam O. P.] Univ Minnesota, Dept Chem, Ctr Sustainable Nanotechnol, Minneapolis, MN 55455 USA. [Hernandez, Rigoberto] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Orr, Galya] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Buchman, JT (reprint author), Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. EM jbuchman@umn.edu RI Hernandez, Rigoberto/A-8793-2008; OI Hernandez, Rigoberto/0000-0001-8526-7414; Buchman, Joseph/0000-0001-5827-8513 FU Center for Sustainable Nanotechnology - National Science Foundation [CHE-1503408] FX This highlight was initiated from the literature discussion of a biweekly student group meeting in the Center for Sustainable Nanotechnology. The Center for Sustainable Nanotechnology is supported by a grant awarded to Prof. Bob Hamers by the National Science Foundation under grant number CHE-1503408. NR 0 TC 1 Z9 1 U1 13 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2051-8153 EI 2051-8161 J9 ENVIRON SCI-NANO JI Environ.-Sci. Nano PY 2016 VL 3 IS 4 BP 696 EP 700 DI 10.1039/c6en90015a PG 5 WC Chemistry, Multidisciplinary; Environmental Sciences; Nanoscience & Nanotechnology SC Chemistry; Environmental Sciences & Ecology; Science & Technology - Other Topics GA DT4GT UT WOS:000381438900002 ER PT S AU Benk, MP Wojdyla, A Chao, WL Salmassi, F Oh, S Wang, YG Miyakawa, RH Naulleau, PP Goldberg, KA AF Benk, Markus P. Wojdyla, Antoine Chao, Weilun Salmassi, Farhad Oh, Sharon Wang, Yow-Gwo Miyakawa, Ryan H. Naulleau, Patrick P. Goldberg, Kenneth A. BE Panning, EM Goldberg, KA TI Emulation of anamorphic imaging on the SHARP EUV mask microscope SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VII CY FEB 22-25, 2016 CL San Jose, CA SP SPIE, Sokudo Co Ltd DE EUV; anamorphic; mask; microscope; zone plate; High-NA AB The SHARP High numerical aperture Actinic Reticle review Project is a synchrotron-based, extreme ultraviolet (EUV) microscope dedicated to photomask research. SHARP emulates the illumination and imaging conditions of current EUV lithography scanners and several generations into the future. An anamorphic imaging optic with increased mask side-NA in the horizontal and increased demagnification in the vertical direction has been proposed to overcome limitations of current multilayer coatings and extend EUV lithography beyond 0.33 NA.(1) Zoneplate lenses with an anamorphic 4x/8x NA of 0.55 are fabricated and installed in the SHARP microscope to emulate anamorphic imaging. SHARP's Fourier synthesis illuminator with a range of angles exceeding the collected solid angle of the newly designed elliptical zoneplates can produce arbitrary angular source spectra, matched to anamorphic imaging. A target with anamorphic dense features down to 50-nm critical dimension is fabricated using 40-nm of nickel as the absorber. In a demonstration experiment anamorphic imaging at 0.55 4x/8xNA and 6 degrees central ray angle is compared to conventional imaging at 0.5 4xNA and 8 degrees central ray angle. A significant contrast loss in horizontal features is observed in the conventional images. The anamorphic images show the same image quality in the horizontal and vertical directions. C1 [Benk, Markus P.; Wojdyla, Antoine; Chao, Weilun; Salmassi, Farhad; Oh, Sharon; Wang, Yow-Gwo; Miyakawa, Ryan H.; Naulleau, Patrick P.; Goldberg, Kenneth A.] Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Benk, MP (reprint author), Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mpbenk@lbl.gov NR 15 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 978-1-5106-0011-9 J9 PROC SPIE PY 2016 VL 9776 AR UNSP 97761J DI 10.1117/12.2219294 PG 10 WC Optics SC Optics GA BF5NN UT WOS:000382314800045 ER PT S AU Levinson, Z Burbine, A Verduijn, E Wood, O Mangat, P Goldberg, KA Benk, MP Wojdyla, A Smith, BW AF Levinson, Zac Burbine, Andrew Verduijn, Erik Wood, Obert Mangat, Pawitter Goldberg, Kenneth A. Benk, Markus P. Wojdyla, Antoine Smith, Bruce W. BE Panning, EM Goldberg, KA TI Image-Based Pupil Plane Characterization via Principal Component Analysis for EUVL Tools SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VII CY FEB 22-25, 2016 CL San Jose, CA SP SPIE, Sokudo Co Ltd DE EUV lithography; EUV aberrations; aberration metrology; image-based aberration metrology; pupil characterization; principal component analysis AB We present an approach to image-based pupil plane amplitude and phase characterization using models built with principal component analysis (PCA). PCA is a statistical technique to identify the directions of highest variation (principal components) in a high-dimensional dataset. A polynomial model is constructed between the principal components of through-focus intensity for the chosen binary mask targets and pupil amplitude or phase variation. This method separates model building and pupil characterization into two distinct steps, thus enabling rapid pupil characterization following data collection. The pupil plane variation of a zone-plate lens from the Semiconductor High-NA Actinic Reticle Rreview Project (SHARP) at Lawrence Berkeley National Laboratory will be examined using this method. Results will be compared to pupil plane characterization using a previously proposed methodology where inverse solutions are obtained through an iterative process involving least-squares regression. C1 [Levinson, Zac; Burbine, Andrew; Smith, Bruce W.] Rochester Inst Technol, 168 Lomb Mem Dr, Rochester, NY 14623 USA. [Verduijn, Erik; Wood, Obert; Mangat, Pawitter] GLOBALFOUNDRIES, 400 Stone Break Rd Extens, Malta, NY 12020 USA. [Goldberg, Kenneth A.; Benk, Markus P.; Wojdyla, Antoine] Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. RP Levinson, Z (reprint author), Rochester Inst Technol, 168 Lomb Mem Dr, Rochester, NY 14623 USA. NR 27 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 978-1-5106-0011-9 J9 PROC SPIE PY 2016 VL 9776 AR UNSP 977618 DI 10.1117/12.2219745 PG 11 WC Optics SC Optics GA BF5NN UT WOS:000382314800035 ER PT S AU Purvis, MA Schafgans, A Brown, DJW Fomenkov, I Rafac, R Brown, J Tao, YZ Rokitski, S Abraham, M Vargas, M Rich, S Taylor, T Brandt, D Pirati, A Fisher, A Scott, H Koniges, A Eder, D Wilks, S Link, A Langer, S AF Purvis, Michael A. Schafgans, Alexander Brown, Daniel J. W. Fomenkov, Igor Rafac, Rob Brown, Josh Tao, Yezheng Rokitski, Slava Abraham, Mathew Vargas, Mike Rich, Spencer Taylor, Ted Brandt, David Pirati, Alberto Fisher, Aaron Scott, Howard Koniges, Alice Eder, David Wilks, Scott Link, Anthony Langer, Steven BE Panning, EM Goldberg, KA TI Advancements in Predictive Plasma Formation Modeling SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VII CY FEB 22-25, 2016 CL San Jose, CA SP SPIE, Sokudo Co Ltd DE EUV source; EUV lithography; Laser Produced Plasma; EUV power scaling; Plasma Modeling AB We present highlights from plasma simulations performed in collaboration with Lawrence Livermore National Labs. This modeling is performed to advance the rate of learning about optimal EUV generation for laser produced plasmas and to provide insights where experimental results are not currently available. The goal is to identify key physical processes necessary for an accurate and predictive model capable of simulating a wide range of conditions. This modeling will help to drive source performance scaling in support of the EUV Lithography roadmap. The model simulates pre-pulse laser interaction with the tin droplet and follows the droplet expansion into the main pulse target zone. Next, the interaction of the expanded droplet with the main laser pulse is simulated. We demonstrate the predictive nature of the code and provide comparison with experimental results. C1 [Purvis, Michael A.; Schafgans, Alexander; Brown, Daniel J. W.; Fomenkov, Igor; Rafac, Rob; Brown, Josh; Tao, Yezheng; Rokitski, Slava; Abraham, Mathew; Vargas, Mike; Rich, Spencer; Taylor, Ted; Brandt, David] Cymer LLC, 17075 Thormint Ct, San Diego, CA 92127 USA. [Pirati, Alberto] ASML Netherlands BV, De Run 6501, NL-5504 DR Veldhoven, Netherlands. [Fisher, Aaron; Scott, Howard; Eder, David; Wilks, Scott; Link, Anthony; Langer, Steven] Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. [Koniges, Alice] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Purvis, MA (reprint author), Cymer LLC, 17075 Thormint Ct, San Diego, CA 92127 USA. NR 21 TC 1 Z9 1 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 978-1-5106-0011-9 J9 PROC SPIE PY 2016 VL 9776 AR UNSP 97760K DI 10.1117/12.2221991 PG 12 WC Optics SC Optics GA BF5NN UT WOS:000382314800018 ER PT S AU Wang, YG Neureuther, A Naulleau, P AF Wang, Yow-Gwo Neureuther, Andy Naulleau, Patrick BE Panning, EM Goldberg, KA TI Enhancing native defect sensitivity for EUV actinic blank inspection: optimized pupil engineering and photon noise study SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VII CY FEB 22-25, 2016 CL San Jose, CA SP SPIE, Sokudo Co Ltd DE EUV Actinic Mask Inspection; Native Defect; Zernike Phase Contrast Microscopy; Pupil Engineering; Optimum Phase Shift. Apodization; Photon Shot Noise AB In this paper, we discuss the impact of optimized pupil engineering and photon noise on native defect sensitivity in EUV actinic blank inspection. Native defects include phase-dominated defects, absorber defects, and defects with a combination of phase and absorption behavior. First, we extend the idea of the Zernike phase contrast (ZPC) method and study the impact of optimum phase shift in the pupil plane on native defect sensitivity, showing a 23% signal-to-noise ratio (SNR) enhancement compare to bright field (BF) for a phase defect with 20% absorption. We also describe the possibility to increase target defect SNR on target defect sizes at the price of losing the sensitivity on smaller (non-critical) defects. Moreover, we show the advantage of the optimized phase contrast (OZPC) method over BF EUV actinic blank inspection. A single focus scan from OZPC has better inspection efficiency over BF. Second, we make a detailed comparison between the phase contrast with apodization (AZPC) method and dark field (DF) method based on defect sensitivity in the presence of both photon shot noise and camera noise. Performance is compared for a variety of photon levels, mask roughness conditions, and combinations of defect phase and absorption. C1 [Wang, Yow-Gwo; Neureuther, Andy] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Wang, Yow-Gwo; Neureuther, Andy; Naulleau, Patrick] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Wang, YG (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.; Wang, YG (reprint author), Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. EM henrywyg@eecs.berkeley.edu NR 6 TC 1 Z9 1 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 978-1-5106-0011-9 J9 PROC SPIE PY 2016 VL 9776 AR UNSP 97761D DI 10.1117/12.2220277 PG 8 WC Optics SC Optics GA BF5NN UT WOS:000382314800039 ER PT S AU Wisehart, L Narasimhan, A Grzeskowiak, S Neisser, M Ocola, LE Denbeaux, G Brainard, RL AF Wisehart, Liam Narasimhan, Amrit Grzeskowiak, Steven Neisser, Mark Ocola, Leonidas E. Denbeaux, Greg Brainard, Robert L. BE Panning, EM Goldberg, KA TI Energy Deposition and Charging in EUV Lithography: Monte Carlo Studies SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VII CY FEB 22-25, 2016 CL San Jose, CA SP SPIE, Sokudo Co Ltd DE secondary electron; EUV lithography; Monte Carlo; photoresist; modeling ID ELECTRON-BEAM LITHOGRAPHY AB EUV photons expose photoresists by complex interactions including photoionization to create primary electrons (similar to 80 eV), and subsequent ionization steps that create secondary electrons (10-60 eV). The mechanisms by which these electrons interact with resist components are key to optimizing the performance of EUV resists and EUV lithography as a whole. As these photoelectrons and secondary electrons are created, they deposit their energy within the resist, creating ionized atoms along the way. Because many photo-and secondary electrons can escape the resist through the surface, resists can become charged. Charging and energy deposition profiles within the resist may play a role in the sensitivity and line-edge roughness of EUV resists. In this paper, we present computational analysis of charging-influenced electron behavior in photoresists using LESiS (Low energy Electron Scattering in Solids), a software developed to understand and model electron-matter interactions. We discuss the implementation of charge and tracking and the model used to influence electron behavior. We also present the potential effects of charging on EUV and electron beam lithography by investigating secondary electron blur in charging and non-charging models. C1 [Wisehart, Liam; Narasimhan, Amrit; Grzeskowiak, Steven; Denbeaux, Greg; Brainard, Robert L.] SUNY Polytech Inst, Coll Nanoscale Sci & Engn, 257 Fuller Rd, Albany, NY 12203 USA. [Neisser, Mark] SUNY Polytech Inst SEMATECH, 257 Fuller Rd, Albany, NY USA. [Ocola, Leonidas E.] Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA. RP Brainard, RL (reprint author), SUNY Polytech Inst, Coll Nanoscale Sci & Engn, 257 Fuller Rd, Albany, NY 12203 USA. EM rbainard@sunypoly.edu OI Ocola, Leonidas/0000-0003-4990-1064 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 978-1-5106-0011-9 J9 PROC SPIE PY 2016 VL 9776 AR UNSP 97762O DI 10.1117/12.2219849 PG 9 WC Optics SC Optics GA BF5NN UT WOS:000382314800074 ER PT S AU Wojdyla, A Donoghue, A Benk, MP Naulleau, PP Goldberg, KA AF Wojdyla, Antoine Donoghue, Alexander Benk, Markus P. Naulleau, Patrick P. Goldberg, Kenneth A. BE Panning, EM Goldberg, KA TI Aerial imaging study of the mask-induced line-width roughness of EUV lithography masks SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VII CY FEB 22-25, 2016 CL San Jose, CA SP SPIE, Sokudo Co Ltd DE EUV lithography; LER; LWR; actinic inspection; LCDU; X-Ray Microscopy; photon noise; partial coherence; power-spectral density; speckle; metrology; real-space imaging ID LINE-EDGE ROUGHNESS AB EUV lithography uses reflective photomasks to print features on a wafer through the formation of an aerial image. The aerial image is influenced by the mask's substrate and pattern roughness and by photon shot noise, which collectively affect the line-width on wafer prints, with an impact on local critical dimension uniformity (LCDU). We have used SHARP, an actinic mask-imaging microscope, to study line-width roughness (LWR) in aerial images at sub-nanometer resolution. We studied the impact of photon density and the illumination partial coherence on recorded images, and found that at low coherence settings, the line-width roughness is dominated by photon noise, while at high coherence setting, the effect of speckle becomes more prominent, dominating photon noise for exposure levels of 4 photons/nm(2) at threshold on the mask size. C1 [Wojdyla, Antoine; Donoghue, Alexander; Benk, Markus P.; Naulleau, Patrick P.; Goldberg, Kenneth A.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Wojdyla, A (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. NR 11 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 978-1-5106-0011-9 J9 PROC SPIE PY 2016 VL 9776 AR UNSP 97760H DI 10.1117/12.2219513 PG 9 WC Optics SC Optics GA BF5NN UT WOS:000382314800015 ER PT S AU Wood, O Wong, K Parks, V Kearney, P Meyer-Ilse, J Luong, V Philipsen, V Faheem, M Liang, YF Kumar, A Chen, E Bennett, C Fu, BZ Gribelyuk, M Zhao, W Mangat, P van der Heide, P AF Wood, Obert Wong, Keith Parks, Valentin Kearney, Patrick Meyer-Ilse, Julia Vu Luong Philipsen, Vicky Faheem, Mohammad Liang, Yifan Kumar, Ajay Chen, Esther Bennett, Corbin Fu, Bianzhu Gribelyuk, Michael Zhao, Wayne Mangat, Pawitter van der Heide, Paul BE Panning, EM Goldberg, KA TI Improved Ru/Si multilayer reflective coatings for advanced extreme ultraviolet lithography photomasks SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VII CY FEB 22-25, 2016 CL San Jose, CA SP SPIE, Sokudo Co Ltd DE EUV; EUV mask; mask stack; Ru/Si ML reflector; B4C interlayers; rigorous 3D lithography simulation AB Extreme ultraviolet (EUV) lithography with reflective photomasks continues to be a potential patterning technology for high volume manufacturing at the 7 nm technology node and beyond. EUV photomasks with alternative materials to the commonly used Mo/Si multilayer (ML) reflector and patterned Ta-based absorber (both of which are known to require shadow effect corrections and lead to large through-focus pattern placement errors) are being actively explored. Because the reflective bandwidth of a Ru/Si ML is significantly wider than the reflective bandwidth of a Mo/Si ML and the effective reflectance plane in Ru/Si is closer to the ML surface, Ru/Si ML coatings may be viable alternatives to the Mo/Si ML coatings that are commercially available today because they will lead to smaller mask 3D effects. In this paper, increases in the peak reflectivity and the reflective bandwidth of Ru/Si ML reflectors by using B4C interlayers to improve the Ru-Si interfaces are discussed. The conclusions of this paper are supported with the results of both experimental measurements and rigorous simulations. C1 [Wood, Obert; Wong, Keith; Parks, Valentin; Faheem, Mohammad; Liang, Yifan; Kumar, Ajay; Chen, Esther; Bennett, Corbin; Fu, Bianzhu; Gribelyuk, Michael; Zhao, Wayne; Mangat, Pawitter; van der Heide, Paul] GLOBALFOUNDRIES, 400 Stonebreak Rd Extens, Malta, NY 12020 USA. [Kearney, Patrick] SUNY Poly SEMATECH, 257 Fuller Rd, Albany, NY 12203 USA. [Meyer-Ilse, Julia] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Vu Luong; Philipsen, Vicky] IMEC, Kapeldreef 75, B-3001 Leuven, Belgium. RP Wood, O (reprint author), GLOBALFOUNDRIES, 400 Stonebreak Rd Extens, Malta, NY 12020 USA. EM obert.wood@globalfoundries.com NR 12 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 978-1-5106-0011-9 J9 PROC SPIE PY 2016 VL 9776 AR UNSP 977619 DI 10.1117/12.2219215 PG 10 WC Optics SC Optics GA BF5NN UT WOS:000382314800036 ER PT S AU Yin, L Wang, HC Reagan, B Baumgarten, C Shlyaptsev, V Gullikson, E Rocca, J AF Yin, Liang Wang, Hanchen Reagan, Brendan Baumgarten, Cory Shlyaptsev, Vyacheslav Gullikson, Eric Rocca, Jorge BE Panning, EM Goldberg, KA TI Study of Gd/Tb LPP emission near lambda=6.7nm for beyond EUV lithography SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Extreme Ultraviolet (EUV) Lithography VII CY FEB 22-25, 2016 CL San Jose, CA SP SPIE, Sokudo Co Ltd DE BEUV source; BEUV lithography; Laser produced plasma ID LASER; PLASMAS AB Plasmas emitting near lambda=6.7nm are of interest for beyond EUV lithography (BEUVL). We have conducted a comprehensive study of the spectral characteristics, conversion efficiency, and source size of Gd and Tb laser-produced plasmas over a broad range of laser pulsewidths (120ps-4ns) and irradiation intensities (1.4x10(11)-6.1x10(13)W/cm(2)). The data over the entire parameter range was acquired using a single diode-pumped Yb: YAG laser. The angular distribution of the BEUV emission was measured using an array of calibrated energy-monitors, allowing for an accurate estimate of the BEUV yield. A similar conversion efficiency of 0.47% into a 0.6% bandwidth in 2 pi solid angle was measured for both Gd and Tb plasma. C1 [Yin, Liang; Wang, Hanchen; Reagan, Brendan; Baumgarten, Cory; Shlyaptsev, Vyacheslav; Rocca, Jorge] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA. [Gullikson, Eric] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Yin, L (reprint author), Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA. NR 14 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 978-1-5106-0011-9 J9 PROC SPIE PY 2016 VL 9776 AR UNSP 97761M DI 10.1117/12.2219840 PG 7 WC Optics SC Optics GA BF5NN UT WOS:000382314800047 ER PT S AU Buric, M Yip, MJ Chorpening, B Ohodnicki, P AF Buric, Michael Yip, M. J. Chorpening, Ben Ohodnicki, Paul BE Udd, E Pickrell, G Du, HH TI Laser heated pedestal growth system commissioning and fiber processing SO FIBER OPTIC SENSORS AND APPLICATIONS XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications XIII CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE Laser-heated pedestal growth; sapphire optical fiber; harsh-environment sensors; fossil energy AB A new Laser Heated Pedestal Growth system was designed and fabricated using various aspects of effective legacy designs for the growth of single-crystal high-temperature-compatible optical fibers. The system is heated by a 100-watt, DC driven, CO2 laser with PID power control. Fiber diameter measurements are performed using a telecentric video system which identifies the molten zone and utilizes edge detection algorithms to report fiber-diameter. Beam shaping components include a beam telescope; along with gold-coated reflaxicon, turning, and parabolic focusing mirrors consistent with similar previous systems. The optical system permits melting of sapphire-feedstock up to 1.5mm in diameter for growth. Details regarding operational characteristics are reviewed and properties of single-crystal sapphire fibers produced by the system are evaluated. Aspects of the control algorithm efficacy will be discussed, along with relevant alternatives. Finally, some new techniques for in-situ processing making use of the laser-heating system are discussed. Ex-situ fiber modification and processing are also examined for improvements in fiber properties. C1 [Buric, Michael; Yip, M. J.; Chorpening, Ben; Ohodnicki, Paul] US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26505 USA. RP Buric, M (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26505 USA. NR 10 TC 0 Z9 0 U1 7 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 978-1-5106-0093-5 J9 PROC SPIE PY 2016 VL 9852 AR UNSP 985219 DI 10.1117/12.2224480 PG 9 WC Optics; Physics, Applied SC Optics; Physics GA BF5QU UT WOS:000382503300031 ER PT S AU Jones, BH Rohr, GD Kaczmarowski, AK AF Jones, Brad H. Rohr, Garth D. Kaczmarowski, Amy K. BE Udd, E Pickrell, G Du, HH TI Sensing delamination in epoxy encapsulant systems with fiber Bragg gratings SO FIBER OPTIC SENSORS AND APPLICATIONS XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications XIII CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE fiber Bragg grating; delamination; interface; epoxy; ceramic; embedded sensing; strain distribution; chirped ID STRAIN PROFILE RECONSTRUCTION; EMBEDDED FBG SENSORS; GENETIC ALGORITHM; OPTICAL-FIBER; QUANTITATIVE-EVALUATION; REFLECTION SPECTRUM; INTENSITY SPECTRA; TRANSVERSE CRACKS; DAMAGE DETECTION; COMPOSITES AB Fiber Bragg gratings (FBGs) are well-suited for embedded sensing of interfacial phenomena in materials systems, due to the sensitivity of their spectral response to locally non-uniform strain fields. Over the last 15 years, FBGs have been successfully employed to sense delamination at interfaces, with a clear emphasis on planar events induced by transverse cracks in fiber-reinforced plastic laminates. We have built upon this work by utilizing FBGs to detect circular delamination events at the interface between epoxy films and alumina substrates. Two different delamination processes are examined, based on stress relief induced by indentation of the epoxy film or by cooling to low temperature. We have characterized the spectral response pre-and post-delamination for both simple and chirped FBGs as a function of delamination size. We show that delamination is readily detected by the evolution of a non-uniform strain distribution along the fiber axis that persists after the stressing condition is removed. These residual strain distributions differ substantially between the delamination processes, with indentation and cooling producing predominantly tensile and compressive strain, respectively, that are well-captured by Gaussian profiles. More importantly, we observe a strong correlation between spectrally-derived measurements, such as spectral widths, and delamination size. Our results further highlight the unique capabilities of FBGs as diagnostic tools for sensing delamination in materials systems. C1 [Jones, Brad H.; Rohr, Garth D.; Kaczmarowski, Amy K.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Jones, BH (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 41 TC 0 Z9 0 U1 3 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 978-1-5106-0093-5 J9 PROC SPIE PY 2016 VL 9852 AR UNSP 98520G DI 10.1117/12.2220297 PG 11 WC Optics; Physics, Applied SC Optics; Physics GA BF5QU UT WOS:000382503300013 ER PT S AU Udd, E Udd, I Benterou, JJ Rodriguez, G AF Udd, Eric Udd, Ingrid Benterou, Jerry J. Rodriguez, George BE Udd, E Pickrell, G Du, HH TI Ultrafast fiber grating sensor systems for velocity, position, pressure and temperature measurements SO FIBER OPTIC SENSORS AND APPLICATIONS XIII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications XIII CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE fiber grating; velocity; position; temperature; pressure; energetic material; high speed AB In 2006 an approach was developed that used chirped fiber gratings in combination with a high speed read out configuration to measure the velocity and position of shock waves after detonation of energetic materials. The first demonstrations were conducted in 2007. Extensions of this technology were made to measure pressure and temperature as well as velocity and position during burn, deflagration and detonation. This paper reviews a series of improvements that have been made by Columbia Gorge Research, LLC, Lawrence Livermore National Lab and Los Alamos National Lab in developing and improving this technology. C1 [Udd, Eric; Udd, Ingrid] Columbia Gorge Res LLC, Fairview, OR 97024 USA. [Benterou, Jerry J.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Rodriguez, George] Los Alamos Natl Lab, Los Alamos, NM USA. RP Udd, E (reprint author), Columbia Gorge Res LLC, Fairview, OR 97024 USA. RI Rodriguez, George/G-7571-2012 OI Rodriguez, George/0000-0002-6044-9462 NR 15 TC 1 Z9 1 U1 3 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 978-1-5106-0093-5 J9 PROC SPIE PY 2016 VL 9852 AR UNSP 98520Q DI 10.1117/12.2228309 PG 14 WC Optics; Physics, Applied SC Optics; Physics GA BF5QU UT WOS:000382503300020 ER PT J AU Rovere, SL North, MJ Podesta, GP Bert, FE AF Rovere, Santiago L. North, Michael J. Podesta, Guillermo P. Bert, Federico E. TI Practical Points for the Software Development of an Agent-Based Model of a Coupled Human-Natural System SO IEEE ACCESS LA English DT Article DE Complex adaptive systems; agent-based modeling; coupled human and natural systems; model design and implementation; software engineering ID LAND-USE CHANGE; SENSITIVITY-ANALYSIS; AGRICULTURAL SYSTEMS; ASPIRATION-LEVEL; ARGENTINE PAMPAS; SIMULATION; MANAGEMENT; ECONOMICS; METRICS; MARKET AB Modeling complex natural and human systems to support policy or management decision making is becoming increasingly common. The resulting models are often designed and implemented by researchers or domain experts with limited software engineering expertise. To help this important audience, we present our experience and share lessons learned from the design and implementation of an agent-based model of agricultural production systems in the Argentine Pampas, emphasizing the software engineering perspective. We discuss the model's design including the model classes; the activity diagram, and data flow; the package and folder layout; the use of design patterns; performance optimization; initialization approaches; the analysis of results; and model measurement, validation, and verification. C1 [Rovere, Santiago L.] Univ Buenos Aires, Grp Aplicac Modelos Agentes, Sch Engn, Buenos Aires C1127AAR, RA-1053 Buenos Aires, DF, Argentina. [North, Michael J.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [North, Michael J.] Univ Chicago & Argonne, Computat Inst, Chicago, IL 60637 USA. [Podesta, Guillermo P.] Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, 4600 Rickenbacker Causeway, Miami, FL 33149 USA. [Bert, Federico E.] Asociac Argentina Consorcios Reg Expt Agr, Buenos Aires C1041AAZ, Buenos Aires, DF, Argentina. [Bert, Federico E.] Univ Buenos Aires, CONICET, Sch Agron, Buenos Aires C1127AAR, RA-1053 Buenos Aires, DF, Argentina. RP Rovere, SL (reprint author), Univ Buenos Aires, Grp Aplicac Modelos Agentes, Sch Engn, Buenos Aires C1127AAR, RA-1053 Buenos Aires, DF, Argentina. EM srovere@gmail.com OI Podesta, Guillermo/0000-0002-4909-0567 FU Inter-American Institute for Global Change Research (IAI) [CRN-2031]; U.S. National Science Foundation (NSF) [0709681, 1211613, 1049109]; NSF through IAI [GEO-0452325]; Consejo Nacional de Investigaciones Cientificas y Tecnicas of Argentina; Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory through The University of Chicago [W-31-109-Eng-38] FX This work was supported in part by the Inter-American Institute for Global Change Research (IAI) under Grant CRN-2031 (Addendum), in part by the U.S. National Science Foundation (NSF) under Grant 0709681, Grant 1211613, and Grant 1049109, in part by NSF through IAI under Grant GEO-0452325. The work of F. E. Bert is supported in part by the Consejo Nacional de Investigaciones Cientificas y Tecnicas of Argentina and in part by the Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory through The University of Chicago under Contract W-31-109-Eng-38. NR 80 TC 0 Z9 0 U1 3 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2169-3536 J9 IEEE ACCESS JI IEEE Access PY 2016 VL 4 BP 4282 EP 4298 DI 10.1109/ACCESS.2016.2592418 PG 17 WC Computer Science, Information Systems; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA DV2UM UT WOS:000382777400030 ER PT J AU Wen, XY Dubinsky, E Wu, Y Yu, R Chen, F AF Wen Xin-ya Dubinsky, Eric Wu Yao Yu Rong Chen Fu TI Wheat, maize and sunflower cropping systems selectively influence bacteria community structure and diversity in their and succeeding crop's rhizosphere SO JOURNAL OF INTEGRATIVE AGRICULTURE LA English DT Article DE bacterial community structure and diversity; rhizosphere; cropping system; 454 pyrosequencing ID SOIL MICROBIAL COMMUNITIES; 16S RIBOSOMAL-RNA; PHENOTYPIC DIVERSITY; FATTY-ACIDS; PLANTS; FIELD; POPULATIONS; DISEASE; ROOTS; RHIZOBACTERIA AB Wheat and maize are increasingly used as alternative crops to sunflower monocultures that dominate the Hetao Irrigation District in China. Shifts from sunflower monocultures to alternate cropping systems may have significant effects on below ground microbial communities which control nutrient cycling and influence plant productivity. In this research, rhizosphere bacterial communities were compared among sunflower, wheat and maize cropping systems by 454 pyrosequencing. These cropping systems included 2 years wheat (cultivar Yongliang 4) and maize (cultivar Sidan 19) monoculture, more than 20 years sunflower (cultivar 5009) monoculture, and wheat-sunflower and maize-sunflower rotation. In addition, we investigated rhizosphere bacterial communities of healthy and diseased plants at maturity to determine the relationship between plant health and rotation effect. The results revealed taxonomic information about the overall bacterial community. And significant differences in bacterial community structure were detected among these cropping systems. Eight of the most abundant groups including Proteobacteria, Bacteroidetes, Acidobacteria, Gemmatimonadetes, Chloroflexi, Actinobacteria, Planctomycetes and Firmicutes accounted for more than 85% of the sequences in each treatment. The wheat-wheat rhizosphere had the highest proportion of Acidobacteria, Bacteroidetes and the lowest proportion of unclassified bacteria. Wheat-sunflower cropping system showed more abundantAcidobacteria than maize-sunflower and sunflower monoculture, exhibiting some influences of wheat on the succeeding crop. Maize-maize rhizosphere had the highest proportion of gamma-Proteobacteria, Pseudomonadales and the lowest proportion of Acidobacteria. Sunflower rotation with wheat and maize could increase the relative abundance of the Acidobacteria while decrease the relative abundance of the unclassified phyla, as was similar with the health plants. This suggests some positive impacts of rotation with wheat and maize on the bacterial communities within a single field. These results demonstrate that different crop rotation systems can have significant effects on rhizosphere microbiomes that potentially alter plant productivities in agricultural systems. C1 [Wen Xin-ya; Wu Yao; Chen Fu] China Agr Univ, Coll Agr & Biotechnol, Beijing 100193, Peoples R China. [Wen Xin-ya; Wu Yao; Chen Fu] Minist Agr, Key Lab Farming Syst, Beijing 100193, Peoples R China. [Dubinsky, Eric] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Yu Rong] Minist Agr, Inst Control Agrochem, Beijing 100125, Peoples R China. RP Chen, F (reprint author), China Agr Univ, Coll Agr & Biotechnol, Beijing 100193, Peoples R China.; Chen, F (reprint author), Minist Agr, Key Lab Farming Syst, Beijing 100193, Peoples R China. EM wxya@cau.edu.cn; chenfu@cau.edu.cn RI Dubinsky, Eric/D-3787-2015 OI Dubinsky, Eric/0000-0002-9420-6661 FU Special Fund for Agro-scientific Research in the Public Interest in China [201103001] FX This work was supported by the Special Fund for Agro-scientific Research in the Public Interest in China (201103001). NR 54 TC 0 Z9 0 U1 5 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 2095-3119 J9 J INTEGR AGR JI J. Integr. Agric. PY 2016 VL 15 IS 8 BP 1892 EP 1902 DI 10.1016/S2095-3119(15)61147-9 PG 11 WC Agriculture, Multidisciplinary SC Agriculture GA DT5RG UT WOS:000381539700022 ER PT J AU Nallathamby, PD Hopf, J Irimata, LE McGinnity, TL Roeder, RK AF Nallathamby, Prakash D. Hopf, Juliane Irimata, Lisa E. McGinnity, Tracie L. Roeder, Ryan K. TI Preparation of fluorescent Au-SiO2 core-shell nanoparticles and nanorods with tunable silica shell thickness and surface modification for immunotargeting SO JOURNAL OF MATERIALS CHEMISTRY B LA English DT Article ID ENHANCED RAMAN-SCATTERING; IRON-OXIDE NANOPARTICLES; GOLD NANOPARTICLES; MESOPOROUS SILICA; PHOTOTHERMAL THERAPY; DRUG-DELIVERY; QUANTUM DOTS; PARTICLES; CATALYSTS; TOXICITY AB Gold-silica (Au-SiO2) core-shell nanoparticles (NPs) enable multifunctional properties for in vivo biomedical applications. However, scalable synthesis methods are lacking for the preparation of Au-SiO2 core-shell NPs less than 30 nm in overall diameter with a tunable silica shell less than 10 nm in thickness. Therefore, we prepared monodispersed Au-SiO2 core-shell NPs less than 30 nm in overall diameter with a uniform, tunable silica shell similar to 1 to 14 nm in thickness using either citrate reduction followed by a modified Stober method or oleylamine reduction followed by a reverse microemulsion method. Oleylamine reduction enabled up to 80-fold greater concentration yield compared to the citrate reduction method currently used for synthesizing Au core NPs. The formation of a tunable silica shell less than 10 nm in thickness was facilitated by controlling the molecular weight of the priming polymer (modified Stober) or surfactant (reverse microemulsion) in addition to the concentration of the silane precursor, and was robust for encapsulating non-spherical morphologies such as Au nanorods. The reverse microemulsion method enabled several distinct advantages over the modified Stober method, including greater control over the silica shell thickness, similar to 16-fold greater yield in core-shell NP concentrations for scalable synthesis, and the ability to encapsulate controlled concentrations of a molecular payload (e.g., fluorophores with four different emission profiles) in the silica shell. Au-SiO2 core-shell NPs were also bioconjugated with immunoglobulin-G (IgG) as a model antibody to demonstrate immunotargeting. Bioactivity of Au-SiO2-IgG core-shell NPs was confirmed by agglomeration in the presence of protein A. The presence and proper orientation of IgG on NP surfaces was verified by direct observation in electron microscopy after negative staining. Therefore, the methods in this study for preparing and modifying Au-SiO2 core-shell NPs provide a platform for engineering core-shell NPs with size-dependent functional properties for multispectral/multimodal imaging, drug delivery, and combined theranostics. C1 [Nallathamby, Prakash D.; Irimata, Lisa E.; McGinnity, Tracie L.; Roeder, Ryan K.] Univ Notre Dame, Dept Aerosp & Mech Engn, Bioengn Grad Program, 145 Multidisciplinary Res Bldg, Notre Dame, IN 46556 USA. [Hopf, Juliane] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37830 USA. RP Nallathamby, PD (reprint author), Univ Notre Dame, Dept Aerosp & Mech Engn, Bioengn Grad Program, 145 Multidisciplinary Res Bldg, Notre Dame, IN 46556 USA. EM pnallath@nd.edu RI Roeder, Ryan/A-9398-2008 OI Roeder, Ryan/0000-0003-1576-6570 FU National Science Foundation (NSF) [DMR-1309587]; Walther Cancer Foundation; Defense Advanced Research Projects Agency [DARPA-14-56-A2P-PA-055] FX This work was supported by grants from the National Science Foundation (NSF DMR-1309587), Walther Cancer Foundation (Advanced Basic Cancer Research Grant), and Defense Advanced Research Projects Agency (DARPA-14-56-A2P-PA-055). The authors acknowledge the Notre Dame Integrated Imaging Facility (NDIIF) for the use of the TEM and Center for Environmental Science and Technology (CEST) for the use of ICP-OES. NR 61 TC 1 Z9 1 U1 28 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2050-750X EI 2050-7518 J9 J MATER CHEM B JI J. Mat. Chem. B PY 2016 VL 4 IS 32 BP 5418 EP 5428 DI 10.1039/c6tb01659f PG 11 WC Materials Science, Biomaterials SC Materials Science GA DU3MP UT WOS:000382115500010 ER PT J AU Segal-Peretz, T Zhou, C Ren, JX Dazai, T Ocola, LE Divan, RNS Nealey, PF AF Segal-Peretz, Tamar Zhou, Chun Ren, Jiaxing Dazai, Takahiro Ocola, Leonidas E. Divan, Ralu N. S. Nealey, Paul F. TI Three Dimensional Assembly in Directed Self-assembly of Block Copolymers SO JOURNAL OF PHOTOPOLYMER SCIENCE AND TECHNOLOGY LA English DT Article DE Directed self-assembly; block copolymer; lithography; contact hole; transmission electron microscopy; metrology ID LITHOGRAPHY; TOMOGRAPHY; PATTERNS; FILMS AB The three-dimensional assembly of poly (styrene-b-methyl methacrylate) (PS-b-PMMA) in chemoepitaxy and graphoepitaxy directed self-assembly (DSA) was investigated using scanning transmission electron microscopy (STEM) tomography. The tomographic characterization revealed hidden morphologies and defects at the BCP- chemical pattern interface in lamellar DSA, and probed the formation of cylinders at the bottom of cylindrical DSA for contact hole shrink. Future work will include control over 3D assembly in sub-10 nm processes. C1 [Segal-Peretz, Tamar; Zhou, Chun; Ren, Jiaxing; Nealey, Paul F.] Univ Chicago, Inst Mol Engn, 5747 South Ellis Ave, Chicago, IL 60637 USA. [Segal-Peretz, Tamar; Nealey, Paul F.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Dazai, Takahiro] Tokyo Ohka Kogyo Co Ltd, 1590 Tabata, Samukawa, Kanagawa 2530114, Japan. [Ocola, Leonidas E.; Divan, Ralu N. S.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Segal-Peretz, T (reprint author), Univ Chicago, Inst Mol Engn, 5747 South Ellis Ave, Chicago, IL 60637 USA.; Segal-Peretz, T (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. OI Ocola, Leonidas/0000-0003-4990-1064 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, at the Materials Science Division, in Argonne National Laboratory [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, at the Center for Nanoscale Materials, in Argonne National Laboratory [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, at the Materials Science Division and at the Center for Nanoscale Materials, in Argonne National Laboratory under Contract No. DE-AC02-06CH11357. We gratefully acknowledge the University of Chicago-Searle Cleanroom for nanofabrication services. NR 21 TC 0 Z9 0 U1 9 U2 10 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 2016 VL 29 IS 5 BP 653 EP 657 PG 5 WC Polymer Science SC Polymer Science GA DT0IR UT WOS:000381167700002 ER PT J AU Nguyen, MA Srijanto, B Collier, CP Retterer, ST Sarles, SA AF Nguyen, Mary-Anne Srijanto, Bernadeta Collier, C. Patrick Retterer, Scott T. Sarles, Stephen A. TI Hydrodynamic trapping for rapid assembly and in situ electrical characterization of droplet interface bilayer arrays SO LAB ON A CHIP LA English DT Article ID LIPID-BILAYERS; MEMBRANES; MICROARRAY; PERMEABILITY; CAPACITANCE; MONOLAYERS; TRANSPORT; CHANNELS AB The droplet interface bilayer (DIB) is a modular technique for assembling planar lipid membranes between water droplets in oil. The DIB method thus provides a unique capability for developing digital, droplet-based membrane platforms for rapid membrane characterization, drug screening and ion channel recordings. This paper demonstrates a new, low-volume microfluidic system that automates droplet generation, sorting, and sequential trapping in designated locations to enable the rapid assembly of arrays of DIBs. The channel layout of the device is guided by an equivalent circuit model, which predicts that a serial arrangement of hydrodynamic DIB traps enables sequential droplet placement and minimizes the hydrodynamic pressure developed across filled traps to prevent squeeze-through of trapped droplets. Furthermore, the incorporation of thin-film electrodes fabricated via evaporation metal deposition onto the glass substrate beneath the channels allows for the first time in situ, simultaneous electrical interrogation of multiple DIBs within a sealed device. Combining electrical measurements with imaging enables measurements of membrane capacitance and resistance and bilayer area, and our data show that DIBs formed in different trap locations within the device exhibit similar sizes and transport properties. Simultaneous, single channel recordings of ion channel gating in multiple membranes are obtained when alamethicin peptides are incorporated into the captured droplets, qualifying the thin-film electrodes as a means for measuring stimuli-responsive functions of membrane-bound biomolecules. This novel microfluidic-electrophysiology platform provides a reproducible, high throughput method for performing electrical measurements to study transmembrane proteins and biomembranes in low-volume, droplet-based membranes. C1 [Nguyen, Mary-Anne; Sarles, Stephen A.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. [Srijanto, Bernadeta; Collier, C. Patrick] Oak Ridge Natl Lab, Ctr Nanophase Materials Sci, Oak Ridge, TN USA. [Retterer, Scott T.] UT Battelle LLC, Biosci, Oak Ridge, TN USA. [Retterer, Scott T.] Ctr Nanophase Mat Sci, Oak Ridge, TN USA. RP Sarles, SA (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. EM ssarles@utk.edu RI Srijanto, Bernadeta/D-4213-2016 OI Srijanto, Bernadeta/0000-0002-1188-1267 FU Air Force Office of Scientific Research Basic Research Initiative [FA9550-12-1-0464] FX The authors would like to acknowledge funding from the Air Force Office of Scientific Research Basic Research Initiative Grant number FA9550-12-1-0464. Device fabrication was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. Also, the authors would like to acknowledge Dale Hensley for assistance with microfabrication and Dr. Yoke Tanaka at Tecella, LLC for assistance in configuring the Triton amplifier for multi-channel measurements. NR 61 TC 2 Z9 2 U1 11 U2 11 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 2016 VL 16 IS 18 BP 3576 EP 3588 DI 10.1039/c6lc00810k PG 13 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA DV1LW UT WOS:000382683600019 PM 27513561 ER PT J AU Strelcov, E Yang, SM Jesse, S Balke, N Vasudevan, RK Kalinin, SV AF Strelcov, Evgheni Yang, Sang Mo Jesse, Stephen Balke, Nina Vasudevan, Rama K. Kalinin, Sergei V. TI Solid-state electrochemistry on the nanometer and atomic scales: the scanning probe microscopy approach SO NANOSCALE LA English DT Article ID RESISTIVE SWITCHING MEMORIES; TRANSMISSION ELECTRON-MICROSCOPY; RAY PHOTOELECTRON-SPECTROSCOPY; DIFFUSION-LIMITED AGGREGATION; METAL-INSULATOR-TRANSITION; POLYMER SOLAR-CELLS; LI ION BATTERIES; IN-SITU; FORCE MICROSCOPY; THIN-FILMS AB Energy technologies of the 21st century require an understanding and precise control over ion transport and electrochemistry at all length scales - from single atoms to macroscopic devices. This short review provides a summary of recent studies dedicated to methods of advanced scanning probe microscopy for probing electrochemical transformations in solids at the meso-, nano- and atomic scales. The discussion presents the advantages and limitations of several techniques and a wealth of examples highlighting peculiarities of nanoscale electrochemistry. C1 [Strelcov, Evgheni] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA. [Strelcov, Evgheni] Univ Maryland, Maryland Nanoctr, College Pk, MD 20742 USA. [Yang, Sang Mo; Jesse, Stephen; Balke, Nina; Vasudevan, Rama K.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Yang, Sang Mo; Jesse, Stephen; Balke, Nina; Vasudevan, Rama K.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA.; Kalinin, SV (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Balke, Nina/Q-2505-2015 OI Balke, Nina/0000-0001-5865-5892 FU U.S. Department of Energy, Office of Science, Office of Basic Sciences, Materials Sciences and Engineering Division; Center for Nanophase Materials Sciences, DOE Office of Science User Facility; University of Maryland; National Institute of Standards and Technology Center for Nanoscale Science and Technology through the University of Maryland [70NANB10H193] FX This research was in part sponsored by the U.S. Department of Energy, Office of Science, Office of Basic Sciences, Materials Sciences and Engineering Division (RKV, SVK). Research was supported (SMY, SJ) by and conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. ES acknowledges support under the Cooperative Research Agreement between the University of Maryland and the National Institute of Standards and Technology Center for Nanoscale Science and Technology, Award 70NANB10H193, through the University of Maryland. NR 173 TC 0 Z9 0 U1 26 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2040-3364 EI 2040-3372 J9 NANOSCALE JI Nanoscale PY 2016 VL 8 IS 29 BP 13838 EP 13858 DI 10.1039/c6nr01524g PG 21 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DT9JJ UT WOS:000381815000003 PM 27146961 ER PT J AU Mishra, N Mukherjee, B Xing, G Chakrabortty, S Guchhait, A Lim, JY AF Mishra, N. Mukherjee, B. Xing, G. Chakrabortty, S. Guchhait, A. Lim, J. Y. TI Cation exchange synthesis of uniform PbSe/PbS core/shell tetra-pods and their use as near-infrared photodetectors SO NANOSCALE LA English DT Article ID QUANTUM-DOT PHOTODETECTORS; SEEDED GROWTH; NANOCRYSTAL HETEROSTRUCTURES; CDSE/CDS TETRAPODS; HIGH-PERFORMANCE; COLLOIDAL PBSE; SOLAR-CELLS; NANORODS; GRAPHENE; NANOTETRAPODS AB In this work we explore the preparation of complex-shaped semiconductor nanostructures composed of different materials via a cationic exchange process in which the cations of the original semiconductor nanostructure are replaced by cations of different metals with preservation of the shape and the anionic framework of the nanocrystals. Utilizing this cation exchange method, we synthesized two new tetrapods for the first time: Cu2-xSe/Cu2-xS and PbSe/PbS, both prepared from CdSe/CdS tetrapods as 'templates'. We also fabricated near-infrared (NIR) photodetectors with a very simple architecture comprising a PbSe/PbS tetrapod layer between two Au electrodes on a glass substrate. When illuminated by a NIR laser, these devices are capable of achieving a responsivity of 11.9 A W-1 without the use of ligand-exchange processes, thermal annealing or hybrid device architecture. Transient absorption spectroscopy was carried out on these PbSe/PbS tetrapods, the results of which suggest that the branched morphology contributes in part to device performance. Investigation of the charge dynamics of the PbSe/PbS tetrapods revealed an extremely long-lived exciton recombination lifetime of similar to 17 ms, which can result in enhanced photoconductive gain. Overall, these heterostructured tetrapods showcase simultaneously the importance of nanoparticle shape, band structure, and surface chemistry in the attainment of NIR photodetection. C1 [Mishra, N.; Chakrabortty, S.; Guchhait, A.; Lim, J. Y.] Natl Univ Singapore, Dept Chem, 3 Sci Dr 3, Singapore 117543, Singapore. [Mukherjee, B.] Natl Univ Singapore, Dept Phys, 2 Sci Dr 3, Singapore 117542, Singapore. [Xing, G.] Nanjing Tech Univ, Jiangsu Natl Synerget Innovat Ctr Adv Mat SICAM, Key Lab Flexible Elect KLOFE, Nanjing Tech, 30 South Puzhu Rd, Nanjing 211816, Jiangsu, Peoples R China. [Xing, G.] Nanjing Tech Univ, Jiangsu Natl Synerget Innovat Ctr Adv Mat SICAM, IAM, Nanjing Tech, 30 South Puzhu Rd, Nanjing 211816, Jiangsu, Peoples R China. [Mishra, N.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Mishra, N (reprint author), Natl Univ Singapore, Dept Chem, 3 Sci Dr 3, Singapore 117543, Singapore.; Mishra, N (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. EM Nimai@lanl.gov OI Mukherjee, Bablu/0000-0002-5625-5948 FU JSPS-NUS [WBS R143-000-611-133]; National Basic Research Program of China-Fundamental Studies of Perovskite Solar Cells [2015CB932200] FX We gratefully acknowledge funding support from JSPS-NUS Joint Research Projects WBS R143-000-611-133 and financial support by the National Basic Research Program of China-Fundamental Studies of Perovskite Solar Cells (2015CB932200). We would like to thank Peter Schulze & Dr Kiran Kumar Manga for fruitful discussion. NR 64 TC 1 Z9 1 U1 19 U2 24 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 2016 VL 8 IS 29 BP 14203 EP 14212 DI 10.1039/c6nr02579j PG 10 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DT9JJ UT WOS:000381815000045 PM 27387963 ER PT J AU Collins, AM Timlin, JA Anthony, SM Montano, GA AF Collins, A. M. Timlin, J. A. Anthony, S. M. Montano, G. A. TI Amphiphilic block copolymers as flexible membrane materials generating structural and functional mimics of green bacterial antenna complexes SO NANOSCALE LA English DT Article ID MULTIVARIATE CURVE RESOLUTION; BACTERIOCHLOROPHYLL-C; PIGMENT LOCALIZATION; CHLOROSOMES; ORGANIZATION; POLYMERSOMES; ASSEMBLIES; MICELLES AB We describe the ability of a short-chain amphiphilic block copolymer to self-assemble to form an artificial supramolecular light-harvesting system. Specifically, we demonstrate that the 2.5 kDa, poly(ethylene oxide)-block-poly(butadiene) (PEO-b-PBD), exhibits sufficient morphological flexibility as a membrane material and enables generation of mimics of three-dimensional chlorosomes as well as supported membrane bilayers containing energy acceptors. This overall architecture replicates green bacterial light-harvesting function whereby these assemblies exhibit long-range order and three-dimensional morphology similar to native chlorosomes and are capable of energy transfer internally and to external acceptors, located in a supporting biomimetic polymer membrane. Unlike native green bacterial systems that use multiple lipids as a matrix to generate the appropriate environment for chlorosome assembly and function, the described system matrix is comprised entirely of a single polymer amphiphile. This work demonstrates the potential of short-chain amphiphilic block copolymers in generating self-assembled, biomimetic membrane architectures, and in doing so, generates scalable, spatial-energetic landscapes for photonic applications. Finally, the results presented provide evidence of minimal requirements to induce chlorosome-like organization and function. C1 [Collins, A. M.; Montano, G. A.] Los Alamos Natl Labs, Ctr Integrated Nanotechnol, Los Alamos, NM USA. [Timlin, J. A.; Anthony, S. M.] Sandia Natl Labs, Bioenergy & Def Technol, POB 5800, Albuquerque, NM 87185 USA. RP Montano, GA (reprint author), Los Alamos Natl Labs, Ctr Integrated Nanotechnol, Los Alamos, NM USA. EM gbmon@lanl.gov OI Timlin, Jerilyn/0000-0003-2953-1721 FU Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory [20130796PRD2]; Center for Integrated Nanotechnologies, an Office of Science User Facility; U.S. Department of Energy [DE-AC52-06NA25396]; Photosynthetic Antenna Research Center (PARC), an Energy Frontier Research Center - the U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0001035]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Experimental work by A. M. C. on the synthesis and characterization of PCNs was supported by the Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory (project number 20130796PRD2). AFM work by G. A. M. was supported by 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. HCFM and image analysis work by J. A. T. and S. M. A. was supported by the Photosynthetic Antenna Research Center (PARC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0001035. 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 0 Z9 0 U1 7 U2 10 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 2016 VL 8 IS 32 BP 15056 EP 15063 DI 10.1039/c6nr02497a PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DT3XT UT WOS:000381415200019 PM 27481550 ER PT J AU Wang, L Han, J Sundahl, B Thornton, S Zhu, YQ Zhou, RP Jaye, C Liu, HQ Li, ZQ Taylor, GT Fischer, DA Appenzeller, J Harrison, RJ Wong, SS AF Wang, Lei Han, Jinkyu Sundahl, Bryan Thornton, Scott Zhu, Yuqi Zhou, Ruiping Jaye, Cherno Liu, Haiqing Li, Zhuo-Qun Taylor, Gordon T. Fischer, Daniel A. Appenzeller, Joerg Harrison, Robert J. Wong, Stanislaus S. TI Ligand-induced dependence of charge transfer in nanotube-quantum dot heterostructures SO NANOSCALE LA English DT Article ID WALL CARBON NANOTUBES; X-RAY-ABSORPTION; SEMICONDUCTOR NANOCRYSTALS; ELECTRONIC-STRUCTURE; CDSE NANOCRYSTALS; SOLAR-CELLS; SPECTROSCOPY; NEXAFS; HYBRID; PHOTOLUMINESCENCE AB As a model system to probe ligand-dependent charge transfer in complex composite heterostructures, we fabricated double-walled carbon nanotube (DWNT)-CdSe quantum dot (QD) composites. Whereas the average diameter of the QDs probed was kept fixed at similar to 4.1 nm and the nanotubes analyzed were similarly oxidatively processed, by contrast, the ligands used to mediate the covalent attachment between the QDs and DWNTs were systematically varied to include p-phenylenediamine (PPD), 2-aminoethane-thiol (AET), and 4-aminothiophenol (ATP). Herein, we have put forth a unique compilation of complementary data from experiment and theory, including results from transmission electron microscopy (TEM), near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, Raman spectroscopy, electrical transport measurements, and theoretical modeling studies, in order to fundamentally assess the nature of the charge transfer between CdSe QDs and DWNTs, as a function of the structure of various, intervening bridging ligand molecules. Specifically, we correlated evidence of charge transfer as manifested by changes and shifts associated with NEXAFS intensities, Raman peak positions, and threshold voltages both before and after CdSe QD deposition onto the underlying DWNT surface. Importantly, for the first time ever in these types of nanoscale composite systems, we have sought to use theoretical modeling to justify and account for our experimental results. Our overall data suggest that (i) QD coverage density on the DWNTs varies, based upon the different ligand pendant groups used and that (ii) the presence of a pi-conjugated carbon framework within the ligands themselves coupled with the electron affinity of their pendant groups collectively play important roles in the resulting charge transfer from QDs to the underlying CNTs. C1 [Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Han, Jinkyu; Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Div, Bldg 180, Upton, NY 11973 USA. [Sundahl, Bryan; Thornton, Scott; Harrison, Robert J.] SUNY Stony Brook, Inst Adv Computat Sci, Stony Brook, NY 11794 USA. [Zhu, Yuqi; Zhou, Ruiping; Appenzeller, Joerg] Purdue Univ, Dept Elect & Comp Engn, W Lafayette, IN 47907 USA. [Zhu, Yuqi; Zhou, Ruiping; Appenzeller, Joerg] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. [Jaye, Cherno; Fischer, Daniel A.] NIST, Mat Measurement Lab, Gaithersburg, MD 20889 USA. [Li, Zhuo-Qun; Taylor, Gordon T.] SUNY Stony Brook, Sch Marine & Atmospher Sci, Stony Brook, NY 11794 USA. [Harrison, Robert J.] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.; Wong, SS (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Div, Bldg 180, Upton, NY 11973 USA. EM stanislaus.wong@stonybrook.edu FU U.S. Department of Energy (DOE), Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. DOE [DE-SC-00112704]; New York State; IACS endowment fund; National Science Foundation (NSF) [ACI-1216644]; NSF MRI grant [OCE-1336724] FX Research support for LW, JH, YZ, RZ, HL, JA, and SSW was provided by the U.S. Department of Energy (DOE), Basic Energy Sciences, Materials Sciences and Engineering Division. NEXAFS experiments were carried out at the National Synchrotron Light Source at Brookhaven National Lab, which is supported by the U.S. DOE under Contract No. DE-SC-00112704. DFT results in this manuscript are based in part upon work performed at the Institute for Advanced Computational Science, SUNY Stony Brook with support from New York State and the IACS endowment fund. RJH also acknowledges support from the National Science Foundation (NSF) under award number ACI-1216644. Raman data were acquired at SBU's Nano-Raman Molecular Imaging Laboratory (NARMIL), established with NSF MRI grant OCE-1336724. Certain commercial names used herein are for illustrative purposes only, and do not constitute an endorsement by the National Institute of Standards and Technology. NR 73 TC 1 Z9 1 U1 15 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 2016 VL 8 IS 34 BP 15553 EP 15570 DI 10.1039/c6nr03091b PG 18 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DU2PO UT WOS:000382053300016 PM 27368081 ER PT J AU Wetterskog, E Klapper, A Disch, S Josten, E Hermann, RP Rucker, U Bruckel, T Bergstrom, L Salazar-Alvarez, G AF Wetterskog, Erik Klapper, Alice Disch, Sabrina Josten, Elisabeth Hermann, Raphael P. Ruecker, Ulrich Brueckel, Thomas Bergstrom, Lennart Salazar-Alvarez, German TI Tuning the structure and habit of iron oxide mesocrystals SO NANOSCALE LA English DT Article ID SELF-ASSEMBLED STRUCTURES; MAGNETIC-FIELD; NANOPARTICLE ASSEMBLIES; COBALT NANOCRYSTALS; BUILDING-BLOCKS; ORDERED ARRAYS; NANOCUBES; CRYSTALLIZATION; SUPERLATTICES; ORIENTATION AB A precise control over the meso-and microstructure of ordered and aligned nanoparticle assemblies, i.e., mesocrystals, is essential in the quest for exploiting the collective material properties for potential applications. In this work, we produced evaporation-induced self-assembled mesocrystals with different mesostructures and crystal habits based on iron oxide nanocubes by varying the nanocube size and shape and by applying magnetic fields. A full 3D characterization of the mesocrystals was performed using image analysis, high-resolution scanning electron microscopy and Grazing Incidence Small Angle X-ray Scattering (GISAXS). This enabled the structural determination of e.g. multi-domain mesocrystals with complex crystal habits and the quantification of interparticle distances with sub-nm precision. Mesocrystals of small nanocubes (l = 8.6-12.6 nm) are isostructural with a body centred tetragonal (bct) lattice whereas assemblies of the largest nanocubes in this study (l = 13.6 nm) additionally form a simple cubic (sc) lattice. The mesocrystal habit can be tuned from a square, hexagonal to star-like and pillar shapes depending on the particle size and shape and the strength of the applied magnetic field. Finally, we outline a qualitative phase diagram of the evaporation-induced self-assembled superparamagnetic iron oxide nanocube mesocrystals based on nanocube edge length and magnetic field strength. C1 [Wetterskog, Erik; Bergstrom, Lennart; Salazar-Alvarez, German] Stockholm Univ, Dept Mat & Environm Chem, Arrhenius Lab, Stockholm, Sweden. [Wetterskog, Erik] Uppsala Univ, Dept Engn Sci, Angstrom Lab, Uppsala, Sweden. [Klapper, Alice; Josten, Elisabeth; Hermann, Raphael P.; Ruecker, Ulrich; Brueckel, Thomas] Forschungszentrum Julich, JCNS, D-52425 Julich, Germany. [Klapper, Alice; Josten, Elisabeth; Hermann, Raphael P.; Ruecker, Ulrich; Brueckel, Thomas] Forschungszentrum Julich, PGI, JARA FIT, D-52425 Julich, Germany. [Disch, Sabrina] Univ Cologne, Dept Chem, D-50939 Cologne, Germany. [Josten, Elisabeth] Helmholtz Zentrum Dresden Rossendorf, Inst Ion Beam Phys & Mat Res, Bautzner Landstr 100, D-01328 Dresden, Germany. [Hermann, Raphael P.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Wetterskog, E; Salazar-Alvarez, G (reprint author), Stockholm Univ, Dept Mat & Environm Chem, Arrhenius Lab, Stockholm, Sweden.; Wetterskog, E (reprint author), Uppsala Univ, Dept Engn Sci, Angstrom Lab, Uppsala, Sweden. EM erik.wetterskog@angstrom.uu.se; gersal@protonmail.com RI Disch, Sabrina/K-7185-2013; Hermann, Raphael/F-6257-2013; Salazar-Alvarez, German/A-4802-2009; Bergstrom, Lennart/F-2938-2011 OI Disch, Sabrina/0000-0002-4565-189X; Hermann, Raphael/0000-0002-6138-5624; Salazar-Alvarez, German/0000-0002-0671-435X; Bergstrom, Lennart/0000-0002-5702-0681 FU Swedish Research Council; FP-7 Nanomag project [FP7-NMP-604448]; European Community [PIEF-GA-2011-298918]; Fonds der Chemischen Industrie; German Research Foundation (DFG) [DI 1788/2-1]; Materials Sciences and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy; Knut and Alice Wallenberg Foundation [3DEM-NATUR]; SU FX We acknowledge SOLEIL for the provision of synchrotron radiation facilities and we would like to thank F. Meneau for assistance in using the beamline SWING. This research was funded by the Swedish Research Council. E. W. acknowledges partial financial support from the FP-7 Nanomag project (FP7-NMP-604448). S. D. acknowledges financial support by the 7th European Community Framework Programme (PIEF-GA-2011-298918), the Fonds der Chemischen Industrie, and the German Research Foundation (DFG: Emmy Noether Grant DI 1788/2-1). R. P. H. acknowledges support from the Materials Sciences and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy. G. S. A. thanks the Knut and Alice Wallenberg Foundation for partial financial support within the project 3DEM-NATUR and for financing the microscopy facilities at SU. We thank E. Kentzinger for assistance with the GISAXS measurements at GALAXI. J. Mouzon and M. Agthe are acknowledged for assistance in acquiring a part of the SEM images. P. Svedlindh is acknowledged for performing the magnetometry measurements. NR 63 TC 1 Z9 1 U1 22 U2 24 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 2016 VL 8 IS 34 BP 15571 EP 15580 DI 10.1039/c6nr03776c PG 10 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DU2PO UT WOS:000382053300017 PM 27448065 ER PT J AU Unocic, RR Lupini, AR Borisevich, AY Cullen, DA Kalinin, SV Jesse, S AF Unocic, Raymond R. Lupini, Andrew R. Borisevich, Albina Y. Cullen, David A. Kalinin, Sergei V. Jesse, Stephen TI Direct-write liquid phase transformations with a scanning transmission electron microscope SO NANOSCALE LA English DT Article ID IN-SITU; GROWTH; NANOSCALE; BEAM; NANOPARTICLES; DYNAMICS AB The highly energetic electron beam (e-beam) in a scanning transmission electron microscope (STEM) can induce local changes in the state of matter, ranging from knock-on and atomic movement, to amorphization/crystallization, and to localized chemical/electrochemical reactions. To date, fundamental studies of e-beam induced phenomena and practical applications have been limited by conventional STEM e-beam rastering modes that allow only for uniform e-beam exposures. Here, an automated liquid phase nanolithography method has been developed that enables the direct writing of nanometer scaled features within microfabricated liquid cells. An external e-beam control system, connected to the scan coils of an aberration-corrected STEM, is used to precisely control the position, dwell time, and scan rate of a sub-nanometer STEM probe. Site-specific locations in a sealed liquid cell containing an aqueous solution of H2PdCl4 are irradiated to deposit palladium nanocrystals onto silicon nitride membranes in a highly controlled manner. The threshold electron dose required for the radiolytic deposition of metallic palladium has been determined, the influence of electron dose on the nanolithographically patterned feature size and morphology is explored, and a feedback-controlled monitoring method for active control of the nanofabricated structures through STEM detector signal monitoring is proposed. This approach enables fundamental studies of electron beam induced interactions with matter in liquid cells and opens new pathways to fabricate nanostructures with tailored architectures and chemistries via shape-controlled nanolithographic patterning from liquid-phase precursors. C1 [Unocic, Raymond R.; Kalinin, Sergei V.; Jesse, Stephen] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 17837 USA. [Unocic, Raymond R.; Lupini, Andrew R.; Borisevich, Albina Y.; Cullen, David A.; Kalinin, Sergei V.; Jesse, Stephen] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Lupini, Andrew R.; Borisevich, Albina Y.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Unocic, RR; Jesse, S (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 17837 USA.; Unocic, RR; Jesse, S (reprint author), Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. EM unocicrr@ornl.gov; sjesse@ornl.gov OI Cullen, David/0000-0002-2593-7866 FU Oak Ridge National Laboratory's Center for Nanophase Materials Sciences, U.S. Department of Energy (DOE), Office of Science User Facility; Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, DOE; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory FX Research was supported by Oak Ridge National Laboratory's Center for Nanophase Materials Sciences, which is a U.S. Department of Energy (DOE), Office of Science User Facility (RRU, DAC, SVK). Research supported in part by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, DOE (ARL and AYB). Research 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 (SJ). NR 35 TC 3 Z9 3 U1 8 U2 10 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 2016 VL 8 IS 34 BP 15581 EP 15588 DI 10.1039/c6nr04994j PG 8 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DU2PO UT WOS:000382053300018 PM 27510435 ER PT J AU Rana, A Patra, A Annamalai, M Srivastava, A Ghosh, S Stoerzinger, K Lee, YL Prakash, S Jueyuan, RY Goohpattader, PS Satyanarayana, N Gopinadhan, K Dykas, MM Poddar, K Saha, S Sarkar, T Kumar, B Bhatia, CS Giordano, L Shao-Horn, Y Venkatesan, T AF Rana, Abhimanyu Patra, Abhijeet Annamalai, Meenakshi Srivastava, Amar Ghosh, Siddhartha Stoerzinger, Kelsey Lee, Yueh-Lin Prakash, Saurav Jueyuan, Reuben Yeo Goohpattader, Partho S. Satyanarayana, Nalam Gopinadhan, Kalon Dykas, Michal M. Poddar, Kingshuk Saha, Surajit Sarkar, Tarapada Kumar, Brijesh Bhatia, Charanjit S. Giordano, Livia Shao-Horn, Yang Venkatesan, T. TI Correlation of nanoscale behaviour of forces and macroscale surface wettability SO NANOSCALE LA English DT Article ID CAPILLARY FORCE; ADHESION FORCES; MICROSCOPY; WATER; MICA; HYDROPHOBICITY; ADSORPTION; MONOLAYERS; PARTICLES; HUMIDITY AB In this manuscript, we demonstrate a method based on atomic force microscopy which enables local probing of surface wettability. The maximum pull-off force, obtained from force spectroscopy shows a remarkable correlation with the macroscopically observed water contact angle, measured over a wide variety of surfaces starting from hydrophilic, all the way through to hydrophobic ones. This relationship, consequently, facilitates the establishment of a universal behaviour. The adhesion forces scale with the polar component of surface energy. However, no such relation could be established with the dispersive component. Hence, we postulate that the force(s) which enable us to correlate the force spectroscopy data measured on the nanoscale to the macroscopic contact angle are primarily arising from electrostatic-dipole-dipole interactions at the solid-liquid interface. London forces play less of a role. This effect in is line with density functional theory (DFT) calculations suggesting a higher degree of hydroxylation of hydrophilic surfaces. This result shows that molecular simulations and measurements on an atomic scale can be extrapolated to macroscopic surface wetting problems. C1 [Rana, Abhimanyu; Patra, Abhijeet; Annamalai, Meenakshi; Srivastava, Amar; Ghosh, Siddhartha; Prakash, Saurav; Gopinadhan, Kalon; Dykas, Michal M.; Poddar, Kingshuk; Saha, Surajit; Sarkar, Tarapada; Kumar, Brijesh; Venkatesan, T.] Natl Univ Singapore, NUSNNI NanoCore, Singapore 117411, Singapore. [Patra, Abhijeet; Prakash, Saurav; Dykas, Michal M.; Poddar, Kingshuk; Venkatesan, T.] Natl Univ Singapore, NUS Grad Sch Integrat Sci & Engn NGS, Singapore 117456, Singapore. [Stoerzinger, Kelsey; Lee, Yueh-Lin; Giordano, Livia; Shao-Horn, Yang] MIT, Electrochem Energy Lab, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Jueyuan, Reuben Yeo; Goohpattader, Partho S.; Satyanarayana, Nalam; Bhatia, Charanjit S.; Venkatesan, T.] Natl Univ Singapore, Dept Elect Engn, 4 Engn Dr 3, Singapore 117583, Singapore. [Giordano, Livia] US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd,POB 10940, Pittsburgh, PA 15236 USA. [Venkatesan, T.] Natl Univ Singapore, Dept Phys, Fac Sci, Singapore 117551, Singapore. [Venkatesan, T.] Natl Univ Singapore, Dept Mat Sci & Engn, Singapore 117575, Singapore. [Rana, Abhimanyu] Univ Twente, MESA Inst Nanotechnol, POB 217, NL-7500 AE Enschede, Netherlands. RP Shao-Horn, Y; Venkatesan, T (reprint author), Natl Univ Singapore, NUSNNI NanoCore, Singapore 117411, Singapore.; Venkatesan, T (reprint author), Natl Univ Singapore, NUS Grad Sch Integrat Sci & Engn NGS, Singapore 117456, Singapore.; Shao-Horn, Y (reprint author), MIT, Electrochem Energy Lab, 77 Massachusetts Ave, Cambridge, MA 02139 USA.; Venkatesan, T (reprint author), Natl Univ Singapore, Dept Elect Engn, 4 Engn Dr 3, Singapore 117583, Singapore.; Venkatesan, T (reprint author), Natl Univ Singapore, Dept Phys, Fac Sci, Singapore 117551, Singapore.; Venkatesan, T (reprint author), Natl Univ Singapore, Dept Mat Sci & Engn, Singapore 117575, Singapore. EM shaohorn@mit.edu; venky@nus.edu.sg RI Rana, Abhimanyu/D-5549-2013; Kalon, Gopinadhan/K-3698-2012; OI Rana, Abhimanyu/0000-0001-8800-5444; Kalon, Gopinadhan/0000-0001-8137-1521; Stoerzinger, Kelsey/0000-0002-3431-8290 FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; NRF CRP [NRF-CRP8-2011-06] FX Abhimanyu Rana, Abhijeet Patra and Meenakshi Annamalai contributed equally to this work. The manuscript was written through contributions of all authors. All authors have given approval to the final version of the manuscript. This research 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. Abhimanyu Rana would like to acknowledge discussion with Prof. S. B. Ogale. M. Annamalai would like to acknowledge support from NUSNNI core fund. T. Venkatesan would like to acknowledge the funding support from NRF CRP (NRF-CRP8-2011-06). NR 36 TC 0 Z9 0 U1 3 U2 4 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 2016 VL 8 IS 34 BP 15597 EP 15603 DI 10.1039/c6nr02076c PG 7 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DU2PO UT WOS:000382053300020 PM 27510557 ER PT J AU Tom, S Jin, HE Heo, K Lee, SW AF Tom, Steven Jin, Hyo-Eon Heo, Kwang Lee, Seung-Wuk TI Engineered phage films as scaffolds for CaCO3 biomineralization SO NANOSCALE LA English DT Article ID ABALONE SHELL; PRECURSOR; COLLAGEN; DIFFERENTIATION; MINERALIZATION; BACTERIOPHAGE; PROTEINS; PEPTIDE AB M13 bacteriophages (phage) were exploited as CaCO3 mineralization scaffolds for hard tissue engineering applications. M13 phage was first self-assembled into biomimetic fibrous scaffolds, followed by CaCO3 biomineralization via the polymer-induced liquid precursor process. The phage scaffolds successfully incorporated calcium carbonate, facilitating nucleation and growth of spherulitically textured calcite. The Young's modulus of the scaffolds increased by an order of magnitude after mineralization while also supporting the growth of mouse fibroblasts. These findings demonstrate that phage-based biomaterials are a feasible platform for creating biomineralized hard tissue constructs, in support of future studies in hard tissue engineering and biomedical applications. C1 [Tom, Steven; Jin, Hyo-Eon; Heo, Kwang; Lee, Seung-Wuk] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Tom, Steven] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Tom, Steven; Jin, Hyo-Eon; Heo, Kwang; Lee, Seung-Wuk] Lawrence Berkeley Natl Lab, Biol Syst & Engn, Berkeley, CA 94720 USA. [Jin, Hyo-Eon] Ajou Univ, Coll Pharm, Suwon 16499, South Korea. [Heo, Kwang] Sejong Univ, Dept Nanotechnol & Adv Mat Engn, Seoul 113747, South Korea. RP Lee, SW (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.; Lee, SW (reprint author), Lawrence Berkeley Natl Lab, Biol Syst & Engn, Berkeley, CA 94720 USA. EM leesw@berkeley.edu FU U.S. Army Engineering Research Development Center [W912HZ-11-2-0047]; National Research Foundation of Korea - Korean Government [NRF-2014S1A2A2027641]; Tsinghua-Berkeley Shenzhen Institute FX This work was supported by the U.S. Army Engineering Research Development Center (W912HZ-11-2-0047), the National Research Foundation of Korea Grant funded by the Korean Government (NRF-2014S1A2A2027641), and Tsinghua-Berkeley Shenzhen Institute. NR 35 TC 0 Z9 0 U1 8 U2 8 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 2016 VL 8 IS 34 BP 15696 EP 15701 DI 10.1039/c6nr04322d PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DU2PO UT WOS:000382053300032 PM 27524198 ER PT S AU Melik-Gaykazyan, EV Shorokhov, AS Shcherbakov, MR Staude, I Smirnova, DA Miroshnichenko, AE Brener, I Neshev, DN Fedyanin, AA Kivshar, YS AF Melik-Gaykazyan, Elizaveta V. Shorokhov, Alexander S. Shcherbakov, Maxim R. Staude, Isabelle Smirnova, Daria A. Miroshnichenko, Andrey E. Brener, Igal Neshev, Dragomir N. Fedyanin, Andrey A. Kivshar, Yuri S. BE Eggleton, BJ Broderick, NGR Gaeta, AL TI Third harmonic generation in isolated all dielectric meta-atoms (Conference Presentation) SO NONLINEAR OPTICS AND ITS APPLICATIONS IV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Nonlinear Optics and its Applications IV CY APR 04-06, 2016 CL Brussels, BELGIUM SP SPIE, Brussels Photon Team, Res Fdn Flanders, Visit Brussels C1 [Melik-Gaykazyan, Elizaveta V.; Shorokhov, Alexander S.; Shcherbakov, Maxim R.; Fedyanin, Andrey A.] Lomonosov Moscow State Univ, Moscow, Russia. [Staude, Isabelle; Smirnova, Daria A.; Miroshnichenko, Andrey E.; Neshev, Dragomir N.; Kivshar, Yuri S.] Australian Natl Univ, Canberra, ACT, Australia. [Brener, Igal] Sandia Natl Labs, Livermore, CA 94550 USA. RP Melik-Gaykazyan, EV (reprint author), Lomonosov Moscow State Univ, Moscow, Russia. RI Shorokhov, Alexander/H-5523-2015; Melik-Gaykazyan, Elizaveta/J-9073-2015 OI Melik-Gaykazyan, Elizaveta/0000-0001-7633-2376 NR 2 TC 0 Z9 0 U1 4 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 978-1-5106-0139-0 J9 PROC SPIE PY 2016 VL 9894 AR 98940X DI 10.1117/12.2228249 PG 1 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BF4TR UT WOS:000381694500020 ER PT J AU O'Brien, CJ Foiles, SM AF O'Brien, Christopher J. Foiles, Stephen M. TI Hydrogen segregation to inclined Sigma 3 < 110 > twin grain boundaries in nickel SO PHILOSOPHICAL MAGAZINE LA English DT Article DE Twinning; grain boundary structure; nickel; hydrogen in metals; embrittlement; molecular dynamics; Monte Carlo; structural unit model ID 111 1(1)OVER-BAR0 TWIN; MOLECULAR-DYNAMICS; ATOMIC-STRUCTURE; LATTICE-DEFECTS; STRUCTURAL-UNIT; TILT BOUNDARY; FCC METALS; COPPER; THERMODYNAMICS; EMBRITTLEMENT AB Low-mobility twin grain boundaries dominate the microstructure of grain boundary-engineered materials and are critical to understanding their plastic deformation behaviour. The presence of solutes, such as hydrogen, has a profound effect on the thermodynamic stability of the grain boundaries. This work examines the case of a Sigma 3 grain boundary at inclinations from 0 degrees <= Phi <= 90 degrees. The angle Phi corresponds to the rotation of the Sigma 3 (111) < 110 > (coherent) into the Sigma 3 (112) < 110 > (lateral) twin boundary. To this end, atomistic models of inclined grain boundaries, utilising empirical potentials, are used to elucidate the finite-temperature boundary structure while grand canonical Monte Carlo models are applied to determine the degree of hydrogen segregation. In order to understand the boundary structure and segregation behaviour of hydrogen, the structural unit description of inclined twin grain boundaries is found to provide insight into explaining the observed variation of excess enthalpy and excess hydrogen concentration on inclination angle, but the explanatory power is limited by how the enthalpy of segregation is affected by hydrogen concentration. At higher concentrations, the grain boundaries undergo a defaceting transition. In order to develop a more complete mesoscale model of the interfacial behaviour, an analytical model of boundary energy and hydrogen segregation that relies on modelling the boundary as arrays of discrete 1/3 < 111 > disconnections is constructed. Furthermore, the complex interaction of boundary reconstruction and concentration-dependent segregation behaviour exhibited by inclined twin grain boundaries limits the range of applicability of such an analytical model and illustrates the fundamental limitations for a structural unit model description of segregation in lower stacking fault energy materials. C1 [O'Brien, Christopher J.; Foiles, Stephen M.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP O'Brien, CJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM cjobrie@sandia.gov OI O'Brien, Christopher/0000-0001-7210-9257 FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank D.L. Medlin of Sandia National Laboratories for very helpful discussions. 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 [contract number DE-AC04-94AL85000]. NR 56 TC 0 Z9 0 U1 5 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1478-6435 EI 1478-6443 J9 PHILOS MAG JI Philos. Mag. PY 2016 VL 96 IS 26 BP 2808 EP 2828 DI 10.1080/14786435.2016.1217094 PG 21 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA DV0RK UT WOS:000382626500007 ER PT S AU Blasi, B Tucher, N Eisenlohr, J Lee, BG Benick, J Hauser, H Hermle, M Goldschmidt, JC AF Blaesi, Benedikt Tucher, Nico Eisenlohr, Johannes Lee, Benjamin G. Benick, Jan Hauser, Hubert Hermle, Martin Goldschmidt, Jan Christoph BE Wehrspohn, RB Gombert, A Sprafke, AN TI Rear side gratings for silicon solar cells: efficiency enhancement finally demonstrated SO PHOTONICS FOR SOLAR ENERGY SYSTEMS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Photonics for Solar Energy Systems VI CY APR 05-07, 2016 CL Brussels, BELGIUM SP SPIE, Brussels Photon Team, Res Fdn Flanders, Visit Brussels DE Silicon solar cells; diffraction gratings; microstructure fabrication; wave optical modelling; nanoimprint lithography; light trapping; photon management ID DIFFRACTION GRATINGS; SPHERE GRATINGS; SIMULATION; LITHOGRAPHY; FORMALISM AB After more than 20 years of research on rear side gratings for light trapping in solar cells, we have been able to demonstrate enhanced efficiencies for crystalline silicon solar cells with two different grating concepts and solar cell architectures. In both cases planar front sides have been used. With hexagonal sphere gratings and the tunnel oxide passivated contact (TOPCon) concept, a grating induced J(sc) increase of 1.4 mA/cm(2) and an efficiency increase of 0.8% absolute could be achieved. With binary crossed gratings fabricated by a nanoimprint based process chain, a grating induced J(sc) gain of 1.2 mA/cm(2) and an efficiency gain of 0.7% absolute could be achieved. For the binary grating concept, cell thickness variations have also been performed. The increasing importance of the light trapping properties towards low solar cell thicknesses could be confirmed by an enhanced EQE in the long wavelength region (J(sc) increase: 1.6 mA/cm(2) for 150 mu m and 1.8 mA/cm(2) for 100 mu m thick solar cells). The results are in very good agreement with simulations using the OPTOS modeling formalism. OPTOS enables the further analysis and optimization of grating concepts in silicon solar cells and modules. So a grating induced J(sc) gain of 0.8 mA/cm(2) is forecast for solar cells with pyramidal front side texture. On module level, still a grating induced J(sc) gain of 0.6 mA/cm(2) can be expected. C1 [Blaesi, Benedikt; Tucher, Nico; Eisenlohr, Johannes; Benick, Jan; Hauser, Hubert; Hermle, Martin; Goldschmidt, Jan Christoph] Fraunhofer Inst Solar Energy Syst ISE, Heidenhofstr 2, D-79110 Freiburg, Germany. [Lee, Benjamin G.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Blasi, B (reprint author), Fraunhofer Inst Solar Energy Syst ISE, Heidenhofstr 2, D-79110 Freiburg, Germany. EM benedikt.blaesi@ise.fraunhofer.de RI Blasi, Benedikt/A-5618-2012 OI Blasi, Benedikt/0000-0003-1624-1530 NR 31 TC 0 Z9 0 U1 5 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 978-1-5106-0143-7 J9 PROC SPIE PY 2016 VL 9898 AR 98980A DI 10.1117/12.2228713 PG 9 WC Energy & Fuels; Engineering, Electrical & Electronic; Optics SC Energy & Fuels; Engineering; Optics GA BF4TS UT WOS:000381695100003 ER PT S AU Rosenkranz, JB Martinez-Anido, CB Hodge, BM AF Rosenkranz, Joshua-Benedict Martinez-Anido, Carlo Brancucci Hodge, Bri-Mathias GP IEEE TI Analyzing the Impact of Solar Power on Multi-Hourly Thermal Generator Ramping SO PROCEEDINGS 2016 EIGHTH ANNUAL IEEE GREEN TECHNOLOGIES CONFERENCE (GREENTECH 2016) SE IEEE Green Technologies Conference LA English DT Proceedings Paper CT 8th IEEE Green Technologies Conference (GreenTech) CY APR 06-08, 2016 CL Kansas City, MO SP IEEE, Burns & McDonnell, Milbank, S & C Elect Co, IEEE USA, IEEE Comp Soc, Brinks Gilson & Lione, IEEE Reg 5 ID ENVIRONMENTAL IMPACTS; ENERGY AB Solar power generation, unlike conventional forms of electricity generation, has higher variability and uncertainty in its output, because solar plant output is strongly impacted by weather. As the penetration rate of solar capacity increases, grid operators are increasingly concerned about accommodating the increased variability and uncertainty that solar power provides. This paper illustrates the impacts of increasing solar power penetration on ramping of conventional electricity generators by simulating the operation of the Independent System Operator New England (ISO-NE) power system. A production cost model was used to simulate the power system under five different scenarios, one without solar power and four with increasing solar power penetrations up to 18%, in terms of annual energy. The impact of solar power is analyzed on six different temporal intervals, including hourly and multi-hourly (2- to 6-hour) ramping. The results show how the integration of solar power increases the 1- to 6-hour ramping events of the net load (electric load minus solar power). The study also analyzes the impact of solar power on the distribution of multi-hourly ramping events of fossil fueled generators, and shows increasing 1- to 6-hour ramping events for all different generators. Especially generators with higher ramp rates like gas and oil turbine and internal combustion engine generators increased their ramping events by 200% - 280%. For other generator types, including gas combined cycle generators, coal steam turbine generators, and gas and oil steam turbine generators, more and higher ramping events occurred as well for higher solar power penetration levels. C1 [Rosenkranz, Joshua-Benedict; Martinez-Anido, Carlo Brancucci; Hodge, Bri-Mathias] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Rosenkranz, JB (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 18 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2166-546X BN 978-1-5090-2039-3 J9 IEEE GREEN TECHNOL PY 2016 BP 153 EP 158 DI 10.1109/GreenTech.2016.35 PG 6 WC Engineering, Electrical & Electronic SC Engineering GA BF5WJ UT WOS:000382700700026 ER PT J AU Weaver, BP Hamada, MS AF Weaver, B. P. Hamada, M. S. TI Quality quandaries: A gentle introduction to Bayesian statistics SO QUALITY ENGINEERING LA English DT Article AB KEY POINTWe provide a gentle introduction to this powerful analysis method that can handle complex data and modeling situations. C1 [Weaver, B. P.; Hamada, M. S.] Los Alamos Natl Lab, Stat Sci Grp, Mail Stop F600, Los Alamos, NM 87545 USA. RP Hamada, MS (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Mail Stop F600, Los Alamos, NM 87545 USA. EM hamada@lanl.gov NR 9 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0898-2112 EI 1532-4222 J9 QUAL ENG JI Qual. Eng. PY 2016 VL 28 IS 4 BP 508 EP 514 DI 10.1080/08982112.2016.1167220 PG 7 WC Engineering, Industrial; Statistics & Probability SC Engineering; Mathematics GA DT6HG UT WOS:000381584700013 ER PT S AU Castillo, S AF Castillo, Steven BE Ranney, KI Doerry, A TI Pathfinder Radar Development at Sandia National Laboratories SO RADAR SENSOR TECHNOLOGY XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XX CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE Synthetic Aperture Radar; polarimetric; real time; digital radar; human-machine interface; SAR image feature extraction AB Since the invention of Synthetic Aperture Radar imaging in the 1950's, users or potential users have sought to exploit SAR imagery for a variety of applications including the earth sciences and defense. At Sandia Laboratories, SAR R&D and associated defense applications grew out of the nuclear weapons program in the 1980's and over the years has become a highly viable ISR sensor for a variety of tactical applications. Sandia SAR systems excel where real-time, high-resolution, all-weather, day or night surveillance is required for developing situational awareness. This presentation will discuss the various aspects of Sandia's airborne ISR capability with respect to issues related to current operational success as well as the future direction of the capability as Sandia seeks to improve the SAR capability it delivers into multiple mission scenarios. Issues discussed include fundamental radar capabilities, advanced exploitation techniques and human-computer interface (HMI) challenges that are part of the advances required to maintain Sandia's ability to continue to support ever changing and demanding mission challenges. C1 [Castillo, Steven] Sandia Natl Labs, Airborne ISR Syst, POB 5800 MS0532, Albuquerque, NM 87185 USA. RP Castillo, S (reprint author), Sandia Natl Labs, Airborne ISR Syst, POB 5800 MS0532, Albuquerque, NM 87185 USA. EM spcasti@sandia.gov NR 0 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 978-1-5106-0070-6 J9 PROC SPIE PY 2016 VL 9829 AR UNSP 98290T DI 10.1117/12.2225863 PG 14 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BF5QW UT WOS:000382503800024 ER PT S AU Doerry, AW AF Doerry, A. W. BE Ranney, KI Doerry, A TI Comments on airborne ISR radar utilization SO RADAR SENSOR TECHNOLOGY XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XX CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE radar; ISR; utilization; modes AB A sensor/payload operator for modern multi-sensor multi-mode Intelligence, Surveillance, and Reconnaissance (ISR) platforms is often confronted with a plethora of options in sensors and sensor modes. This often leads an over-worked operator to down-select to favorite sensors and modes; for example a justifiably favorite Full Motion Video (FMV) sensor at the expense of radar modes, even if radar modes can offer unique and advantageous information. At best, sensors might be used in a serial monogamous fashion with some cross-cueing. The challenge is then to increase the utilization of the radar modes in a manner attractive to the sensor/payload operator. We propose that this is best accomplished by combining sensor modes and displays into 'super-modes'. C1 [Doerry, A. W.] Sandia Natl Labs, POB 5800,MS 0519, 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 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 978-1-5106-0070-6 J9 PROC SPIE PY 2016 VL 9829 AR UNSP 98291M DI 10.1117/12.2214517 PG 12 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BF5QW UT WOS:000382503800050 ER PT S AU Doerry, AW Bicker, DL AF Doerry, A. W. Bicker, D. L. BE Ranney, KI Doerry, A TI Antenna phase center locations in tapered aperture subarrays SO RADAR SENSOR TECHNOLOGY XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XX CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE radar; antenna; subapertures; array; sidelobes AB Antenna apertures are often parsed into subapertures for Direction of Arrival (DOA) measurements. However, when the overall aperture is tapered for sidelobe control, the locations of phase centers for the individual subapertures are shifted due to the local taper of individual subapertures. Furthermore, individual subaperture gains are also affected. These non-uniform perturbations complicate DOA calculations. Techniques are presented to calculate subaperture phase center locations, and algorithms are given for equalizing subapertures' gains. C1 [Doerry, A. W.; Bicker, D. L.] Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA. RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA. EM awdoerr@sandia.gov; dlbicke@sandia.gov NR 2 TC 0 Z9 0 U1 3 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 978-1-5106-0070-6 J9 PROC SPIE PY 2016 VL 9829 AR UNSP 98291K DI 10.1117/12.2214515 PG 12 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BF5QW UT WOS:000382503800048 ER PT S AU Doerry, AW AF Doerry, A. W. BE Ranney, KI Doerry, A TI Representing SAR complex image pixels SO RADAR SENSOR TECHNOLOGY XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XX CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE SAR; complex; image; pixels AB Synthetic Aperture Radar (SAR) images are often complex-valued to facilitate specific exploitation modes. Furthermore, these pixel values are typically represented with either real/imaginary (also known as I/Q) values, or as Magnitude/Phase values, with constituent components comprised of integers with limited number of bits. For clutter energy well below full-scale, Magnitude/Phase offers lower quantization noise than I/Q representation. Further improvement can be had with companding of the Magnitude value. C1 [Doerry, A. W.] Sandia Natl Labs, POB 5800,MS 0519, 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 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 978-1-5106-0070-6 J9 PROC SPIE PY 2016 VL 9829 AR UNSP 98291L DI 10.1117/12.2214516 PG 11 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BF5QW UT WOS:000382503800049 ER PT S AU McNamara, LA Klein, LM AF McNamara, Laura A. Klein, Laura M. BE Ranney, KI Doerry, A TI Context-Sensitive Design and Human Interaction Principles for Usable, Useful, and Adoptable Radars SO RADAR SENSOR TECHNOLOGY XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XX CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE Usability; Intelligence, Surveillance, and Reconnaissance (ISR); Human-System Integration (HSI); Synthetic Aperture Radar (SAR); Incremental Development AB The evolution of exquisitely sensitive Synthetic Aperture Radar (SAR) systems is positioning this technology for use in time-critical environments, such as search-and-rescue missions and improvised explosive device (IED) detection. SAR systems should be playing a keystone role in the United States' Intelligence, Surveillance, and Reconnaissance activities. Yet many in the SAR community see missed opportunities for incorporating SAR into existing remote sensing data collection and analysis challenges. Drawing on several years' of field research with SAR engineering and operational teams, this paper examines the human and organizational factors that mitigate against the adoption and use of SAR for tactical ISR and operational support. We suggest that SAR has a design problem, and that context-sensitive, human and organizational design frameworks are required if the community is to realize SAR's tactical potential. C1 [McNamara, Laura A.; Klein, Laura M.] Sandia Natl Labs, MS 0516, Albuquerque, NM 87015 USA. RP McNamara, LA (reprint author), Sandia Natl Labs, MS 0516, Albuquerque, NM 87015 USA. NR 20 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 978-1-5106-0070-6 J9 PROC SPIE PY 2016 VL 9829 AR UNSP 982906 DI 10.1117/12.2225273 PG 10 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BF5QW UT WOS:000382503800005 ER PT S AU Musgrove, C AF Musgrove, Cameron BE Ranney, KI Doerry, A TI Synthetic aperture radar speckle reduction for circle mode SAR images SO RADAR SENSOR TECHNOLOGY XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XX CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE synthetic aperture radar; SAR; circle mode SAR; image registration ID REGISTRATION; FEATURES AB Synthetic aperture radar (SAR) images contain a grainy pattern, called speckle, that is a consequence of a coherent imaging system. For fine resolution SAR images speckle can obscure subtle features and reduce visual appeal. Many speckle reduction methods result in a loss of image resolution and reduce visual appeal which can obscure subtle features. Another approach to maintain resolution while reducing speckle is to register and combine multiple images. For persistent surveillance applications it is more efficient for an airborne platform to fly circles around the particular area of interest. In these cases, it would be beneficial to combine multiple circle mode SAR images, however the image registration process is not so straightforward because the layover angle changes in each image. This paper develops a SAR image registration process for combining multiple circle mode SAR images to reduce speckle while preserving resolution. The registration first uses a feature matching algorithm for a coarse rotation and alignment, and then uses a fine registration and warp. Ku band SAR data from a circle mode SAR collection is used to show the effectiveness of the registration and enhanced visual appeal from multi-looking. C1 [Musgrove, Cameron] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Musgrove, C (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. 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 978-1-5106-0070-6 J9 PROC SPIE PY 2016 VL 9829 AR UNSP 982910 DI 10.1117/12.2222076 PG 7 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BF5QW UT WOS:000382503800029 ER PT S AU Perez, F Campbell, JB Jaramillo, M Dunkel, R Atwood, T Doerry, A Gerstle, WH Santhanam, B Hayat, MM AF Perez, Francisco Campbell, Justin B. Jaramillo, Monica Dunkel, Ralf Atwood, Thomas Doerry, Armin Gerstle, Walter H. Santhanam, Balu Hayat, Majeed M. BE Ranney, KI Doerry, A TI Exploiting synthetic aperture radar imagery for retrieving vibration signatures of concealed machinery SO RADAR SENSOR TECHNOLOGY XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XX CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE Vibration estimation; discrete fractional Fourier transform; synthetic aperture radar; concealed machinery ID FRACTIONAL FOURIER-TRANSFORM AB It has been demonstrated that the instantaneous acceleration associated with vibrating objects that are directly imaged by synthetic aperture radar (SAR) can be estimated through the application of the discrete fractional Fourier transform (DFrFT) using the information contained in the complex SAR image. In general, vibration signatures may include, for example, the number of chirped sinusoids as well as their respective base frequencies and chirp rates. By further processing the DFrFT-processed data for clutter-noise rejection by means of pseudo subspace methods, has been shown that the SAR-vibrometry method can be reliable as long as the signal-to-noise ratio (SNR) and the signal-to-clutter ratio (SCR) of the slow-time SAR signal at the range-line of interest exceeds 15dB. Meanwhile, the Nyquist theorem dictates that the maximum measurable vibration frequency is limited by half of the pulse-repetition frequency. This paper focuses on the detection and estimation of vibrations generated by machinery concealed within buildings and other structures. This is a challenging task in general because the vibration signatures of the source are typically altered by their housing structure; moreover, the SNR at the surface of the housing structure tends to be reduced. Here, experimental results for three different vibrating targets, including one concealed target, are reported using complex SAR images acquired by the General Atomics Lynx radar at resolutions of 1-ft and 4-in. The concealed vibrating target is actuated by a gear motor with an off-balance weight attached to it, which is enclosed by a wooden housing. The vibrations of the motor are transmitted to a chimney that extends above the housing structure. Using the SAR vibrometry approach, it is shown that it is possible to distinguish among the three vibrating objects based upon their vibration signatures. C1 [Perez, Francisco; Campbell, Justin B.; Jaramillo, Monica; Gerstle, Walter H.; Santhanam, Balu; Hayat, Majeed M.] Univ New Mexico, Ctr High Technol Mat, 1313 Goddard SE, Albuquerque, NM 87106 USA. [Perez, Francisco; Campbell, Justin B.; Jaramillo, Monica; Gerstle, Walter H.; Santhanam, Balu; Hayat, Majeed M.] Univ New Mexico, Dept Elect & Comp Engn, 1313 Goddard SE, Albuquerque, NM 87106 USA. [Atwood, Thomas; Doerry, Armin] Sandia Natl Labs, 1515 Eubank SE, Albuquerque, NM 87123 USA. [Dunkel, Ralf] Gen Atom Aeronaut Syst Inc, 14200 Kirkham Way, Poway, CA 92121 USA. RP Perez, F (reprint author), Univ New Mexico, Ctr High Technol Mat, 1313 Goddard SE, Albuquerque, NM 87106 USA.; Perez, F (reprint author), Univ New Mexico, Dept Elect & Comp Engn, 1313 Goddard SE, Albuquerque, NM 87106 USA. NR 10 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 978-1-5106-0070-6 J9 PROC SPIE PY 2016 VL 9829 AR UNSP 982903 DI 10.1117/12.2224148 PG 12 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BF5QW UT WOS:000382503800002 ER PT S AU Sheen, DM Hall, TE McMakin, DL Jones, AM Tedeschi, JR AF Sheen, David M. Hall, Thomas E. McMakin, Douglas L. Jones, A. Mark Tedeschi, Jonathan R. BE Ranney, KI Doerry, A TI Three-dimensional radar imaging techniques and systems for near-field applications SO RADAR SENSOR TECHNOLOGY XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XX CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE Radar imaging; millimeter-wave imaging; microwave imaging; concealed-weapon detection ID CONCEALED WEAPON DETECTION; MILLIMETER-WAVE; HOLOGRAPHY; TERAHERTZ AB The Pacific Northwest National Laboratory has developed three-dimensional holographic (synthetic aperture) radar imaging techniques and systems for a wide variety of near-field applications. These applications include radar cross-section (RCS) imaging, personnel screening, standoff concealed weapon detection, concealed threat detection, through-barrier imaging, ground penetrating radar (GPR), and non-destructive evaluation (NDE). Sequentially-switched linear arrays are used for many of these systems to enable high-speed data acquisition and 3-D imaging. In this paper, the techniques and systems will be described along with imaging results that demonstrate the utility of near-field 3-D radar imaging for these compelling applications. C1 [Sheen, David M.; Hall, Thomas E.; McMakin, Douglas L.; Jones, A. Mark; Tedeschi, Jonathan R.] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. RP Sheen, DM (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. EM david.sheen@pnnl.gov NR 18 TC 0 Z9 0 U1 5 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 978-1-5106-0070-6 J9 PROC SPIE PY 2016 VL 9829 AR UNSP 98290V DI 10.1117/12.2229235 PG 12 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BF5QW UT WOS:000382503800026 ER PT S AU Tran, J AF Tran, Jonathan BE Ranney, KI Doerry, A TI Index for Surface Coherence (ISC): A Method for Calculating Change Susceptibility SO RADAR SENSOR TECHNOLOGY XX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Radar Sensor Technology XX CY APR 18-21, 2016 CL Baltimore, MD SP SPIE DE false alarm reduction; SAR; coherent change detection; CCD; probabilistic fusion; superpixel neighborhoods AB Coherent change detection (CCD) provides a way for analysts and detectors to find ephemeral features that would otherwise be invisible in traditional synthetic aperture radar (SAR) imagery. However, CCD can produce false alarms in regions of the image that have low SNli and high vegetation areas. The method proposed looks to eliminate these false alarm regions by creating a mask which can then be applied to change products..This is done by utilizing both the magnitude and coherence feature statistics of a scene. For each feature, the image is segmented into groups of similar pixels called superpixels. The method then utilizes a training phase to model each terrain that the user deems as capable of supporting change and statistically comparing superpixels in the image to the modeled terrain types. Finally, the method combines the features using probabilistic fusion to create a mask that a user can threshold and apply to a change product for human analysis or automatic feature detectors. C1 [Tran, Jonathan] Sandia Natl Labs, POB 5800,MS0512, Albuquerque, NM 87185 USA. RP Tran, J (reprint author), Sandia Natl Labs, POB 5800,MS0512, Albuquerque, NM 87185 USA. EM jtran@sandia.gov NR 15 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 978-1-5106-0070-6 J9 PROC SPIE PY 2016 VL 9829 AR UNSP 98291N DI 10.1117/12.2222185 PG 14 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BF5QW UT WOS:000382503800051 ER PT J AU Parfitt, DC Cooper, MWD Rushton, MJD Christopoulos, SRG Fitzpatricka, ME Chroneos, A AF Parfitt, D. C. Cooper, M. W. D. Rushton, M. J. D. Christopoulos, S. -R. G. Fitzpatricka, M. E. Chroneos, A. TI Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels SO RSC ADVANCES LA English DT Article ID EQUATION-OF-STATE; THERMAL-EXPANSION; IONIC-CONDUCTIVITY; 1ST PRINCIPLES; HIGH-PRESSURE; THORIUM FUEL; HT-XRD; UO2; METALS; HETEROSTRUCTURES AB Mixed-oxide fuels containing uranium with thorium and/or plutonium may play an important part in future nuclear fuel cycles. There are, however, significantly less data available for these materials than conventional uranium dioxide fuel. In the present study, we employ molecular dynamics calculations to simulate the elastic properties and thermal expansivity of a range of mixed oxide compositions. These are then used to support equations of state and oxygen self-diffusion models to provide a self-consistent prediction of the behaviour of these mixed oxide fuels at arbitrary compositions. C1 [Parfitt, D. C.; Christopoulos, S. -R. G.; Fitzpatricka, M. E.; Chroneos, A.] Coventry Univ, Fac Engn Environm & Comp, Priory St, Coventry CV1 5FB, W Midlands, England. [Cooper, M. W. D.] Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA. [Rushton, M. J. D.] Imperial Coll London, Ctr Nucl Engn CNE, South Kensington Campus, London SW7 2AZ, England. [Rushton, M. J. D.] Imperial Coll London, Dept Mat, South Kensington Campus, London SW7 2AZ, England. RP Parfitt, DC; Chroneos, A (reprint author), Coventry Univ, Fac Engn Environm & Comp, Priory St, Coventry CV1 5FB, W Midlands, England. EM david.parfitt@coventry.ac.uk; ab8104@coventry.ac.uk OI Christopoulos, Stavros-Richard/0000-0002-8468-2998; Fitzpatrick, Michael/0000-0002-3618-6594 FU Department of Energy (DoE), Office for Nuclear Energy, Nuclear Energy Advanced Modelling and Simulation (NEAMS) program; Lloyd's Register Foundation; charitable foundation FX MWDC is funded by the Department of Energy (DoE), Office for Nuclear Energy, Nuclear Energy Advanced Modelling and Simulation (NEAMS) program. SRGC, MEF and AC are grateful for funding from the Lloyd's Register Foundation, a charitable foundation helping to protect life and property by supporting engineering-related education, public engagement and the application of research. NR 58 TC 2 Z9 2 U1 2 U2 3 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 2016 VL 6 IS 78 BP 74018 EP 74027 DI 10.1039/c6ra14424a PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA DT5HR UT WOS:000381513600007 ER PT J AU Ma, Y Li, H Bridges, D Peng, P Lawrie, B Feng, ZL Hu, AM AF Ma, Ying Li, Hong Bridges, Denzel Peng, Peng Lawrie, Benjamin Feng, Zhili Hu, Anming TI Zero-dimensional to three-dimensional nanojoining: current status and potential applications SO RSC ADVANCES LA English DT Review ID SURFACE-PLASMON RESONANCE; IMPROVED DEVICE PERFORMANCE; HIGH-TEMPERATURE SYNTHESIS; CARBON NANOTUBE JUNCTIONS; HIGH-POWER-DENSITY; C-F/SIC COMPOSITE; GOLD NANOPARTICLES; DIE-ATTACH; SILVER NANOSTRUCTURES; FLEXIBLE ELECTRONICS AB The continuing miniaturization of microelectronics is pushing advanced manufacturing into nanomanufacturing. Nanojoining is a bottom-up assembly technique that enables functional nanodevice fabrication with dissimilar nanoscopic building blocks and/or molecular components. Various conventional joining techniques have been modified and re-invented for joining nanomaterials. This review surveys recent progress in nanojoining methods, as compared to conventional joining processes. Examples of nanojoining are given and classified by the dimensionality of the joining materials. At each classification, nanojoining is reviewed and discussed according to materials specialties, low dimensional processing features, energy input mechanisms and potential applications. The preparation of new intermetallic materials by reactive nanoscale multilayer foils based on self-propagating high-temperature synthesis is highlighted. This review will provide insight into nanojoining fundamentals and innovative applications in power electronics packaging, plasmonic devices, nanosoldering for printable electronics, 3D printing and space manufacturing. C1 [Ma, Ying; Hu, Anming] Beijing Univ Technol, Inst Laser Engn, 100 Pingle Yuan, Beijing 100124, Peoples R China. [Li, Hong] Beijing Univ Technol, Coll Mat Sci & Engn, 100 Pingle Yuan, Beijing 100124, Peoples R China. [Bridges, Denzel; Hu, Anming] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, 1512 Middle Dr, Knoxville, TN 37996 USA. [Peng, Peng] Beihang Univ, Int Res Inst Multidisciplinary Sci, Sch Mech Engn & Automat, 37 Xueyuan Rd, Beijing 100191, Peoples R China. [Lawrie, Benjamin] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Feng, Zhili] Oak Ridge Natl Lab, Div Mat Sci & Technol, Mat Proc & Joining, POB 2008, Oak Ridge, TN 37831 USA. RP Hu, AM (reprint author), Beijing Univ Technol, Inst Laser Engn, 100 Pingle Yuan, Beijing 100124, Peoples R China.; Hu, AM (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, 1512 Middle Dr, Knoxville, TN 37996 USA. EM anminghu@bjut.edu.cn RI Hu, Anming/E-7370-2011 OI Hu, Anming/0000-0001-9794-0549 FU Nature Science Foundation of China (NSFC) [51575016, 51475007]; Beijing Natural Science Foundation [KZ20141000500]; University of Tennessee Knoxville; Oak Ridge National Lab (ORNL); U.S. Department of Energy [DE-AC05-00O22725]; Laboratory Directed Research and Development program FX This work was supported in part by the Nature Science Foundation of China (NSFC) under grant number 51575016 and 51475007, and a strategic research grant (KZ20141000500, B-type) of Beijing Natural Science Foundation and a Joint Development Research and Development (JDRD) program between University of Tennessee Knoxville and Oak Ridge National Lab (ORNL). This work was also performed in part at Oak Ridge National Laboratory, operated by UT-Battelle for the U.S. Department of Energy under contract no. DE-AC05-00O22725. B.L. acknowledges support from the Laboratory Directed Research and Development program. NR 202 TC 2 Z9 2 U1 9 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 2016 VL 6 IS 79 BP 75916 EP 75936 DI 10.1039/c6ra15897h PG 21 WC Chemistry, Multidisciplinary SC Chemistry GA DT5HS UT WOS:000381513800109 ER PT J AU Levitskaia, TG Chatterjee, S Arey, BW Campbell, EL Hong, YC Kovarik, L Peterson, JM Pence, NK Romero, J Shutthanandan, V Schwenzer, B Varga, T AF Levitskaia, Tatiana G. Chatterjee, Sayandev Arey, Bruce W. Campbell, Emily L. Hong, Yongchun Kovarik, Libor Peterson, James M. Pence, Natasha K. Romero, Jesus Shutthanandan, Vaithialingam Schwenzer, Birgit Varga, Tamas TI RedOx-controlled sorption of iodine anions by hydrotalcite composites SO RSC ADVANCES LA English DT Article ID LAYERED DOUBLE HYDROXIDES; X-RAY PHOTOELECTRON; NICKEL; CLAYS; RAMAN; ION; XPS; ZN; NI; NO3--HYDROTALCITE AB The radioactive contaminant iodine-129 (I-129) is one of the top risk drivers at radiological waste disposal and contaminated groundwater sites where nuclear material fabrication or reprocessing has occurred. However, currently there are very few options available to treat I-129 in the groundwater, partially related to the complex biogeochemical behavior of iodine in the subsurface and occurrence of I-129 in the multiple chemical forms. We hypothesize that layered hydrotalcite materials containing redox active transition metal ions offer a potential solution, benefiting from the simultaneous adsorption of iodate (IO3-), and iodide (I-) anions, which exhibit different electronic and structural properties and therefore may require dissimilar hosts. To test this hypothesis, Cr3+-based materials were selected based on the rationale that Cr3+ readily reduces IO3- in solution. It was combined with either redox-active Co2+ or redox-inactive Ni2+ so that two model materials were prepared by hydrothermal synthesis including Co2+-Cr3+ or Ni2+-Cr3+ (M-Cr). Obtained M-Cr materials composed of Co2+-Cr3+ or Ni2+-Cr3+ layered hydrotalcite and small fractions of Co3O4 spinel or Ni(OH)(2) theophrastite phases were structurally characterized before and after uptake of periodate (IO4-), IO3-, and I- anions. It was found that the IO3- uptake is driven by its chemical reduction to I-2 and I-. Interestingly, in the Co2+-Cr3+ hydrotalcite, Co2+ and not Cr3+ serves as a reductant while in the Ni2+-Cr3+ hydrotalcite Cr3+ is responsible for the reduction of IO3-. A different uptake mechanism was identified for the IO4- anion. The Co2+-Cr3+ hydrotalcite phase efficiently uptakes IO4- by a diffusion-limited ion exchange mechanism and is not accompanied by the redox process, while Cr3+ in the Ni2+-Cr3+ hydrotalcite reduces IO4- to IO3-, I-2 and I-. Iodide exhibited high affinity only to the Co-Cr material. The Co-Cr material performed remarkably well for the removal of IO3-, I- and total iodine from the groundwater collected from the US DOE Hanford site, WA, USA, outperforming non-redox active hydrotalcites (e.g., Mg2+-Al3+) reported previously. This work demonstrates that redox-controlled sorption can be a highly effective method for the treatment of anions based on elements with mobile oxidation states. Further, multiple anions of interest could be simultaneously removed through a combination of approaches. C1 [Levitskaia, Tatiana G.; Chatterjee, Sayandev; Arey, Bruce W.; Campbell, Emily L.; Peterson, James M.; Pence, Natasha K.; Romero, Jesus] Pacific Northwest Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. [Hong, Yongchun; Kovarik, Libor; Shutthanandan, Vaithialingam; Varga, Tamas] Pacific Northwest Natl Lab, Environm & Mol Sci Lab, Richland, WA 99354 USA. [Schwenzer, Birgit] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99354 USA. RP Levitskaia, TG (reprint author), Pacific Northwest Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. EM Tatiana.Levitskaia@pnnl.gov OI Chatterjee, Sayandev/0000-0003-2218-5635 FU U.S. Department of Energy [DE-AC05-76RL01830]; U.S. Department of Energy Richland Operations Office FX This research was supported by (1) the Laboratory Directed Research and Development Program at the Pacific Northwest National Laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830 and (2) the U.S. Department of Energy Richland Operations Office. This manuscript was prepared by the Deep Vadose Zone - Applied Field Research Initiative at Pacific Northwest National Laboratory. Part of this research was performed at EMSL, a national scientific user facility at PNNL managed by the Department of Energy's Office of Biological and Environmental Research. NR 51 TC 0 Z9 0 U1 3 U2 3 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 2016 VL 6 IS 79 BP 76042 EP 76055 DI 10.1039/c6ra13092e PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA DT5HS UT WOS:000381513800121 ER PT S AU Cattaneo, A Marchi, AN Bossert, JA Dumont, JH Gupta, G Mascarenas, DDL AF Cattaneo, Alessandro Marchi, Alexandria N. Bossert, Jason A. Dumont, Joseph H. Gupta, Gautam Mascarenas, David D. L. BE Lynch, JP TI Performance assessment of a remotely readable graphite oxide (GO) based tamper-evident seal SO SENSORS AND SMART STRUCTURES TECHNOLOGIES FOR CIVIL, MECHANICAL, AND AEROSPACE SYSTEMS 2016 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 21-24, 2016 CL Las Vegas, NV SP SPIE, Polytec Inc, OZ Opt Ltd, APS Dynam Inc, TA Electroforce Corp, ElectroForce Syst Grp, Inst Phys, American Elements DE tamper-evident seal; environmental effects; sensing skin; graphite oxide; compressive sampling; embedded-system; encryption/authentication; low-power device ID REDUCED GRAPHENE OXIDE; FILMS; TRANSPARENT; EXFOLIATION AB Tamper-evident seals are commonly used for non-proliferation applications. A properly engineered tamper-evident seal enables the detection of unauthorized access to a protected item or a secured zone. Tamper-evident seals must be susceptible to malicious attacks. These attacks should cause irreversible and detectable damage to the seals. At the same time, tamper-evident seals must demonstrate robustness to environmental changes in order to minimize false-positive and false-negative rates under real operating conditions. The architecture of the tamper-evident seal presented in this paper features a compressive sampling (CS) acquisition scheme, which provides the seal with a means for self-authentication and self-state of health awareness. The CS acquisition scheme is implemented using a micro-controller unit (MCU) and an array of resistors engraved on a graphite oxide (GO) film. CS enables compression and encryption of messages sent from the seal to the remote reader in a non-bit sensitive fashion. As already demonstrated in our previous work through the development of a simulation framework, the CS non-bit sensitive property ensures satisfactory reconstruction of the encrypted messages sent back to the reader when the resistance values of the resistor array are simultaneously affected by modest changes. This work investigates the resistive behavior of the reduced GO film to changes in temperature and humidity when tested in an environmental chamber. The goal is to characterize the humidity and temperature range for reliable operation of a GO-based seal. C1 [Cattaneo, Alessandro; Marchi, Alexandria N.; Mascarenas, David D. L.] Los Alamos Natl Lab, Engn Inst, MS T001,POB 1663, Los Alamos, NM 87544 USA. [Bossert, Jason A.; Dumont, Joseph H.; Gupta, Gautam] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, MS K763,POB 1663, 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. NR 33 TC 0 Z9 0 U1 3 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 978-1-5106-0044-7 J9 PROC SPIE PY 2016 VL 9803 AR UNSP 98030Q DI 10.1117/12.2219498 PG 13 WC Optics; Physics, Applied SC Optics; Physics GA BF5NR UT WOS:000382319400020 ER PT S AU Keller, K Robinson, E Dickstein, L Hahn, HA Cattaneo, A Mascarenas, D AF Keller, Kevin Robinson, Ethan Dickstein, Leah Hahn, Heidi A. Cattaneo, Alessandro Mascarenas, David BE Lynch, JP TI Extending Human Proprioception to Cyber-physical Systems SO SENSORS AND SMART STRUCTURES TECHNOLOGIES FOR CIVIL, MECHANICAL, AND AEROSPACE SYSTEMS 2016 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 21-24, 2016 CL Las Vegas, NV SP SPIE, Polytec Inc, OZ Opt Ltd, APS Dynam Inc, TA Electroforce Corp, ElectroForce Syst Grp, Inst Phys, American Elements DE haptic; sensory substitution; proprioception; human-machine interface; robotic control; human-computer interaction; funneling illusion ID VIBROTACTILE; SUBSTITUTION; PERCEPTION; SKIN AB Despite advances in computational cognition, there are many cyber-physical systems where human supervision and control is desirable. One pertinent example is the control of a robot arm, which can be found in both humanoid and commercial ground robots. Current control mechanisms require the user to look at several screens of varying perspective on the robot, then give commands through a joystick-like mechanism. This control paradigm fails to provide the human operator with an intuitive state feedback, resulting in awkward and slow behavior and underutilization of the robot's physical capabilities. To overcome this bottleneck, we introduce a new human-machine interface that extends the operator's proprioception by exploiting sensory substitution. Humans have a proprioceptive sense that provides us information on how our bodies are configured in space without having to directly observe our appendages. We constructed a wearable device with vibrating actuators on the forearm, where frequency of vibration corresponds to the spatial configuration of a robotic arm. The goal of this interface is to provide a means to communicate proprioceptive information to the teleoperator. Ultimately we will measure the change in performance (time taken to complete the task) achieved by the use of this interface. C1 [Keller, Kevin] North Carolina State Univ, Dept Elect & Comp Engn, Raleigh, NC 27695 USA. [Robinson, Ethan] Virginia Tech, Dept Mech Engn, Coll Engn, Blacksburg, VA 24061 USA. [Dickstein, Leah] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Coll Engn, Berkeley, CA 94720 USA. [Hahn, Heidi A.] Los Alamos Natl Lab, Engn Sci Directorate, Los Alamos, NM 87545 USA. [Cattaneo, Alessandro; Mascarenas, David] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. RP Cattaneo, A (reprint author), Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. NR 25 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 978-1-5106-0044-7 J9 PROC SPIE PY 2016 VL 9803 AR UNSP 980304 DI 10.1117/12.2219534 PG 10 WC Optics; Physics, Applied SC Optics; Physics GA BF5NR UT WOS:000382319400003 ER PT J AU Ingham, B Smialowska, A Erlangga, GD Matia-Merino, L Kirby, NM Wang, C Haverkamp, RG Carr, AJ AF Ingham, B. Smialowska, A. Erlangga, G. D. Matia-Merino, L. Kirby, N. M. Wang, C. Haverkamp, R. G. Carr, A. J. TI Revisiting the interpretation of casein micelle SAXS data SO SOFT MATTER LA English DT Article ID SMALL-ANGLE SCATTERING; AMYLOID FIBRIL FORMATION; COLLOIDAL CALCIUM-PHOSPHATE; PH-INDUCED DISSOCIATION; POWER-LAW APPROACH; X-RAY-SCATTERING; BETA-CASEIN; NEUTRON-SCATTERING; KAPPA-CASEIN; SKIM-MILK AB An in-depth, critical review of model-dependent fitting of small-angle X-ray scattering (SAXS) data of bovine skim milk has led us to develop a new mathematical model for interpreting these data. Calcium-edge resonant soft X-ray scattering data provides unequivocal evidence as to the shape and location of the scattering due to colloidal calcium phosphate, which is manifested as a correlation peak centred at q = 0.035 angstrom(-1). In SAXS data this feature is seldom seen, although most literature studies attribute another feature centred at q = 0.08-0.1 angstrom(-1) to CCP. This work shows that the major SAXS features are due to protein arrangements: the casein micelle itself; internal regions approximately 20 nm in size, separated by water channels; and protein structures which are inhomogeneous on a 1-3 nm length scale. The assignment of these features is consistent with their behaviour under various conditions, including hydration time after reconstitution, addition of EDTA (a Ca-chelating agent), addition of urea, and reduction of pH. C1 [Ingham, B.] Callaghan Innovat, POB 31310, Lower Hutt 5040, New Zealand. [Smialowska, A.; Erlangga, G. D.; Matia-Merino, L.; Carr, A. J.] Massey Univ, Sch Food & Nutr, Private Bag 11222, Palmerston North 4442, New Zealand. [Kirby, N. M.] Australian Synchrotron, 800 Blackburn Rd, Clayton, Vic 3168, Australia. [Wang, C.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Haverkamp, R. G.] Massey Univ, Sch Engn & Adv Technol, Private Bag 11222, Palmerston North 4442, New Zealand. RP Ingham, B (reprint author), Callaghan Innovat, POB 31310, Lower Hutt 5040, New Zealand. EM bridget.ingham@callaghaninnovation.govt.nz RI Haverkamp, Richard/H-1149-2012; Carr, Alistair/S-6016-2016 OI Haverkamp, Richard/0000-0002-3890-7105; Carr, Alistair/0000-0003-4545-3014 FU New Zealand Ministry of Business, Innovation and Employment (MBIE) [C08X1003]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was funded by the New Zealand Ministry of Business, Innovation and Employment (MBIE) under contract C08X1003. Portions of this research were undertaken on the SAXS/WAXS beamline at the Australian Synchrotron, Victoria, Australia, and beamline 11.0.1 at the Advanced Light Source, Berkeley. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 89 TC 0 Z9 0 U1 10 U2 16 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 2016 VL 12 IS 33 BP 6937 EP 6953 DI 10.1039/c6sm01091a PG 17 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA DU3LR UT WOS:000382112800006 PM 27491477 ER PT J AU Shiogama, H Imada, Y Mori, M Mizuta, R Stone, D Yoshida, K Arakawa, O Ikeda, M Takahashi, C Arai, M Ishii, M Watanabe, M Kimoto, M AF Shiogama, Hideo Imada, Yukiko Mori, Masato Mizuta, Ryo Stone, Daithi Yoshida, Kohei Arakawa, Osamu Ikeda, Mikiko Takahashi, Chiharu Arai, Miki Ishii, Masayoshi Watanabe, Masahiro Kimoto, Masahide TI Attributing Historical Changes in Probabilities of Record-Breaking Daily Temperature and Precipitation Extreme Events SO SOLA LA English DT Article ID SEA-SURFACE TEMPERATURE; PART I; 20TH-CENTURY; CLIMATE; WEATHER; TRENDS AB We describe two unprecedented large (100-member), longterm (61-year) ensembles based on MRI-AGCM3.2, which were driven by historical and non-warming climate forcing. These ensembles comprise the "Database for Policy Decision making for Future climate change (d4PDF)". We compare these ensembles to large ensembles based on another climate model, as well as to observed data, to investigate the influence of anthropogenic activities on historical changes in the numbers of record-breaking events, including: the annual coldest daily minimum temperature (TNn), the annual warmest daily maximum temperature (TXx) and the annual most intense daily precipitation event (Rx1day). These two climate model ensembles indicate that human activity has already had statistically significant impacts on the number of record-breaking extreme events worldwide mainly in the Northern Hemisphere land. Specifically, human activities have altered the likelihood that a wider area globally would suffer record-breaking TNn, TXx and Rx1day events than that observed over the 2001-2010 period by a factor of at least 0.6, 5.4 and 1.3, respectively. However, we also find that the estimated spatial patterns and amplitudes of anthropogenic impacts on the probabilities of record-breaking events are sensitive to the climate model and/or natural-world boundary conditions used in the attribution studies. C1 [Shiogama, Hideo] Natl Inst Environm Studies, Ctr Global Environm Res, 16-2 Onogawa, Tsukuba, Ibaraki 3058506, Japan. [Imada, Yukiko; Mizuta, Ryo; Yoshida, Kohei; Ishii, Masayoshi] Meteorol Res Inst, Tsukuba, Ibaraki, Japan. [Takahashi, Chiharu; Arai, Miki; Watanabe, Masahiro; Kimoto, Masahide] Univ Tokyo, Atmosphere & Ocean Res Inst, Kashiwa, Chiba, Japan. [Mori, Masato] Univ Tokyo, Res Ctr Adv Sci & Technol, Tokyo, Japan. [Stone, Daithi] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA USA. [Arakawa, Osamu] Univ Tsukuba, Fac Life & Environm Sci, Tsukuba, Ibaraki, Japan. [Ikeda, Mikiko] Japan Agcy Marine Earth Sci & Technol, Yokohama, Kanagawa, Japan. RP Shiogama, H (reprint author), Natl Inst Environm Studies, Ctr Global Environm Res, 16-2 Onogawa, Tsukuba, Ibaraki 3058506, Japan. EM shiogama.hideo@nies.go.jp RI Shiogama, Hideo/B-9598-2012 OI Shiogama, Hideo/0000-0001-5476-2148 FU Ministry of Education, Culture, Sports, Science and Technology, Japan; US Department of Energy Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX We thank two reviewers for the useful comments. The Earth Simulator was used to run the d4PDF simulations for JAMSTEC's "Strategic Project with Special Support". This study was supported by the Program for Risk Information on Climate Change (SOUSEI) and the Data Integration and Analysis System (DIAS), both of which are sponsored by the Ministry of Education, Culture, Sports, Science and Technology, Japan. The CAM5.1 simulations were supported by the US Department of Energy Office of Science, Office of Biological and Environmental Research, under contract number DE-AC02-05CH11231. NR 36 TC 2 Z9 2 U1 4 U2 4 PU METEOROLOGICAL SOC JAPAN PI TOKYO PA C/O JAPAN METEOROLOGICAL AGENCY 1-3-4 OTE-MACHI, CHIYODA-KU, TOKYO, 100-0004, JAPAN SN 1349-6476 J9 SOLA JI SOLA PY 2016 VL 12 BP 225 EP 231 DI 10.2151/sola.2016-045 PG 7 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DT4DH UT WOS:000381429800017 ER PT J AU Liss, SA Brown, RS Deters, KA Walker, RW Deng, ZD Eppard, MB Townsend, RL Seaburg, AG AF Liss, Stephanie A. Brown, Richard S. Deters, Katherine A. Walker, Ricardo W. Deng, Z. Daniel Eppard, M. Brad Townsend, Richard L. Seaburg, Adam G. TI Mortality, Transmitter Retention, Growth, and Wound Healing in Juvenile Salmon Injected with Micro Acoustic Transmitters SO TRANSACTIONS OF THE AMERICAN FISHERIES SOCIETY LA English DT Article ID CHINOOK SALMON; SWIMMING PERFORMANCE; SUTURE TYPE; SURVIVAL; TAGS; IMPLANTATION; TROUT AB A cylindrical micro acoustic transmitter (AT; weight in air = 0.2 g) has been developed for injection into the peritoneal cavity of fish. Laboratory studies can provide tagging guidelines to minimize the effects of implantation techniques and transmitter burden (transmitter weight expressed as a proportion of fish weight) before use of the AT in field studies. To establish guidelines for minimizing tagging effects, we examined response variables (mortality, transmitter expulsion, growth, and wound healing) for micro AT-injected juvenile Chinook Salmon Oncorhynchus tshawytscha over a wide range of sizes (65-104 mm FL). The overarching goal was to determine a minimum size threshold at which the adverse effects of micro AT injection on fish are minimized. Juveniles (n = 700) were separated into four treatments: (1) AT injection, (2) injection of an AT and a PIT tag (AT+PIT), (3) injection of visible implant elastomer (marked control), and (4) unmarked (true) control. Fish were evaluated once per week for 4 weeks and at the end of the study (60 d posttagging). The AT- and AT+PIT-injected fish experienced greater mortality than marked controls and grew (FL and weight gain) significantly less than marked controls, although no minimum size thresholds were detected. By 60 d posttagging, the transmitter expulsion rate was 44% for AT-injected fish and 20% for AT+PIT-injected fish. However, among the 90-mm and larger fish in the AT treatment, none died or expelled a transmitter. Initial FL significantly affected wound healing for both injection treatments. A size threshold (85.1 mm FL) was identified for AT+PIT-injected fish at 7 d posttagging, indicating that wound areas in fish smaller than 85.1 mm were larger than the wound areas in fish exceeding 85.1 mm. Our results suggest that AT or AT+PIT injection had a greater effect on smaller juvenile Chinook Salmon than on larger fish. C1 [Liss, Stephanie A.; Brown, Richard S.; Deters, Katherine A.; Walker, Ricardo W.; Deng, Z. Daniel] Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. [Walker, Ricardo W.; Eppard, M. Brad] US Army Corps Engineers, Portland Dist, 333 Southwest 1st Ave 200, Portland, OR 97204 USA. [Townsend, Richard L.; Seaburg, Adam G.] Univ Washington, Sch Aquat & Fishery Sci, 1325 Fourth Ave,Suite 1820, Seattle, WA 98101 USA. [Seaburg, Adam G.] Genzyme Corp, 2625 162nd St Southwest, Lynnwood, WA 98087 USA. RP Liss, SA (reprint author), Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM stephanie.liss@pnnl.gov RI Deng, Daniel/A-9536-2011 OI Deng, Daniel/0000-0002-8300-8766 FU U.S. Army Corps of Engineers Portland District FX We thank the U.S. Army Corps of Engineers Portland District for providing the funding for this research. We are also grateful to Leavenworth National Fish Hatchery (U.S. Fish and Wildlife Service) for providing Chinook Salmon eggs; Tim Linley (PNNL) for assistance in fish husbandry and laboratory use; and Makenzie Daniels, Kris Hand, Amanda Hanson, Brian Jeide, Rachelle Johnson, Jina Kim, Ryan Klett, Sadie Montgomery, Brett Pflugraph, Gabrielle Schuler, John Stephenson, and Lauren Stoot (PNNL) for assisting with data collection. NR 32 TC 1 Z9 1 U1 3 U2 3 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0002-8487 EI 1548-8659 J9 T AM FISH SOC JI Trans. Am. Fish. Soc. PY 2016 VL 145 IS 5 BP 1047 EP 1058 DI 10.1080/00028487.2016.1176955 PG 12 WC Fisheries SC Fisheries GA DV2KU UT WOS:000382750200011 ER PT J AU Gao, ZM Daw, CS Smith, DE LeClair, TJ Parks, JE Jones, PT AF Gao, Zhiming Daw, C. Stuart Smith, David E. LeClair, Tim J. Parks, James E., II Jones, Perry T. TI Comparison of Parallel and Series Hybrid Power Trains for Transit Bus Applications SO TRANSPORTATION RESEARCH RECORD LA English DT Article ID EMISSIONS; DIESEL; ENGINE AB The fuel economy and emissions of conventional and hybrid buses equipped with emissions aftertreatment were evaluated via computational simulation for six representative city bus drive cycles. Both series and parallel configurations for the hybrid case were studied. The simulation results indicated that series hybrid buses have the greatest overall advantage in fuel economy. The series and parallel hybrid buses were predicted to produce similar carbon monoxide and hydrocarbon tailpipe emissions but were also predicted to have reduced tailpipe emissions of nitrogen oxides compared with the conventional bus in higher speed cycles. For the New York bus cycle, which has the lowest average speed among the cycles evaluated, the series bus tailpipe emissions were somewhat higher than they were for the conventional bus; the parallel hybrid bus had significantly lower tailpipe emissions. All three bus power trains were found to require periodic active diesel particulate filter regeneration to maintain control of particulate matter. Plug-in operation of series hybrid buses appears to offer significant fuel economy benefits and is easily employed because of the relatively large battery capacity that is typical of the series hybrid configuration. C1 [Gao, Zhiming; Daw, C. Stuart; Smith, David E.; LeClair, Tim J.; Parks, James E., II; Jones, Perry T.] Natl Transportat Res Ctr, Oak Ridge Natl Lab, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. RP Gao, ZM (reprint author), Natl Transportat Res Ctr, Oak Ridge Natl Lab, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. EM gaoz@ornl.gov FU U.S. Department of Energy's Office of Vehicle Technologies FX The U.S. Department of Energy's Office of Vehicle Technologies sponsored this project. The authors thank colleagues for their assistance and suggestions in manuscript preparation and the organizers and reviewers for their time and support. NR 28 TC 0 Z9 0 U1 2 U2 2 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0361-1981 EI 2169-4052 J9 TRANSPORT RES REC JI Transp. Res. Record PY 2016 IS 2570 BP 97 EP 106 DI 10.3141/2570-11 PG 10 WC Engineering, Civil; Transportation; Transportation Science & Technology SC Engineering; Transportation GA DV0HH UT WOS:000382598100012 ER PT S AU Chen, JZ Kumar, VSA Marathe, MV Sundaram, R Thakur, M Thulasidasan, S AF Chen, Jiangzhuo Kumar, V. S. Anil Marathe, Madhav V. Sundaram, Ravi Thakur, Mayur Thulasidasan, Sunil GP IEEE TI A study of the structure and vulnerabilities of metropolitan area networks SO 2016 8TH INTERNATIONAL CONFERENCE ON COMMUNICATION SYSTEMS AND NETWORKS (COMSNETS) SE International Conference on Communication Systems and Networks LA English DT Proceedings Paper CT 8th International Conference on Communication Systems and Networks (COMSNETS) CY JAN 05-10, 2016 CL Bangalore, INDIA ID COMPLEX NETWORKS; POWER LAWS; TOPOLOGIES AB In recent years, there have been numerous geographically localized disruptions in Internet connectivity, as a result of malicious or natural causes. Though Internet-wide vulnerabilities have been studied extensively, the robustness of metropolitan area networks is still not well understood. In this paper, we study structural properties and vulnerabilities in metropolitan area networks, and develop techniques to monitor failures by small detection sets. By combining geolocation techniques with traceroute based measurements, we collect a large data set for 12 of the 25 most populated metropolitan regions in the US. Our analysis reveals that the structure of these paths gives superior insights into the robustness of metropolitan area networks as compared to the topological structure of the graph induced by these paths, which has been traditionally studied. C1 [Chen, Jiangzhuo; Kumar, V. S. Anil; Marathe, Madhav V.] Virginia Tech, Biocomplex Inst, Blacksburg, VA 24061 USA. [Kumar, V. S. Anil; Marathe, Madhav V.] Virginia Tech, Dept Comp Sci, Blacksburg, VA 24061 USA. [Sundaram, Ravi] Northeastern Univ, Coll Comp & Informat Sci, Boston, MA 02115 USA. [Thulasidasan, Sunil] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Chen, JZ (reprint author), Virginia Tech, Biocomplex Inst, Blacksburg, VA 24061 USA. NR 32 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2155-2487 BN 978-1-4673-9622-6 J9 INT CONF COMMUN SYST PY 2016 PG 8 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA BF5LR UT WOS:000382257200071 ER PT S AU Purohit, S Smith, W Chappell, A Stephan, E West, P Lee, B Fox, P AF Purohit, Sumit Smith, William Chappell, Alan Stephan, Eric West, Patrick Lee, Benno Fox, Peter GP IEEE TI Effective Tooling for Linked Data Publishing in Scientific Research SO 2016 IEEE TENTH INTERNATIONAL CONFERENCE ON SEMANTIC COMPUTING (ICSC) SE IEEE International Conference on Semantic Computing LA English DT Proceedings Paper CT 10th IEEE International Conference on Semantic Computing (ICSC) CY FEB 04-06, 2016 CL Laguna Hills, CA SP IEEE, IEEE Comp Soc DE Linked Data Publishing; Semantic Data Curation; Data Publishing Tools; Data Discovery ID BENCHMARK; ACCESS; SYSTEM AB Challenges that make it difficult to find, share, and combine published data, such as data heterogeneity and resource discovery, have led to increased adoption of semantic data standards and data publishing technologies. To make data more accessible, interconnected and discoverable, some domains are being encouraged to publish their data as Linked Data. Consequently, this trend greatly increases the amount of data that semantic web tools are required to process, store, and interconnect. In attempting to process and manipulate large data sets, tools-ranging from simple text editors to modern triplestores-eventually breakdown upon reaching undefined thresholds. This paper shares our experiences in curating metadata, primarily to illustrate the challenges, and resulting limitations that data publishers and consumers have in the current technological environment. This paper also provides a Linked Data based solution to the research problem of resource discovery, and offers a systematic approach that the data publishers can take to select suitable tools to meet their data publishing needs. We present a real-world use case, the Resource Discovery for Extreme Scale Collaboration (RDESC), which features a scientific dataset(maximum size of 1.4 billion triples) used to evaluate a toolbox for data publishing in climate research. This paper also introduces a semantic data publishing software suite developed for the RDESC project. C1 [Purohit, Sumit; Smith, William; Chappell, Alan; Stephan, Eric] Pacific Northwest Natl Lab, Richland, WA 99354 USA. [West, Patrick; Lee, Benno; Fox, Peter] Rensselaer Polytech Inst, Tetherless World Constellat, Troy, NY 12180 USA. RP Purohit, S (reprint author), Pacific Northwest Natl Lab, Richland, WA 99354 USA. EM Sumit.Purohit@pnnl.gov NR 28 TC 0 Z9 0 U1 4 U2 5 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2325-6516 BN 978-1-5090-0662-5 J9 IEEE INT C SEMANT CO PY 2016 BP 24 EP 31 DI 10.1109/ICSC.2016.87 PG 8 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5IO UT WOS:000382051400004 ER PT S AU Purohit, S Paulson, P Rodriguez, L AF Purohit, Sumit Paulson, Patrick Rodriguez, Luke GP IEEE TI User-Centric Approach for Benchmark RDF Data Generator in Big Data Performance Analysis SO 2016 IEEE TENTH INTERNATIONAL CONFERENCE ON SEMANTIC COMPUTING (ICSC) SE IEEE International Conference on Semantic Computing LA English DT Proceedings Paper CT 10th IEEE International Conference on Semantic Computing (ICSC) CY FEB 04-06, 2016 CL Laguna Hills, CA SP IEEE, IEEE Comp Soc DE RDF Data Generator; High Performance Computing Benchmarking; Big Data Tool Usability AB Changes in data generation sources such as social networks, mobile devices, and process automation, along with an increase in the number of instruments generating observational data have pushed beyond the boundaries of current day data analysis systems. New algorithms, specialized hardware systems, and computing paradigms are designed to solve problems exhibited by large datasets, but at the same time there is a dearth of flexible and easy to use tools to assess the effectiveness of these proposed solutions. Benchmarking tools are required to compare the performance and the cost associated with any Big Data system. This research focuses on a user-centric approach of building such tools and proposes a flexible, extensible, and easy to use framework to support performance analysis of Big Data systems. Finally, case studies from two different domains are presented to validate the framework. C1 [Purohit, Sumit; Paulson, Patrick; Rodriguez, Luke] Pacific Northwest Natl Lab, Richland, WA 99354 USA. RP Purohit, S (reprint author), Pacific Northwest Natl Lab, Richland, WA 99354 USA. EM Sumit.Purohit@pnnl.gov NR 7 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2325-6516 BN 978-1-5090-0662-5 J9 IEEE INT C SEMANT CO PY 2016 BP 178 EP 179 DI 10.1109/ICSC.2016.88 PG 2 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5IO UT WOS:000382051400032 ER PT S AU Wang, Z Raval, Y Tzeng, TR Booth, B Flaherty, B Peterson, D Moore, J Rosenmann, D Divan, R Yu, G Wang, P AF Wang, Z. Raval, Y. Tzeng, T. R. Booth, B. Flaherty, B. Peterson, D. Moore, J. Rosenmann, D. Divan, R. Yu, G. Wang, P. GP IEEE TI Time Domain Detection and Differentiation of Single Particles and Cells with a Radio Frequency Interferometer SO 2016 IEEE TOPICAL CONFERENCE ON BIOMEDICAL WIRELESS TECHNOLOGIES, NETWORKS, AND SENSING SYSTEMS (BIOWIRELESS) SE IEEE Topical Conference on Biomedical Wireless Technologies Networks and Sensing Systems LA English DT Proceedings Paper CT IEEE Topical Conference on Biomedical Wireless Technologies, Networks, and Sensing Systems (BioWireleSS) CY JAN 24-27, 2016 CL Austin, TX SP IEEE, IEEE MTT, IEEE APS, IEEE EMB DE Interferometer; dielectric spectroscopy; particles; biological cells ID SPECTROSCOPY; SEPARATION; CYTOMETRY AB We demonstrate effective time domain detection and differentiation of single particles and cells with a simple radio-frequency interferometer. Solutions of particle mixtures (similar to 4 mu m silica and similar to 10 mu m polystyrene) and cell mixtures (viable and non-viable yeast cells, normal and cancer human breast cells, healthy and malaria infected red blood cells) are infused into a microfluidic channel, separately, and measured at similar to 3 GHz in time domain. The results show that individual particles and cells can be effectively detected and differentiated. With better control of cell positions, the interferometer is promising to be an effective tool for single cell based biomedical studies. C1 [Wang, Z.; Wang, P.] Clemson Univ, Dept Elect & Comp Engn, Clemson, SC 29634 USA. [Raval, Y.; Tzeng, T. R.] Clemson Univ, Dept Biol Sci, Clemson, SC 29634 USA. [Booth, B.] Clemson Univ, Inst Biol Interfaces Engn, Clemson, SC 29634 USA. [Flaherty, B.; Peterson, D.; Moore, J.] Univ Georgia, Dept Infect Dis, Athens, GA 30602 USA. [Rosenmann, D.; Divan, R.] Argonne Natl Lab, Lemont, IL 60439 USA. [Yu, G.] Univ Findlay, Dept Phys Sci, Findlay, OH 45840 USA. RP Wang, P (reprint author), Clemson Univ, Dept Elect & Comp Engn, Clemson, SC 29634 USA. EM pwang@clemson.edu NR 19 TC 0 Z9 0 U1 1 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2164-8581 BN 978-1-5090-1694-5 J9 IEEE TOPIC CONF BIOM PY 2016 BP 77 EP 80 PG 4 WC Computer Science, Interdisciplinary Applications; Engineering, Biomedical; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF5AG UT WOS:000381808900022 ER PT S AU Martz, HE Seetho, IM Champley, KM Smith, JA Azevedo, SG AF Martz, Harry E., Jr. Seetho, Isaac M. Champley, Kyle M. Smith, Jerel A. Azevedo, Stephen G. BE Ashok, A Neifeld, MA Gehm, ME TI CT Dual-energy Decomposition into X-ray Signatures rho(e) and Z(e) SO ANOMALY DETECTION AND IMAGING WITH X-RAYS (ADIX) SE Proceedings of SPIE LA English DT Proceedings Paper CT SPIE Anomaly Detection and Imaging with X-Rays (ADIX) Conference CY APR 19-20, 2016 CL Baltimore, MD SP SPIE DE Dual-energy computed tomography; effective atomic number; electron density; x-ray characterization; photoelectric-compton decomposition; system-independent CT ID COMPUTED-TOMOGRAPHY; ATTENUATION; TUBE AB In a recent journal article [IEEE Trans. Nuc. Sci., 63(1), 341-350, 2016], we introduced a novel method that decomposes dual-energy X-ray CT (DECT) data into electron density (rho(e)) and a new effective-atomic-number called Z(e) in pursuit of system-independent characterization of materials The Z(e) of a material, unlike the traditional Z(eff), is defined relative to the actual X-ray absorption properties of the constituent atoms in the material, which are based on published X-ray cross sections. Our DECT method, called SIRZ (System-Independent p(e)/Z(e).), uses a set of well-known reference materials and an understanding of the system spectral response to produce accurate and precise estimates of the X-ray-relevant basis variables (rho(e), Z(e)) regardless of scanner or spectra in diagnostic energy ranges (30 to 200 keV). Potentially, SIRZ can account for and correct spectral changes in a scanner over time and, because the system spectral response is included in the technique, additional beam-hardening correction is not needed. Results show accuracy errors (<3%) and precision errors (<2%) that are much better than prior methods on a wide range of spectra. In this paper, we will describe how to convert DECT system output into (rho(e), Z(e)) features and we present our latest SIRZ results compared with ground truth for a set of materials. C1 [Martz, Harry E., Jr.; Seetho, Isaac M.; Champley, Kyle M.; Smith, Jerel A.; Azevedo, Stephen G.] Lawrence Livermore Natl Lab, POB 808,L-154, Livermore, CA 94551 USA. RP Martz, HE (reprint author), Lawrence Livermore Natl Lab, POB 808,L-154, Livermore, CA 94551 USA. NR 20 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 978-1-5106-0088-1 J9 PROC SPIE PY 2016 VL 9847 AR UNSP 98470D DI 10.1117/12.2228954 PG 8 WC Optics; Imaging Science & Photographic Technology SC Optics; Imaging Science & Photographic Technology GA BF5NP UT WOS:000382316600008 ER PT J AU Jensen, MP Holdridge, DJ Survo, P Lehtinen, R Baxter, S Toto, T Johnson, KL AF Jensen, Michael P. Holdridge, Donna J. Survo, Petteri Lehtinen, Raisa Baxter, Shannon Toto, Tami Johnson, Karen L. TI Comparison of Vaisala radiosondes RS41 and RS92 at the ARM Southern Great Plains site SO ATMOSPHERIC MEASUREMENT TECHNIQUES LA English DT Article ID RADIATION MEASUREMENT PROGRAM; PRECIPITABLE WATER-VAPOR; ATMOSPHERIC RADIATION; DRY BIAS; MICROWAVE RADIOMETERS; DATA PRODUCTS; CLIMATE; CLOUD; GPS; RETRIEVALS AB In the fall of 2013, the Vaisala RS41 (fourth generation) radiosonde was introduced as a replacement for the RS92-SGP radiosonde with improvements in measurement accuracy of profiles of atmospheric temperature, humidity, and pressure. In order to help characterize these improvements, an intercomparison campaign was undertaken at the US Department of Energy's Atmospheric Radiation Measurement (ARM) Climate Research Facility site in north-central Oklahoma, USA. During 3-8 June 2014, a total of 20 twin-radiosonde flights were performed in a variety of atmospheric conditions representing typical midlatitude continental summertime conditions. The results show that for most of the observed conditions the RS92 and RS41 measurements agree much better than the manufacturer-specified combined uncertainties with notable exceptions when exiting liquid cloud layers where the "wet-bulbing" effect appears to be mitigated for several cases in the RS41 observations. The RS41 measurements of temperature and humidity, with applied correction algorithms, also appear to show less sensitivity to solar heating. These results suggest that the RS41 does provide important improvements, particularly in cloudy conditions. For many science applications - such as atmospheric process studies, retrieval development, and weather forecasting and climate modeling - the differences between the RS92 and RS41 measurements should have little impact. However, for long-term trend analysis and other climate applications, additional characterization of the RS41 measurements and their relation to the long-term observational records will be required. C1 [Jensen, Michael P.; Baxter, Shannon; Toto, Tami; Johnson, Karen L.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Holdridge, Donna J.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Survo, Petteri; Lehtinen, Raisa] Vaisala Oyj, Helsinki, Finland. [Baxter, Shannon] SUNY Coll Geneseo, Geneseo, NY 14454 USA. RP Jensen, MP (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM mjensen@bnl.gov FU DOE ARM program; DOE, Office of Science; Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergaduate Laboratory Internship (SULI) Program; US Department of Energy, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Sciences Division FX Participation by M. Jensen, D. Holdridge, T. Toto, and K. Johnson was funded by the DOE ARM program. S. Baxter was supported by the DOE, Office of Science, and Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergaduate Laboratory Internship (SULI) Program. Data were obtained from the ARM program sponsored by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Sciences Division. The DOE ARM program provided RS92 radiosondes, balloons, unwinders, and parachutes. We thank David Turner (NSSL) for discussion regarding PWV measurements from the MWR and radiosondes. We would also like to acknowledge the technical support from ARM SGP Central Facility operations staff, logistical support from the BNL Office of Educational Programs, and support in campaign arrangements from Vaisala. NR 64 TC 0 Z9 0 U1 4 U2 4 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 2016 VL 9 IS 7 BP 3115 EP 3129 DI 10.5194/amt-9-3115-2016 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DS9HQ UT WOS:000381094100009 ER PT J AU Wang, WL Rinke, A Moore, JC Ji, DY Cui, XF Peng, SS Lawrence, DM McGuire, AD Burke, EJ Chen, XD Decharme, B Koven, C MacDougall, A Saito, K Zhang, WX Alkama, R Bohn, TJ Ciais, P Delire, C Gouttevin, I Hajima, T Krinner, G Lettenmaier, DP Miller, PA Smith, B Sueyoshi, T Sherstiukov, AB AF Wang, Wenli Rinke, Annette Moore, John C. Ji, Duoying Cui, Xuefeng Peng, Shushi Lawrence, David M. McGuire, A. David Burke, Eleanor J. Chen, Xiaodong Decharme, Bertrand Koven, Charles MacDougall, Andrew Saito, Kazuyuki Zhang, Wenxin Alkama, Ramdane Bohn, Theodore J. Ciais, Philippe Delire, Christine Gouttevin, Isabelle Hajima, Tomohiro Krinner, Gerhard Lettenmaier, Dennis P. Miller, Paul A. Smith, Benjamin Sueyoshi, Tetsuo Sherstiukov, Artem B. TI Evaluation of air-soil temperature relationships simulated by land surface models during winter across the permafrost region SO CRYOSPHERE LA English DT Article ID GROUND THERMAL REGIME; SNOW WATER EQUIVALENT; EARTH SYSTEM MODEL; CLIMATE MODEL; ALPINE SITE; COVER; SCHEME; ENERGY; DEPTH; PARAMETERIZATION AB A realistic simulation of snow cover and its thermal properties are important for accurate modelling of permafrost. We analyse simulated relationships between air and near-surface (20 cm) soil temperatures in the Northern Hemisphere permafrost region during winter, with a particular focus on snow insulation effects in nine land surface models, and compare them with observations from 268 Russian stations. There are large cross-model differences in the simulated differences between near-surface soil and air temperatures (Delta T; 3 to 14 degrees C), in the sensitivity of soil-to-air temperature (0.13 to 0.96 degrees C degrees C-1), and in the relationship between Delta T and snow depth. The observed relationship between Delta T and snow depth can be used as a metric to evaluate the effects of each model's representation of snow insulation, hence guide improvements to the model's conceptual structure and process parameterisations. Models with better performance apply multilayer snow schemes and consider complex snow processes. Some models show poor performance in representing snow insulation due to underestimation of snow depth and/or overestimation of snow conductivity. Generally, models identified as most acceptable with respect to snow insulation simulate reasonable areas of near-surface permafrost (13.19 to 15.77 million km(2)). However, there is not a simple relationship between the sophistication of the snow insulation in the acceptable models and the simulated area of Northern Hemisphere near-surface permafrost, because several other factors, such as soil depth used in the models, the treatment of soil organic matter content, hydrology and vegetation cover, also affect the simulated permafrost distribution. C1 [Wang, Wenli; Rinke, Annette; Moore, John C.; Ji, Duoying] Beijing Normal Univ, Coll Global Change & Earth Syst Sci, Beijing, Peoples R China. [Rinke, Annette] Helmholtz Ctr Polar & Marine Res AWI, Alfred Wegener Inst, Potsdam, Germany. [Cui, Xuefeng] Beijing Normal Univ, Sch Syst Sci, Beijing, Peoples R China. [Peng, Shushi; Gouttevin, Isabelle; Krinner, Gerhard] French Natl Ctr Sci Res, Lab Glaciol, Grenoble, France. [Lawrence, David M.] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. [McGuire, A. David] Univ Alaska Fairbanks, Alaska Cooperat Fish & Wildlife Res Unit, US Geol Survey, Fairbanks, AK USA. [Burke, Eleanor J.] Met Off Hadley Ctr, Exeter, Devon, England. [Bohn, Theodore J.; Lettenmaier, Dennis P.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ USA. [Decharme, Bertrand; Alkama, Ramdane; Delire, Christine] Unite Mixte Rech CNRS Meteofrance, Grp Etud Atmosphere Meteorol, Toulouse, France. [Koven, Charles] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [MacDougall, Andrew] Univ Victoria, Sch Earth & Ocean Sci, Victoria, BC, Canada. [Saito, Kazuyuki; Hajima, Tomohiro] Japan Agcy Marine Earth Sci & Technol, Yokohama, Kanagawa, Japan. [Zhang, Wenxin; Miller, Paul A.; Smith, Benjamin] Lund Univ, Dept Phys Geog & Ecosyst Sci, Lund, Sweden. [Sueyoshi, Tetsuo] Natl Inst Polar Res, Tachikawa, Tokyo, Japan. [Saito, Kazuyuki] Univ Alaska Fairbanks, Fairbanks, AK USA. [Alkama, Ramdane] IES, Ispra, Italy. [Peng, Shushi; Krinner, Gerhard] Univ Grenoble Alpes, LGGE, Grenoble, France. [Peng, Shushi; Ciais, Philippe] Univ Versailles St Quentin En Yvelines, French Natl Ctr Sci Res, French Alternat Energies & Atom Energy Commiss, Climate & Environm Sci Lab, Saclay, France. [Zhang, Wenxin] Univ Copenhagen, Dept Geosci & Nat Resource Management, Ctr Permafrost CENPERM, Copenhagen, Denmark. [Sherstiukov, Artem B.] All Russian Res Inst Hydrometeorol Informat, World Data Ctr, Obninsk, Russia. [Chen, Xiaodong] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA. RP Ji, DY (reprint author), Beijing Normal Univ, Coll Global Change & Earth Syst Sci, Beijing, Peoples R China. EM duoyingji@bnu.edu.cn RI Krinner, Gerhard/A-6450-2011; Smith, Benjamin/I-1212-2016; Moore, John/B-2868-2013; Koven, Charles/N-8888-2014; OI Krinner, Gerhard/0000-0002-2959-5920; Smith, Benjamin/0000-0002-6987-5337; Moore, John/0000-0001-8271-5787; Koven, Charles/0000-0002-3367-0065; Rinke, Annette/0000-0002-6685-9219 FU Permafrost Carbon Vulnerability Research Coordination Network - US National Science Foundation (NSF); Joint UK DECC/Defra Met Office Hadley Centre Climate Program [GA01101]; European Union [282700]; NSF [1216037]; French Agence Nationale de la Recherche [ANR-10-CEPL-012-03]; integrated approaches and impacts, China Global Change Program (973 Project), National Basic Research Program of China [2015CB953602]; National Natural Science Foundation of China [40905047] FX This study was supported by the Permafrost Carbon Vulnerability Research Coordination Network, which is funded by the US National Science Foundation (NSF). Any use of trade, firm, or product names is for descriptive purposes only and does not imply endorsement by the US Government. Eleanor J. Burke was supported by the Joint UK DECC/Defra Met Office Hadley Centre Climate Program (GA01101). Eleanor J. Burke, Shushi Peng, Philippe Ciais and Gerhard Krinner were supported by the European Union Seventh Framework Program (FP7/2007-2013) under grant agreement no. 282700. Theodore J. Bohn was supported by grant 1216037 from the NSF Science, Engineering and Education for Sustainability (SEES) Post-Doctoral Fellowship program. Bertrand Decharme, Ramdane Alkama and Christine Delire were supported by the French Agence Nationale de la Recherche under agreement ANR-10-CEPL-012-03. This research was sponsored by the integrated approaches and impacts, China Global Change Program (973 Project), National Basic Research Program of China Grant 2015CB953602 and the National Natural Science Foundation of China Grant 40905047. We also thank the editor and reviewers for their comments which improved the manuscript. NR 69 TC 1 Z9 1 U1 5 U2 7 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1994-0416 EI 1994-0424 J9 CRYOSPHERE JI Cryosphere PY 2016 VL 10 IS 4 BP 1721 EP 1737 DI 10.5194/tc-10-1721-2016 PG 17 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA DT1BZ UT WOS:000381218000015 ER PT J AU Karp, EM Nimlos, CT Deutch, S Salvachua, D Cywar, RM Beckham, GT AF Karp, Eric M. Nimlos, Claire T. Deutch, Steve Salvachua, Davinia Cywar, Robin M. Beckham, Gregg T. TI Quantification of acidic compounds in complex biomass-derived streams SO GREEN CHEMISTRY LA English DT Article ID KRAFT BLACK LIQUORS; MOVING BOUNDARY ELECTROPHORESIS; GAS-LIQUID-CHROMATOGRAPHY; CHANNEL CURRENT DETECTION; CARBOXYLIC-ACIDS; GLC-MS; CAPILLARY-ELECTROPHORESIS; MASS-SPECTROMETRY; INORGANIC ANIONS; PULPING LIQUORS AB Biomass-derived streams that contain acidic compounds from the degradation of lignin and polysaccharides (e.g. black liquor, pyrolysis oil, pyrolytic lignin, etc.) are chemically complex solutions prone to instability and degradation during analysis, making quantification of compounds within them challenging. Here we present a robust analytical method to quantify acidic compounds in complex biomass-derived mixtures using ion exchange, sample reconstitution in pyridine and derivatization with BSTFA. The procedure is based on an earlier method originally reported for kraft black liquors and, in this work, is applied to identify and quantify a large slate of acidic compounds in corn stover derived alkaline pretreatment liquor (APL) as a function of pretreatment severity. Analysis of the samples is conducted with GCxGC-TOFMS to achieve good resolution of the components within the complex mixture. The results reveal the dominant low molecular weight components and their concentrations as a function of pretreatment severity. Application of this method is also demonstrated in the context of lignin conversion technologies by applying it to track the microbial conversion of an APL substrate. Here too excellent results are achieved, and the appearance and disappearance of compounds is observed in agreement with the known metabolic pathways of two bacteria, indicating the sample integrity was maintained throughout analysis. Finally, it is shown that this method applies more generally to lignin-rich materials by demonstrating its usefulness in analysis of pyrolysis oil and pyrolytic lignin. C1 [Karp, Eric M.; Nimlos, Claire T.; Deutch, Steve; Salvachua, Davinia; Cywar, Robin M.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM Gregg.Beckham@nrel.gov FU US Department of Energy BioEnergy Technologies Office FX We thank the US Department of Energy BioEnergy Technologies Office for funding this work. The U.S. Government retains and the publisher, by accepting the article for publication, acknowledges that the U.S. Government retains a nonexclusive, paid up, irrevocable, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for U.S. Government purposes. We also thank Jack Ferrell for providing the pyrolysis oil sample used in this work and Matt Munson for providing detailed information on gradient elution moving boundary electrophoresis. NR 53 TC 1 Z9 1 U1 2 U2 2 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 2016 VL 18 IS 17 BP 4750 EP 4760 DI 10.1039/c6gc00868b PG 11 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA DU2FN UT WOS:000382026600018 ER PT J AU Bao, F Cao, YZ Webster, C Zhang, GN AF Bao, Feng Cao, Yanzhao Webster, Clayton Zhang, Guannan TI AN EFFICIENT MESH-FREE IMPLICIT FILTER FOR NONLINEAR FILTERING PROBLEMS SO INTERNATIONAL JOURNAL FOR UNCERTAINTY QUANTIFICATION LA English DT Article DE nonlinear filtering; implicit algorithm; mesh-free approximation; Shepard's method ID PARTICLE FILTERS; KALMAN FILTER AB In this paper, we propose a mesh-free approximation method for the implicit filter developed in Bao et al., Commun. Comput. Phys., 16(2): 382-402, 2014, which is a novel numerical algorithm for nonlinear filtering problems. The implicit filter approximates conditional distributions in the optimal filter over a deterministic state space grid and is developed from samples of the current state obtained by solving the state equation implicitly. The purpose of the mesh-free approximation is to improve the efficiency of the implicit filter in moderately high-dimensional problems. The construction of the algorithm includes generation of random state space points and a mesh-free interpolation method. Numerical experiments show the effectiveness and efficiency of our algorithm. C1 [Bao, Feng; Webster, Clayton; Zhang, Guannan] Oak Ridge Natl Lab, Dept Computat & Appl Math, One Bethel Valley Rd,POB 2008,MS-6164, Oak Ridge, TN 37831 USA. [Cao, Yanzhao] Auburn Univ, Dept Math & Stat, Auburn, AL 36849 USA. RP Bao, F (reprint author), Oak Ridge Natl Lab, Dept Computat & Appl Math, One Bethel Valley Rd,POB 2008,MS-6164, Oak Ridge, TN 37831 USA. EM baof@ornl.gov OI Zhang, Guannan/0000-0001-7256-150X NR 23 TC 0 Z9 0 U1 0 U2 0 PU BEGELL HOUSE INC PI DANBURY PA 50 NORTH ST, DANBURY, CT 06810 USA SN 2152-5080 EI 2152-5099 J9 INT J UNCERTAIN QUAN JI Int. J. Uncertain. Quantif. PY 2016 VL 6 IS 1 BP 19 EP 33 DI 10.1615/Int.J.UncertaintyQuantification.2016013870 PG 15 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA DU5OY UT WOS:000382262400002 ER PT J AU Piernavieja-Hermida, M Lu, Z White, A Low, KB Wu, TP Elam, JW Wu, ZL Lei, Y AF Piernavieja-Hermida, Mar Lu, Zheng White, Anderson Low, Ke-Bin Wu, Tianpin Elam, Jeffrey W. Wu, Zili Lei, Yu TI Towards ALD thin film stabilized single-atom Pd-1 catalysts SO NANOSCALE LA English DT Article ID DIRECT PROPYLENE EPOXIDATION; WATER-GAS SHIFT; LAYER DEPOSITION; CO OXIDATION; CARBON-MONOXIDE; TITANIUM-DIOXIDE; IN-SITU; SIZE; PALLADIUM; CLUSTERS AB Supported precious metal single-atom catalysts have shown interesting activity and selectivity in recent studies. However, agglomeration of these highly mobile mononuclear surface species can eliminate their unique catalytic properties. Here we study a strategy for synthesizing thin film stabilized single-atom Pd-1 catalysts using atomic layer deposition (ALD). The thermal stability of the Pd-1 catalysts is significantly enhanced by creating a nanocavity thin film structure. In situ infrared spectroscopy and Pd K-edge X-ray absorption spectroscopy (XAS) revealed that the Pd-1 was anchored on the surface through chlorine sites. The thin film stabilized Pd-1 catalysts were thermally stable under both oxidation and reduction conditions. The catalytic performance in the methanol decomposition reaction is found to depend on the thickness of protecting layers. While Pd-1 catalysts showed promising activity at low temperature in a methanol decomposition reaction, 14 cycle TiO2 protected Pd-1 was less active at high temperature. Pd L-3 edge XAS indicated that the low reactivity compared with Pd nanoparticles is due to the strong adsorption of carbon monoxide even at 250 degrees C. These results clearly show that the ALD nanocavities provide a basis for future design of single-atom catalysts that are highly efficient and stable. C1 [Piernavieja-Hermida, Mar; Lu, Zheng; White, Anderson; Lei, Yu] Univ Alabama, Dept Chem & Mat Engn, Huntsville, AL 35899 USA. [Low, Ke-Bin] Univ Illinois, Res Resources Ctr, Chicago, IL 60607 USA. [Wu, Tianpin] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. [Wu, Zili] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Wu, Zili] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Lei, Y (reprint author), Univ Alabama, Dept Chem & Mat Engn, Huntsville, AL 35899 USA. EM yu.lei@uah.edu RI BM, MRCAT/G-7576-2011 FU National Science Foundation [CBET-1511820]; Ralph E. Junior Faculty Enhancement Award from Oak Ridge Associated Universities; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy; MRCAT member institutions FX We gratefully acknowledge support from the National Science Foundation (CBET-1511820) and Ralph E. Junior Faculty Enhancement Award from Oak Ridge Associated Universities. Part of the work including the methanol decomposition reaction and in situ DRIFTS study was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. 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 52 TC 0 Z9 0 U1 35 U2 41 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 2016 VL 8 IS 33 BP 15348 EP 15356 DI 10.1039/c6nr04403d PG 9 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA DU2VA UT WOS:000382068000031 PM 27506249 ER PT S AU Benioff, P AF Benioff, Paul BE Donkor, E Hayduk, M TI Effects of number scaling on entangled states in quantum mechanics SO QUANTUM INFORMATION AND COMPUTATION IX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Quantum Information and Computation IX CY APR 20-21, 2016 CL Baltimore, MD SP SPIE DE number structure scaling; fiber bundles; entangled states ID FIBER-BUNDLES AB A summary of number structure scaling is followed by a description of the effects of number scaling in nonrelativistic quantum mechanics. The description extends earlier work to include the effects on the states of two or more interacting particles. Emphasis is placed on the effects on entangled states. The resulting scaling field is generalized to describe the effects on these states. It is also seen that one can use fiber bundles with fibers associated with single locations of the underlying space to describe the effects of scaling on arbitrary numbers of particles. C1 [Benioff, Paul] 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 18 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 978-1-5106-0114-7 J9 PROC SPIE PY 2016 VL 9873 AR 98730D DI 10.1117/12.2221958 PG 16 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BF4TN UT WOS:000381692900009 ER PT S AU Dasari, VR Sadlier, RJ Prout, R Williams, BP Humble, TS AF Dasari, Venkat R. Sadlier, Ronald J. Prout, Ryan Williams, Brian P. Humble, Travis S. BE Donkor, E Hayduk, M TI Programmable Multi-Node Quantum Network Design and Simulation SO QUANTUM INFORMATION AND COMPUTATION IX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Quantum Information and Computation IX CY APR 20-21, 2016 CL Baltimore, MD SP SPIE DE Quantum communication; quantum networking; programmable networks AB Software-defined networking offers a device-agnostic programmable framework to encode new network functions. Externally centralized control plane intelligence allows programmers to write network applications and to build functional network designs. OpenFlow is a key protocol widely adopted to build programmable networks because of its programmability, flexibility and ability to interconnect heterogeneous network devices. We simulate the functional topology of a multi-node quantum network that uses programmable network principles to manage quantum metadata for protocols such as teleportation, superdense coding, and quantum key distribution. We first show how the OpenFlow protocol can manage the quantum metadata needed to control the quantum channel. We then use numerical simulation to demonstrate robust programmability of a quantum switch via the OpenFlow network controller while executing an application of superdense coding. We describe the software framework implemented to carry out these simulations and we discuss near-term efforts to realize these applications. C1 [Dasari, Venkat R.] US Army Res Lab, Aberdeen Proving Ground, MD USA. [Sadlier, Ronald J.; Prout, Ryan; Williams, Brian P.; Humble, Travis S.] Oak Ridge Natl Lab, Quantum Comp Inst, Oak Ridge, TN USA. RP Dasari, VR (reprint author), US Army Res Lab, Aberdeen Proving Ground, MD USA. EM venkateswara.r.dasari.civ@mail.mil; humblets@ornl.gov OI Sadlier, Ronald/0000-0003-2922-1125 NR 14 TC 1 Z9 1 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 978-1-5106-0114-7 J9 PROC SPIE PY 2016 VL 9873 AR UNSP 98730B DI 10.1117/12.2234697 PG 9 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BF4TN UT WOS:000381692900008 ER PT J AU Zhan, L He, JL Wang, WP Zheng, XL Cao, YY Yin, J Kong, LJ Zou, Q Bhutto, WA Chen, XH Li, SP Wu, ZM Kang, JY AF Zhan, Li He, Jialun Wang, Weiping Zheng, Xuanli Cao, Yiyan Yin, Jun Kong, Lijing Zou, Qiang Bhutto, Waseem Ahmed Chen, Xiaohong Li, Shuping Wu, Zhiming Kang, Junyong TI Optimized design of multi-shell ZnO/TiO2/ZnSe nanowires decorated with Ag nanoparticles for photocatalytic applications SO RSC ADVANCES LA English DT Article ID VISIBLE-LIGHT IRRADIATION; TITANIUM-OXIDE PHOTOCATALYSTS; ENHANCED RAMAN-SCATTERING; SENSITIZED SOLAR-CELLS; TIO2-BASED PHOTOCATALYSTS; TIO2 PHOTOCATALYSIS; NANOROD ARRAYS; PERFORMANCE; DEGRADATION; HETEROSTRUCTURES AB Composite nanomaterials consisting of semiconductor sensitizers and noble metal nanoparticles (NPs) exhibit great potential for high-efficiency photocatalytic applications. However, the differences in structure can significantly affect the light utilization efficiency and photocatalytic performance. In this study, we report the structural design of multi-shell coaxial nanowires (NWs) for their applications in photocatalytic degradation. Two types of multi-shell coaxial NWs, namely, ZnO/TiO2/ZnSe/Ag(NPs) and ZnO/TiO2/Ag(NPs)/ZnSe NWs, were successfully fabricated. Experimental and theoretical results revealed that surface structures and the position of Ag NPs in coaxial NWs significantly influenced the intensity of localized surface plasmon resonance, light absorption, and photocatalytic performance. The photocatalytic activity of the ZnO/TiO2/Ag(NPs)/ZnSe NWs was significantly enhanced under UV and visible light irradiation compared with that of the ZnO/TiO2/ZnSe/Ag(NPs) NWs. The improved performance was explained by electron transfer models combined with band structure alignment. Furthermore, an optimal NW structure was proposed on the basis of the analysis of photocatalytic mechanisms. This study provides guidance to the design of composite materials for high-efficiency photocatalytic applications. C1 [Zhan, Li; He, Jialun; Wang, Weiping; Zheng, Xuanli; Cao, Yiyan; Yin, Jun; Kong, Lijing; Bhutto, Waseem Ahmed; Chen, Xiaohong; Li, Shuping; Wu, Zhiming; Kang, Junyong] Xiamen Univ, Fujian Prov Key Lab Semicond & Applicat, Collaborat Innovat Ctr Optoelect Semicond & Effic, Dept Phys, Xiamen 361005, Peoples R China. [Zou, Qiang; Wu, Zhiming] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Kong, LJ; Wu, ZM (reprint author), Xiamen Univ, Fujian Prov Key Lab Semicond & Applicat, Collaborat Innovat Ctr Optoelect Semicond & Effic, Dept Phys, Xiamen 361005, Peoples R China.; Wu, ZM (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM lijing-k@xmu.edu.cn; zmwu@xmu.edu.cn; lijing-k@xmu.edu.cn OI Zou, Qiang/0000-0002-0912-6895 FU "973" Program [2012CB619301]; National Natural Science Foundation of China [61227009]; Natural Science Foundation of Fujian Province of China [2015J01028]; Fundamental Research Funds for the Central Universities [20720150027, 20720160044, 20720150033] FX The work was supported by the "973" Program (2012CB619301), the National Natural Science Foundation of China (61227009), the Natural Science Foundation of Fujian Province of China (2015J01028), and the Fundamental Research Funds for the Central Universities (20720150027, 20720160044 and 20720150033). NR 39 TC 0 Z9 0 U1 22 U2 24 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2046-2069 J9 RSC ADV JI RSC Adv. PY 2016 VL 6 IS 75 BP 71800 EP 71806 DI 10.1039/c6ra06886c PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA DT5HN UT WOS:000381513100124 ER PT J AU Doyle, JE AF Doyle, James E. TI Better Ways to Modernise the US Nuclear Arsenal SO SURVIVAL LA English DT Article AB America's flawed plans for nuclear modernisation have placed the United States on a path towards renewed Cold War overkill. C1 [Doyle, James E.] Los Alamos Natl Lab, Nucl Nonproliferat Div, Los Alamos, NM 87545 USA. [Doyle, James E.] Ploughshares Fund, San Francisco, CA 94101 USA. RP Doyle, JE (reprint author), Los Alamos Natl Lab, Nucl Nonproliferat Div, Los Alamos, NM 87545 USA.; Doyle, JE (reprint author), Ploughshares Fund, San Francisco, CA 94101 USA. NR 44 TC 0 Z9 0 U1 0 U2 0 PU ROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0039-6338 EI 1468-2699 J9 SURVIVAL JI Survival PY 2016 VL 58 IS 4 BP 27 EP 50 DI 10.1080/00396338.2016.1207946 PG 24 WC International Relations; Political Science SC International Relations; Government & Law GA DT3IL UT WOS:000381374300002 ER PT S AU Bolton, DR Briceno, RA Wilson, DJ AF Bolton, Daniel R. Briceno, Raul A. Wilson, David J. BE Pennington, MR TI From QCD to Physical Resonances SO XVITH INTERNATIONAL CONFERENCE ON HADRON SPECTROSCOPY (HADRON2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 16th International Conference on Hadron Spectroscopy (HADRON) CY SEP 13-18, 2015 CL Newport News, VA ID CHIRAL PERTURBATION-THEORY; PI-PI SCATTERING; FINITE-VOLUME; STATES; MESON; LATTICE AB In this talk, we present the first chiral extrapolation of a resonant scattering amplitude obtained from lattice QCD. Finite-volume spectra, determined by the Hadron Spectrum Collaboration at m(pi) = 236 MeV [1], for the isotriplet pi pi channel are analyzed using the Luscher method to determine the infinite-volume scattering amplitude. Unitarized Chiral Perturbation Theory is then used to extrapolate the scattering amplitude to the physical light quark masses. The viability of this procedure is demonstrated by its agreement with the experimentally determined scattering phase shift up to center-of-mass energies of 1.2 GeV. Finally, we analytically continue the amplitude to the complex plane to obtain the rho-pole at [755(2)(1)( [GRAPHICS] ) - i/2 129(3)(1)( [GRAPHICS] )] MeV. C1 [Bolton, Daniel R.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Bolton, Daniel R.] Baylor Univ, Dept Phys, Waco, TX 76798 USA. [Briceno, Raul A.] Thomas Jefferson Natl Accelerator Facil, 12000 Jefferson Ave, Newport News, VA 23606 USA. [Briceno, Raul A.] Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. [Wilson, David J.] Univ Cambridge, Ctr Math Sci, Dept Appl Math & Theoret Phys, Wilberforce Rd, Cambridge CB3 0WA, England. RP Bolton, DR (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA.; Bolton, DR (reprint author), Baylor Univ, Dept Phys, Waco, TX 76798 USA. EM daniel.bolton@colorado.edu NR 60 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 978-0-7354-1389-4 J9 AIP CONF PROC PY 2016 VL 1735 AR UNSP 030011 DI 10.1063/1.4949394 PG 6 WC Physics, Nuclear; Physics, Particles & Fields; Spectroscopy SC Physics; Spectroscopy GA BF4FI UT WOS:000380815900026 ER PT S AU Carman, DS AF Carman, Daniel S. CA CLAS Collaboration BE Pennington, MR TI Excited Baryon Structure Using Exclusive Reactions with CLAS12 SO XVITH INTERNATIONAL CONFERENCE ON HADRON SPECTROSCOPY (HADRON2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 16th International Conference on Hadron Spectroscopy (HADRON) CY SEP 13-18, 2015 CL Newport News, VA ID QUARK-MODEL; ELECTROPRODUCTION; PROTON AB Studying excited nucleon structure through exclusive electroproduction reactions is an important avenue for exploring the nature of the non-perturbative strong interaction. Electrocouplings for N* states in the mass range below 1.8 GeV have been determined from analyses of CLAS pi N, eta N, and pi pi N data. This work made it clear that consistency of independent analyses of exclusive channels with different couplings and non-resonant backgrounds but the same N* electro-excitation amplitudes, is essential to have confidence in the extracted results. In terms of hadronic coupling, many high-lying N* states preferentially decay through the pi pi N channel instead of pi N. Data from the KY channels will therefore be critical to provide an independent analysis with which to compare the extracted electrocouplings for the high-lying N* states against those determined from the pi N and pi pi N channels. A program to study excited N* decays to non-strange and strange exclusive final states using CLAS12 will measure differential cross sections to be used as input to extract the gamma nu NN* transition form factors for the most prominent N* states in the range of invariant energy W up 3 GeV in the virtually unexplored domain of momentum transfers Q(2) up to 12 GeV2. C1 [Carman, Daniel S.; CLAS Collaboration] Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA. RP Carman, DS (reprint author), Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA. EM carman@jlab.org NR 26 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 978-0-7354-1389-4 J9 AIP CONF PROC PY 2016 VL 1735 DI 10.1063/1.4949417 PG 6 WC Physics, Nuclear; Physics, Particles & Fields; Spectroscopy SC Physics; Spectroscopy GA BF4FI UT WOS:000380815900049 ER PT S AU Dudek, JJ AF Dudek, Jozef J. BE Pennington, MR TI Hadron Scattering and Resonances in QCD SO XVITH INTERNATIONAL CONFERENCE ON HADRON SPECTROSCOPY (HADRON2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 16th International Conference on Hadron Spectroscopy (HADRON) CY SEP 13-18, 2015 CL Newport News, VA ID FINITE-VOLUME; LATTICE; STATES; MATRIX AB I describe how hadron-hadron scattering amplitudes are related to the eigenstates of QCD in a finite cubic volume. The discrete spectrum of such eigenstates can be determined from correlation functions computed using lattice QCD, and the corresponding scattering amplitudes extracted. I review results from the Hadron Spectrum Collaboration who have used these finite volume methods to study pi pi elastic scattering, including the rho resonance, as well as coupled-channel pi K, eta K scattering. Ongoing calculations are advertised and the outlook for finite volume approaches is presented. C1 [Dudek, Jozef J.] Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. [Dudek, Jozef J.] Jefferson Lab, Ctr Theory, 12000 Jefferson Ave, Newport News, VA 23606 USA. RP Dudek, JJ (reprint author), Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA.; Dudek, JJ (reprint author), Jefferson Lab, Ctr Theory, 12000 Jefferson Ave, Newport News, VA 23606 USA. EM dudek@jlab.org NR 30 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 978-0-7354-1389-4 J9 AIP CONF PROC PY 2016 VL 1735 AR 020014 DI 10.1063/1.4949382 PG 6 WC Physics, Nuclear; Physics, Particles & Fields; Spectroscopy SC Physics; Spectroscopy GA BF4FI UT WOS:000380815900014 ER PT S AU Pilloni, A AF Pilloni, Alessandro BE Pennington, MR TI Production of Exotic Hadrons at Hadron Colliders SO XVITH INTERNATIONAL CONFERENCE ON HADRON SPECTROSCOPY (HADRON2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 16th International Conference on Hadron Spectroscopy (HADRON) CY SEP 13-18, 2015 CL Newport News, VA ID COLLISIONS; X(3872) AB The observation of many unexpected states decaying into heavy quarkonia has challenged the usual Q (Q) over bar interpretation. One of the most studied exotic states, the X(3872), happens to be copiously produced in high-energy hadron collisions. We discuss how this large prompt production cross-section disfavors a loosely-bound molecule interpretation for this particle. This is supported by Monte Carlo simulations, and by a comparison with extrapolated light nuclei data by ALICE. C1 [Pilloni, Alessandro] Univ Roma La Sapienza, Dipartimento Fis, Ple Aldo Moro 5, I-00185 Rome, Italy. [Pilloni, Alessandro] INFN, Ple Aldo Moro 5, I-00185 Rome, Italy. [Pilloni, Alessandro] Thomas Jefferson Natl Accelerator Facil, Theory Ctr, 12000 Jefferson Ave, Newport News, VA 23606 USA. RP Pilloni, A (reprint author), Univ Roma La Sapienza, Dipartimento Fis, Ple Aldo Moro 5, I-00185 Rome, Italy.; Pilloni, A (reprint author), INFN, Ple Aldo Moro 5, I-00185 Rome, Italy.; Pilloni, A (reprint author), Thomas Jefferson Natl Accelerator Facil, Theory Ctr, 12000 Jefferson Ave, Newport News, VA 23606 USA. EM alessandro.pilloni@roma1.infn.it OI Pilloni, Alessandro/0000-0003-4257-0928 NR 28 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 978-0-7354-1389-4 J9 AIP CONF PROC PY 2016 VL 1735 AR 060008 DI 10.1063/1.4949444 PG 6 WC Physics, Nuclear; Physics, Particles & Fields; Spectroscopy SC Physics; Spectroscopy GA BF4FI UT WOS:000380815900076 ER PT S AU Salgado, C AF Salgado, Carlos BE Pennington, MR TI PyPWA: A Partial-Wave/Amplitude Analysis Software Framework SO XVITH INTERNATIONAL CONFERENCE ON HADRON SPECTROSCOPY (HADRON2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 16th International Conference on Hadron Spectroscopy (HADRON) CY SEP 13-18, 2015 CL Newport News, VA AB The PyPWA project aims to develop a software framework for Partial Wave and Amplitude Analysis of data; providing the user with software tools to identify resonances from multi-particle final states in photoproduction. Most of the code is written in Python. The software is divided into two main branches: one general-shell where amplitude's parameters (or any parametric model) are to be estimated from the data. This branch also includes software to produce simulated data-sets using the fitted amplitudes. A second branch contains a specific realization of the isobar model (with room to include Deck-type and other isobar model extensions) to perform PWA with an interface into the computer resources at Jefferson Lab. We are currently implementing parallelism and vectorization using the Intel's Xeon Phi family of coprocessors. C1 [Salgado, Carlos] Norfolk State Univ, Norfolk, VA 23504 USA. [Salgado, Carlos] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Salgado, C (reprint author), Norfolk State Univ, Norfolk, VA 23504 USA.; Salgado, C (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM salgado@jlab.org NR 8 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 978-0-7354-1389-4 J9 AIP CONF PROC PY 2016 VL 1735 AR 070005 DI 10.1063/1.4949453 PG 6 WC Physics, Nuclear; Physics, Particles & Fields; Spectroscopy SC Physics; Spectroscopy GA BF4FI UT WOS:000380815900085 ER PT J AU McHenry, MP Brady, PV Hightower, MM AF McHenry, Mark P. Brady, P. V. Hightower, M. M. TI PV-Li-ion-micropump membrane systems for portable personal desalination SO AIMS ENERGY LA English DT Article DE desalination; portable; photovoltaic; membrane; graphene ID REMOTE ARID AREAS; WATER DESALINATION; SOLAR DESALINATION; GRAPHENE; TECHNOLOGIES; AUSTRALIA; GRAPHYNE AB This research presents a technical simulation of theoretically portable desalination systems utilising low-energy and lightweight components that are either commercially available or currently in development. The commercially available components are small-scale flexible and portable photovoltaic (PV) modules, Li-ion battery-converter units, and high pressure low voltage brushless DC motor-powered micropumps. The theoretical and conventional small-scale desalination membranes are compared against each other: low-pressure reverse osmosis (RO), nanofilters, graphene, graphene oxide, and graphyne technology. The systems were designed with the identical PV-Li-ion specifications and simulation data to quantify the energy available to power the theoretical energy demand for desalinating a saline water at 30,000-40,000 ppm total dissolved solid (TDS) to reliably supply the minimum target of 3.5 L d(-1) of freshwater for one theoretical year. The results demonstrate that modern portable commercially available PV-battery systems and new generations of energy-efficient membranes under development have the potential to enable users to sustainably procure daily drinking water needs from saline/contaminated water resources, with the system exhibiting a net reduction in weight than carrying water itself. C1 [McHenry, Mark P.] Murdoch Univ, Sch Engn & Informat Technol, Murdoch, WA, Australia. [Brady, P. V.] Sandia Natl Labs, Geosci Res & Applicat Grp, Albuquerque, NM USA. [Hightower, M. M.] Sandia Natl Labs, Energy Syst Anal Dept, Albuquerque, NM USA. RP McHenry, MP (reprint author), Murdoch Univ, Sch Engn & Informat Technol, Murdoch, WA, Australia. EM mpmchenry@gmail.com NR 39 TC 0 Z9 0 U1 2 U2 2 PU AMER INST MATHEMATICAL SCIENCES-AIMS PI SPRINGFIELD PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA SN 2333-8326 EI 2333-8334 J9 AIMS ENERGY JI AIMS Energy PY 2016 VL 4 IS 3 BP 444 EP 460 DI 10.3934/energy.2016.3.444 PG 17 WC Energy & Fuels SC Energy & Fuels GA DU0QR UT WOS:000381910100002 ER PT S AU Orduz, AK Bontoiu, C Duenas, J Martel, I Garbayo, A Villari, ACC Ostroumov, PN AF Orduz, A. K. Bontoiu, C. Duenas, J. Martel, I. Garbayo, A. Villari, A. C. C. Ostroumov, P. N. BE GarciaRamos, JE Alonso, CE Andres, MV PerezBernal, F TI A Proposal for a 72.75MHz RFQ for ECOS-LINCE Project SO BASIC CONCEPTS IN NUCLEAR PHYSICS: THEORY, EXPERIMENTS AND APPLICATIONS SE Springer Proceedings in Physics LA English DT Proceedings Paper CT La Rabida International Scientific Meeting on Nuclear Physics CY JUN 01-05, 2015 CL Int Univ Andalucia, Huelva, SPAIN SP Univ Huelva, Catedra Aiqbe, CPAN, Univ Sevilla HO Int Univ Andalucia AB ECOS-LINCE (Martel I et al., Proceedings IPAC' 14, 2014) is a proposal for a new European First Class high intensity heavy-ions accelerator for stable ions, with energies at and above the coulomb barrier. The low energy section will be achieved using a 72.75MHz normal conducting four vanes RFQ designed to give a 460 keV/u boost for A/Q = 7 ions in about 5 m (Orduz AK et al., IPAC' 14, 2014). The geometry vanes are modeled to accommodate windows in order to obtain a clear separation of the RFQ modes (Ostroumov P et al., Rev ST Accel Beams 15: 110101, 2012). This article presents the experimental results of the RF test carried out on a aluminum prototype. C1 [Orduz, A. K.; Bontoiu, C.; Duenas, J.; Martel, I.] Univ Huelva, Dept Appl Phys, Huelva 21071, Spain. [Garbayo, A.] AVS, Elgobiar, Gipuzkoa, Spain. [Villari, A. C. C.] FRIB, E Lansing, MI USA. [Ostroumov, P. N.] ANL, 9700 S Cass Av, Lemont, IL USA. RP Orduz, AK (reprint author), Univ Huelva, Dept Appl Phys, Huelva 21071, Spain. EM angie.orduz@dfa.uhu.es NR 3 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 0930-8989 BN 978-3-319-21191-6; 978-3-319-21190-9 J9 SPRINGER PROC PHYS PY 2016 VL 182 BP 215 EP 216 DI 10.1007/978-3-319-21191-6_20 PG 2 WC Physics, Nuclear SC Physics GA BF5EW UT WOS:000381936800020 ER PT J AU Sangsuwan, R Obermeyer, AC Tachachartvanich, P Palaniappan, KK Francis, MB AF Sangsuwan, Rapeepat Obermeyer, Allie C. Tachachartvanich, Phum Palaniappan, Krishnan K. Francis, Matthew B. TI Direct detection of nitrotyrosine-containing proteins using an aniline-based oxidative coupling strategy SO CHEMICAL COMMUNICATIONS LA English DT Article ID TYROSINE NITRATION; MASS-SPECTROMETRY; GENETIC-CODE; 3-NITROTYROSINE; BIOCONJUGATION; DERIVATIZATION; CONSEQUENCES; AMINOPHENOLS; PEPTIDES AB A convenient two-step method is described for the detection of nitrotyrosine-containing proteins. First, nitrotyrosines are reduced to aminophenols using sodium dithionite. Following this, an oxidative coupling reaction is used to attach anilines bearing fluorescence reporters or affinity probes. Features of this approach include fast reaction times, pmol-level sensitivity, and excellent chemoselectivity. C1 [Sangsuwan, Rapeepat; Obermeyer, Allie C.; Palaniappan, Krishnan K.; Francis, Matthew B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Tachachartvanich, Phum] Univ Calif Berkeley, Sch Publ Hlth, Div Environm Hlth Sci, Berkeley, CA 94720 USA. [Francis, Matthew B.] Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA 94720 USA. RP Francis, MB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Francis, MB (reprint author), Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA 94720 USA. EM mbfrancis@berkeley.edu FU NIH [R21 EB018055]; UC Berkeley Chemical Biology Graduate Program [1 T32 GMO66698]; NSF Graduate Research Fellowship FX This work was generously supported by the NIH (R21 EB018055). A. C. O. was supported by the UC Berkeley Chemical Biology Graduate Program (Training Grant 1 T32 GMO66698) and a NSF Graduate Research Fellowship. We also acknowledge I. Aanei for supplying the MS2-T19(Y-NO2) protein. NR 27 TC 0 Z9 0 U1 5 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 2016 VL 52 IS 65 BP 10036 EP 10039 DI 10.1039/c6cc04575h PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DT4GD UT WOS:000381437300013 PM 27447346 ER PT J AU Wood, PA Sarjeant, AA Yakovenko, AA Ward, SC Groom, CR AF Wood, Peter A. Sarjeant, Amy A. Yakovenko, Andrey A. Ward, Suzanna C. Groom, Colin R. TI Capturing neon - the first experimental structure of neon trapped within a metal-organic environment SO CHEMICAL COMMUNICATIONS LA English DT Article ID CRYSTAL-STRUCTURE; ADSORPTION; FRAMEWORK; XE; KR; ELEMENTS AB Despite being the fifth most abundant element in the atmosphere, neon has never been observed in an organic or metal-organic environment. This study shows the adsorption of this highly unreactive element within such an environment and reveals the first crystallographic observation of an interaction between neon and a transition metal. C1 [Wood, Peter A.; Ward, Suzanna C.; Groom, Colin R.] Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England. [Sarjeant, Amy A.] Rutgers State Univ, Ctr Integrat Prote Res, Cambridge Crystallog Data Ctr, 174 Frelinghuysen Rd, Piscataway, NJ 08854 USA. [Yakovenko, Andrey A.] Argonne Natl Lab, Adv Photon Source, X Ray Sci Div, Argonne, IL 60439 USA. RP Wood, PA (reprint author), Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England. EM wood@ccdc.cam.ac.uk RI Wood, Peter/B-8508-2008 OI Wood, Peter/0000-0002-5239-2160 FU U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; ANL; CCDC FX AAY thanks the Director's Postdoctoral Fellowship program at ANL. Other costs were met from the CCDC scholarship and outreach fund. Use of the Advanced Photon Source was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 20 TC 1 Z9 1 U1 2 U2 2 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 2016 VL 52 IS 65 BP 10048 EP 10051 DI 10.1039/c6cc04808k PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DT4GD UT WOS:000381437300016 PM 27452474 ER PT J AU Wang, FM Liu, W Teat, SJ Xu, F Wang, H Wang, XL An, LT Li, J AF Wang, Fangming Liu, Wei Teat, Simon J. Xu, Feng Wang, Hao Wang, Xinlong An, Litao Li, Jing TI Chromophore-immobilized luminescent metal-organic frameworks as potential lighting phosphors and chemical sensors SO CHEMICAL COMMUNICATIONS LA English DT Article ID HIGH PROTON CONDUCTIVITY; COMMENSURATE ADSORPTION; HYDROGEN STORAGE; DRUG-DELIVERY; HYDROCARBONS; FLUORESCENCE; SEPARATION; CHANNELS; CATALYST; SURFACE AB An organic chromophore H(4)tcbpe-F was synthesized and immobilized into metal-organic frameworks along with two bipyridine derivatives as co-ligands to generate two strongly luminescent materials [Zn-2(tcbpe-F)(4,4'-bpy)center dot xDMA] (1) and [Zn-2(tcbpe-F)(bpee)center dot xDMA] (2) [4,4'-bpy = 4,4'-bipyridine, bpee = 4,4'-bipyridyl-ethylene, tcbpe-F = 4',4''',4''''',4'''''''-(ethene-1,1,2,2-tetrayl) tetrakis(3-fluoro- [1,1'-biphenyl]-4-carboxylic acid), DMA = N,N-dimethylacetamide]. Compounds 1 and 2 are isoreticular and feature a 2-fold interpenetrated three-dimensional porous structure. Both compounds give green-yellow emission under blue light excitation. Compound 1 has a high internal quantum yield of similar to 51% when excited at 455 nm and shows selective luminescence signal change (e.g. emission energy and/ or intensity) towards different solvents, including both aromatic and nonaromatic volatile organic species. These properties make it potentially useful as a lighting phosphor and a chemical sensor. C1 [Wang, Fangming] Jiangsu Univ Sci & Technol, Sch Environm & Chem Engn, Zhenjiang 212003, Jiangsu, Peoples R China. [Wang, Fangming; Liu, Wei; Xu, Feng; Wang, Hao; Wang, Xinlong; An, Litao; Li, Jing] Rutgers State Univ, Dept Chem & Chem Biol, 610 Taylor Rd, Piscataway, NJ 08854 USA. [Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Li, J (reprint author), Rutgers State Univ, Dept Chem & Chem Biol, 610 Taylor Rd, Piscataway, NJ 08854 USA. EM jingli@rutgers.edu FU National Science Foundation [DMR-1507210]; Jiangsu Overseas Research & Training Program for University Prominent Young & Middle-aged Teachers and Presidents; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The RU team acknowledges the support from the National Science Foundation through grant No. DMR-1507210. FW was supported by the Jiangsu Overseas Research & Training Program for University Prominent Young & Middle-aged Teachers and Presidents. The Advanced Light Source was 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 48 TC 3 Z9 3 U1 14 U2 22 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 2016 VL 52 IS 67 BP 10249 EP 10252 DI 10.1039/c6cc05290h PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DT6GI UT WOS:000381581300010 PM 27465685 ER PT J AU Edwards, S Oki, N Bell, S Nelms, M Tan, C AF Edwards, Stephen Oki, Noffisat Bell, Shannon Nelms, Mark Tan, Cecelia TI Computationally-predicted aops and systems toxicology SO DRUG METABOLISM REVIEWS LA English DT Meeting Abstract CT 20th North American Meeting of the International-Society-for-the-Study-of-Xenobiotics (ISSX) CY OCT 18-22, 2015 CL Orlando, FL SP Int Soc Study Xenobiot C1 [Edwards, Stephen; Oki, Noffisat; Bell, Shannon; Nelms, Mark; Tan, Cecelia] US EPA, Res Triangle Pk, NC 27711 USA. [Oki, Noffisat; Bell, Shannon; Nelms, Mark] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0360-2532 EI 1097-9883 J9 DRUG METAB REV JI Drug Metab. Rev. PY 2016 VL 48 SU 1 MA S13 BP 12 EP 12 PG 1 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA DS4IO UT WOS:000380744900020 ER PT S AU Owens, BC Mayes, RL AF Owens, Brian C. Mayes, Randall L. BE Allen, M Mayes, RL Rixen, D TI Verification of Experimental Component Mode Synthesis in the Sierra Analysis Framework SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Component mode synthesis; Craig-Bampton; Substructure; Sierra; Finite elements AB Experimental component mode synthesis (CMS) seeks to measure the fundamental modes of vibration of a substructure and develop a structural dynamics model of an as-built structural component through modal testing. Experimental CMS has the potential to circumvent laborious and costly substructure model development and calibration in lieu of a structural dynamics model obtained directly from experimental measurements. Previous efforts of interfacing an experimental CMS model with a production finite element code proved cumbersome. Recently an improved "Craig-Mayes" approach casts an experimental CMS model in the familiar Craig-Bampton form. This form is easily understood by analysts and more readily interfaced with non-trivial, discrete finite element models. The approach/work-flow for interfacing an experimental Craig-Mayes CMS model with the Sierra analysis framework is discussed and the procedure is demonstrated on a verification problem. C1 [Owens, Brian C.; Mayes, Randall L.] Sandia Natl Labs, POB 5800-MS0346, Albuquerque, NM 87185 USA. RP Owens, BC (reprint author), Sandia Natl Labs, POB 5800-MS0346, Albuquerque, NM 87185 USA. EM bcowens@sandia.gov; rlmayes@sandia.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 1 EP 5 DI 10.1007/978-3-319-29763-7_1 PG 5 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500001 ER PT S AU Allen, MS Roettgen, D Kammer, D Mayes, R AF Allen, Matthew S. Roettgen, Daniel Kammer, Daniel Mayes, Randy BE Allen, M Mayes, RL Rixen, D TI Experimental Modal Substructuring with Nonlinear Modal Iwan Models to Capture Nonlinear Subcomponent Damping SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Reduced order modeling; Friction; Interface; Nonlinear modes; Complexification and averaging ID JOINTS AB This work proposes a means whereby weak nonlinearity in a substructure, as typically arises due to friction in bolted interfaces, can be captured experimentally on a mode-by-mode basis and then used to predict the nonlinear response of an assembly. The method relies on the fact that the modes of a weakly nonlinear structure tend to remain uncoupled so long as their natural frequencies are distinct and higher harmonics generated by the nonlinearity do not produce significant response in other modes. Recent experiments on industrial hardware with bolted joints has shown that this type of model can be quite effective, and that a single degree-of-freedom (DOF) system with an Iwan joint, which is known as a modal Iwan model, effectively captures the way in which the stiffness and damping depend on amplitude. Once the modal Iwan models have been identified for each mode of the subcomponent(s) of interest, they can be assembled using standard techniques and used with a numerical integration routine to compute the nonlinear transient response of the assembled structure. The proposed methods are demonstrated by coupling a modal model of a 3DOF system with three discrete Iwan joints to a linear model for a 2DOF system. C1 [Allen, Matthew S.; Roettgen, Daniel; Kammer, Daniel] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Mayes, Randy] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Roettgen, D (reprint author), Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. EM msallen@engr.wisc.edu; droettgen@wisc.edu; kammer@engr.wisc.edu; rlmayes@sandia.gov NR 14 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 47 EP 55 DI 10.1007/978-3-319-29763-7_6 PG 9 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500006 ER PT S AU Mayes, RL Pacini, BR Roettgen, DR AF Mayes, Randall L. Pacini, Benjamin R. Roettgen, Daniel R. BE Allen, M Mayes, RL Rixen, D TI A Modal Model to Simulate Typical Structural Dynamic Nonlinearity SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Nonlinear system identification; Nonlinear simulation; Structural dynamics; Modal model AB Some initial investigations have been published which simulate nonlinear response with almost traditional modal models: instead of connecting the modal mass to ground through the traditional spring and damper, a nonlinear Iwan element was added. This assumes that the mode shapes do not change with amplitude and there are no interactions between modal degrees of freedom. This work expands on these previous studies. An impact experiment is performed on a structure which exhibits typical structural dynamic nonlinear response, i.e. weak frequency dependence and strong damping dependence on the amplitude of vibration. Use of low level modal test results in combination with high level impacts are processed using various combinations of modal filtering, the Hilbert Transform and band-pass filtering to develop response data that are then fit with various nonlinear elements to create a nonlinear pseudo-modal model. Simulations of forced response are compared with high level experimental data for various nonlinear element assumptions. C1 [Mayes, Randall L.; Pacini, Benjamin R.] Sandia Natl Labs, Struct Dynam Xray NDE Dept, POB 5800-MS0557, Albuquerque, NM 87185 USA. [Roettgen, Daniel R.] Univ Wisconsin, Dept Engn Mech, Madison, WI 53706 USA. RP Mayes, RL (reprint author), Sandia Natl Labs, Struct Dynam Xray NDE Dept, POB 5800-MS0557, Albuquerque, NM 87185 USA. EM rlmayes@sandia.gov; brpacin@sandia.gov; droettgen@wisc.edu NR 12 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 57 EP 76 DI 10.1007/978-3-319-29763-7_7 PG 20 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500007 ER PT S AU Gross, J Armand, J Lacayo, RM Reuss, P Salles, L Schwingshackl, CW Brake, MRW Kuether, RJ AF Gross, J. Armand, J. Lacayo, R. M. Reuss, P. Salles, L. Schwingshackl, C. W. Brake, M. R. W. Kuether, R. J. BE Allen, M Mayes, RL Rixen, D TI A Numerical Round Robin for the Prediction of the Dynamics of Jointed Structures SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Nonlinear damping; Nonlinear vibration; Bolted joint; Finite element analysis; Harmonic balance ID BLADED DISKS; VIBRATION ANALYSIS; MODEL AB Motivated by the current demands in high-performance structural analysis, and by a desire to better model systems with localized nonlinearities, analysts have developed a number of different approaches for modelling and simulating the dynamics of a bolted-joint structure. However, the types of conditions that make one approach more effective than the others remains poorly understood due to the fact that these approaches are developed from fundamentally and phenomenologically different concepts. To better grasp their similarities and differences, this research presents a numerical round robin that assesses how well three different approaches predict and simulate a mechanical joint. These approaches are applied to analyze a system comprised of two linear beam structures with a bolted joint interface, and their strengths and shortcomings are assessed in order to determine the optimal conditions for their use. C1 [Gross, J.; Reuss, P.] Univ Stuttgart, Inst Nonlinear Mech, Stuttgart, Germany. [Armand, J.; Salles, L.; Schwingshackl, C. W.] Imperial Coll London, Vibrat Univ Technol Ctr, London, England. [Lacayo, R. M.; Brake, M. R. W.; Kuether, R. J.] Sandia Natl Labs, Component Sci & Mech, POB 5800, Albuquerque, NM 87185 USA. RP Lacayo, RM (reprint author), Sandia Natl Labs, Component Sci & Mech, POB 5800, Albuquerque, NM 87185 USA. EM rmlacay@hotmail.com NR 18 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 195 EP 211 DI 10.1007/978-3-319-29763-7_20 PG 17 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500020 ER PT S AU Hopkins, RN Heitman, LAA AF Hopkins, Ronald N. Heitman, Lili A. A. BE Allen, M Mayes, RL Rixen, D TI A Method to Capture Macroslip at Bolted Interfaces SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Macroslip; ADAMS; Shock response spectrum; Substructure; Joint AB Relative motion at bolted connections can occur for large shock loads as the internal shear force in the bolted connection overcomes the frictional resistive force. This macroslip in a structure dissipates energy and reduces the response of the components above the bolted connection. There is a need to be able to capture macroslip behavior in a structural dynamics model. A linear model and many nonlinear models are not able to predict marcoslip effectively. The proposed method to capture macroslip is to use the multi-body dynamics code ADAMS to model joints with 3-D contact at the bolted interfaces. This model includes both static and dynamic friction. The joints are preloaded and the pinning effect when a bolt shank impacts a through hole inside diameter is captured. Substructure representations of the components are included to account for component flexibility and dynamics. This method was applied to a simplified model of an aerospace structure and validation experiments were performed to test the adequacy of the method. C1 [Hopkins, Ronald N.; Heitman, Lili A. A.] Sandia Natl Labs, Analyt Struct Dynam Dept, POB 5800 MS0840, Albuquerque, NM 87185 USA. RP Heitman, LAA (reprint author), Sandia Natl Labs, Analyt Struct Dynam Dept, POB 5800 MS0840, Albuquerque, NM 87185 USA. EM rnhopki@sandia.gov; laakin@sandia.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 213 EP 229 DI 10.1007/978-3-319-29763-7_21 PG 17 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500021 ER PT S AU Brake, MRW AF Brake, M. R. W. BE Allen, M Mayes, RL Rixen, D TI A Reduced Iwan Model that Includes Pinning for Bolted Joint Mechanics SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Joint Mechanics; Iwan model; Pinning; Friction; Hysteresis AB Bolted are joints are prevalent in most assembled structures; however, predictive models for the behavior of these joints do not yet exist. Many calibrated models have been proposed to represent the stiffness and energy dissipation characteristics of a bolted joint. In particular, the Iwan model put forth by Segalman and later extended by Mignolet has been shown to be able to predict the response of a jointed structure over a range of excitations once calibrated at a nominal load. The Iwan model, however, is not widely adopted due to the high computational expense of implementing it in a numerical simulation. To address this, an analytical, closed form representation of the Iwan model is derived under the hypothesis that upon a load reversal, the distribution of friction elements within the interface resembles a scaled version of the original distribution of friction elements. Additionally, the Iwan model is extended to include the pinning behavior inherent in a bolted joint. C1 [Brake, M. R. W.] Sandia Natl Labs, POB 5800,MS 1070, Albuquerque, NM 87185 USA. RP Brake, MRW (reprint author), Sandia Natl Labs, POB 5800,MS 1070, Albuquerque, NM 87185 USA. EM mrbrake@sandia.gov NR 15 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 231 EP 240 DI 10.1007/978-3-319-29763-7_22 PG 10 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500022 ER PT S AU Kuether, RJ Brake, MRW AF Kuether, Robert J. Brake, Matthew R. W. BE Allen, M Mayes, RL Rixen, D TI Instantaneous Frequency and Damping from Transient Ring-Down Data SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Time-frequency analysis; Nonlinear vibrations; Instantaneous frequency; Instantaneous damping; Nonlinear normal modes ID NONLINEAR NORMAL-MODES; SYSTEM IDENTIFICATION; VIBRATION ANALYSIS; CURVES AB Broadband impact excitation in structural dynamics is a common technique used to detect and characterize nonlinearities in mechanical systems since it excites many frequencies of a structure at once. Non-stationary time signals from transient ring-down measurements require time-frequency analysis tools to observe variations in frequency and energy dissipation as the response evolves. This work uses the short-time Fourier transform to estimate the instantaneous parameters from measured or simulated data. By combining the discrete Fourier transform with an expanding or contracting window function that moves along the time axis, the resulting spectra are used to estimate the instantaneous frequencies, damping ratios and complex Fourier coefficients. This method is demonstrated on a multi-degree-of-freedom beam with a cubic spring attachment. The amplitude-frequency dependence in the damped response is compared to the undamped nonlinear normal modes. A second example shows the results from experimental ring-down measurements taken on a beam with a lap joint, revealing how the mechanical interface introduces nonlinear frequency and damping parameters. C1 [Kuether, Robert J.; Brake, Matthew R. W.] Sandia Natl Labs, POB 5800 MS 0346, Albuquerque, NM 87185 USA. RP Kuether, RJ (reprint author), Sandia Natl Labs, POB 5800 MS 0346, Albuquerque, NM 87185 USA. EM rjkueth@sandia.gov NR 29 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 253 EP 263 DI 10.1007/978-3-319-29763-7_24 PG 11 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500024 ER PT S AU Jacobs, LD Kuether, RJ Hofer, JH AF Jacobs, Laura D. Kuether, Robert J. Hofer, John H. BE Allen, M Mayes, RL Rixen, D TI Energy Dissipation of a System with Foam to Metal Interfaces SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Energy dissipation; Harmonic loading; Contact friction; Craig-Bampton model; Model validation ID TANGENTIAL LOADS; BOLTED JOINTS; MICROSLIP; MODEL AB The physical mechanisms of energy dissipation in foam to metal interfaces must be understood in order to develop predictive models of systems with foam packaging common to many aerospace and aeronautical applications. Experimental data was obtained from hardware termed "Ministack", which has large, unbonded interfaces held under compressive preload. This setup has a solid aluminum mass placed into two foam cups which are then inserted into an aluminum can and fastened with a known preload. Ministack was tested on a shaker using upward sine sweep base acceleration excitations to estimate the linearized natural frequency and energy dissipation of the first axial mode. The experimental system was disassembled and reassembled before each series of tests in order to observe the effects of the assembly to assembly variability on the dynamics. There are some important findings in the measured data: there is significant assembly to assembly variability, the order in which the sine sweeps are performed influence the dynamic response, and the system exhibits nontrivial damping and stiffness nonlinearities that must be accounted for in modeling efforts. A Craig-Bampton model connected with a four-parameter Iwan element and piecewise linear springs is developed and calibrated using test data with the intention of capturing the nonlinear energy dissipation and loss of stiffness observed in experiment. C1 [Jacobs, Laura D.; Kuether, Robert J.; Hofer, John H.] Sandia Natl Labs, POB 5800,MS 0557, Albuquerque, NM 87185 USA. RP Jacobs, LD (reprint author), Sandia Natl Labs, POB 5800,MS 0557, Albuquerque, NM 87185 USA. EM ldjacob@sandia.gov NR 15 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 323 EP 332 DI 10.1007/978-3-319-29763-7_31 PG 10 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500031 ER PT S AU Bonney, MS Robertson, BA Mignolet, M Schempp, F Brake, MR AF Bonney, Matthew S. Robertson, Brett A. Mignolet, Marc Schempp, Fabian Brake, Matthew R. BE Allen, M Mayes, RL Rixen, D TI Experimental Determination of Frictional Interface Models SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Brake-Reuss beam; Uncertainty quantification; Iwan model; Plasticity; Tribology AB The focus of this paper is on continuing the experimental/ modeling investigation of the Brake-Reuss beam which was initiated a year ago as part of the NOMAD program at Sandia National Labs. The ultimate goal of the overall effort is to ( 1) determine the parameters of joint models, in particular the Iwan model in its modal form, from well delineated tests and ( 2) extend this approach to identify statistical distributions of the model parameters to account for joint uncertainty. The present effort focused on free response of the beam resulting from an impact test. The use of this data in conjunction with the Hilbert transform is shown to provide a straightforward framework for the identification of the joint model parameters at the contrary of the forced response data used earlier. The resulting frequency and damping vs. amplitude curves are particularly conducive to a Iwan-type modeling which is demonstrated. The curves also show the effect of the bolt torque on the joint behavior, i.e., increase in natural frequency, linear limit, and macroslip threshold. Macroslip is shown to have occurred in some of the tests and it is concluded from ensuing testing that this event changed the nature of the jointed beams. Specifically, the linear natural frequency ( observed under very low level impact test) shifted permanently by 20 Hz and, in one case, the linear natural frequency was observed to decrease with increasing bolt torque level in opposition to other beams and physical expectations. An analysis of the joint surface strongly suggest that a significant plastic zone developed during the macroslip phase which induced the above unusual behaviors. C1 [Bonney, Matthew S.] Univ Wisconsin, Madison, WI 53706 USA. [Robertson, Brett A.; Mignolet, Marc] Arizona State Univ, Tempe, AZ USA. [Schempp, Fabian] Univ Stuttgart, Stuttgart, Germany. [Brake, Matthew R.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Bonney, MS (reprint author), Univ Wisconsin, Madison, WI 53706 USA. EM msbonney@wisc.edu; barober@sandia.gov; marc.mignolet@asu.edu; fabian_schempp@gmx.de; mrbrake@sandia.gov NR 9 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 473 EP 490 DI 10.1007/978-3-319-29763-7_47 PG 18 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500047 ER PT S AU Catalfamo, S Smith, SA Morlock, F Brake, MRW Reuss, P Schwingshackl, CW Zhu, WD AF Catalfamo, S. Smith, S. A. Morlock, F. Brake, M. R. W. Reuss, P. Schwingshackl, C. W. Zhu, W. D. BE Allen, M Mayes, RL Rixen, D TI Effects of Experimental Methods on the Measurements of a Nonlinear Structure SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Bolted joints; Nonlinear vibration; Experimental setup; Measurement effects; Testing guidelines ID SYSTEMS AB This paper continues the investigation from a paper presented at IMAC XXXIII that looked into the influence of various experimental setups on the nonlinear measurements of structures with mechanical joints. The previous study reported how the system stiffness and damping was affected by the force input method, boundary conditions and measurement techniques. However, during the stepped sine excitation experiments the parameters for the control schemes were neglected. In this paper, different control strategies, namely force and acceleration control, are used to observe how the parameters affect the measurements at different levels of excitation. The experiments are conducted on bolted beams containing a lap joint with different boundary conditions. The beams are excited by a shaker using a stepped sine signal using narrow bandwidths around three of the natural frequencies. The results show that acceleration amplitude control can produce cleaner transfer functions compared to the force amplitude control method. C1 [Catalfamo, S.; Morlock, F.; Reuss, P.] Univ Stuttgart, Keplerstr 7, D-70174 Stuttgart, Germany. [Smith, S. A.] Sandia Natl Labs, 1000 Hilltop Circle, Baltimore, MD 21250 USA. [Smith, S. A.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Brake, M. R. W.; Zhu, W. D.] Sandia Natl Labs, Livermore, CA 94550 USA. [Schwingshackl, C. W.] Imperial Coll London, London SW7 2AZ, England. RP Smith, SA (reprint author), Sandia Natl Labs, 1000 Hilltop Circle, Baltimore, MD 21250 USA.; Smith, SA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ssmith11@umbc.edu NR 6 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 491 EP 500 DI 10.1007/978-3-319-29763-7_48 PG 10 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500048 ER PT S AU Flicek, RC Moore, KJ Castelluccio, GM Brake, MRW Truster, T Hammetter, CI AF Flicek, R. C. Moore, K. J. Castelluccio, G. M. Brake, M. R. W. Truster, T. Hammetter, C. I. BE Allen, M Mayes, RL Rixen, D TI Stress Waves Propagating Through Bolted Joints SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Bolted joints; Interfacial mechanics; Frictional dissipation; Wave propagation; Dynamic contact AB This paper examines the mechanical response of a simple bolted joint, the Brake-Reuss beam, under shock loading. This is done by creating a high-fidelity finite element model of the beam and subjecting it to a quasi-static bolt load followed by a dynamic shock load. The influence of several parameters on the beam's response is studied, which include impact force, impact duration, impact location, and residual stress. The results indicate that when the energy input into the beam is held constant, the most influential parameter is the shock's frequency and that increasing its frequency significantly increases dissipation. The next most influential parameter is the impact location, though its effect is frequency dependent and becomes stronger for higher frequencies. Finally, the results show that while residual stresses can significantly modify the contactpressure distribution, they have minimal influence on the energy dissipated due to friction resulting from shock loading. C1 [Flicek, R. C.] Sandia Natl Labs, Akima Infrastruct Serv, POB 5800, Albuquerque, NM 87175 USA. [Moore, K. J.] Univ Illinois, Dept Mech Sci & Engn, 1206 W Green St, Urbana, IL 61801 USA. [Castelluccio, G. M.; Brake, M. R. W.; Hammetter, C. I.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87175 USA. [Truster, T.] Univ Tennessee, Dept Civil & Environm Engn, 318 John D Tickle Engn Bldg,851 Neyland Dr, Knoxville, TN 37996 USA. RP Moore, KJ (reprint author), Univ Illinois, Dept Mech Sci & Engn, 1206 W Green St, Urbana, IL 61801 USA. EM kmoore14@illinois.edu NR 4 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 501 EP 509 DI 10.1007/978-3-319-29763-7_49 PG 9 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500049 ER PT S AU Roettgen, D Seeger, B Tai, WC Baek, S Dossogne, T Allen, M Kuether, R Brake, MRW Mayes, R AF Roettgen, Daniel Seeger, Benjamin Tai, Wei Che Baek, Seunghun Dossogne, Tilan Allen, Matthew Kuether, Robert Brake, Matthew R. W. Mayes, Randall BE Allen, M Mayes, RL Rixen, D TI A Comparison of Reduced Order Modeling Techniques Used in Dynamic Substructuring SO DYNAMICS OF COUPLED STRUCTURES, VOL 4 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 34th IMAC Conference and Exposition on Structural Dynamics CY JAN 25-28, 2016 CL Orlando, FL SP Soc Experimental Mech DE Reduced order modelling; Dynamic substructuring; Craig-Bampton; Craig-Mayes; Craig-Chang ID MASS AB Experimental dynamic substructuring is a means whereby a mathematical model for a substructure can be obtained experimentally and then coupled to a model for the rest of the assembly to predict the response. Recently, various methods have been proposed that use a transmission simulator to overcome sensitivity to measurement errors and to exercise the interface between the substructures; including the Craig-Bampton, Dual Craig-Bampton, and Craig-Mayes methods. This work compares the advantages and disadvantages of these reduced order modeling strategies for two dynamic substructuring problems. The methods are first used on an analytical beam model to validate the methodologies. Then they are used to obtain an experimental model for structure consisting of a cylinder with several components inside connected to the outside case by foam with uncertain properties. This represents an exceedingly difficult structure to model and so experimental substructuring could be an attractive way to obtain a model of the system. C1 [Roettgen, Daniel; Allen, Matthew] Univ Wisconsin, Madison, WI 53706 USA. [Seeger, Benjamin] Univ Stuttgart, Keplerstr 7, D-70174 Stuttgart, Germany. [Tai, Wei Che] Univ Washington, Seattle, WA 98195 USA. [Baek, Seunghun] Univ Michigan, Ann Arbor, MI 48109 USA. [Dossogne, Tilan] Univ Liege, Pl 20 Aout 7, B-4000 Liege, Belgium. [Kuether, Robert; Brake, Matthew R. W.; Mayes, Randall] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Roettgen, D (reprint author), Univ Wisconsin, Madison, WI 53706 USA. EM droettgen@wisc.edu; b_seeger@arcor.de; wchtai@uw.edu; baeksh@umich.edu; tdossogne@ulg.ac.be; matt.allen@wisc.edu; rjkueth@sandia.gov; mrbrake@sandia.gov; rlmayes@sandia.gov NR 7 TC 0 Z9 0 U1 2 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-29763-7; 978-3-319-29762-0 J9 C PROC SOC EXP MECH PY 2016 BP 511 EP 528 DI 10.1007/978-3-319-29763-7_50 PG 18 WC Engineering, Mechanical SC Engineering GA BF4UZ UT WOS:000381725500050 ER PT S AU Lotfi, H Li, L Lei, L Ye, H Rassel, SMS Jiang, YC Yang, RQ Klem, JF Mishima, TD Santos, MB Johnson, MB Gupta, JA AF Lotfi, Hossein Li, Lu Lei, Lin Ye, Hao Rassel, S. M. Shazzad Jiang, Yuchao Yang, Rui Q. Klem, John F. Mishima, Tetsuya D. Santos, Michael B. Johnson, Matthew B. Gupta, James A. BE Andresen, BF Fulop, GF Hanson, CM Norton, PR TI Recent developments in interband cascade infrared photodetectors SO INFRARED TECHNOLOGY AND APPLICATIONS XLII SE Proceedings of SPIE LA English DT Proceedings Paper CT 42 Conference on Infrared Technology and Applications XLII CY APR 18-21, 2016 CL Baltimore, MA SP SPIE DE III-V semiconductors; diffusion length; high-speed photodetectors; high-temperature operation; interband cascade structures; mid-wavelength infrared; short wavelength infrared; type-II superlattice AB We investigate high-temperature and high-frequency operation of interband cascade infrared photodetectors (ICIPs)-two critical properties. Short-wavelength ICIPs with a cutoff wavelength of 2.9 mu m had Johnson-noise limited detectivity of 5.8x10(9) cmHz(1/2)/W at 300 K, comparable to the commercial Hg1-xCdxTe photodetectors of similar wavelengths. A simple but effective method to estimate the minority carrier diffusion length in short-wavelength ICIPs is introduced. Using this approach, the diffusion length was estimated to be significantly shorter than 1 mu m at high temperatures, indicating the importance of a multiple-stage photodetector (e.g., ICIPs) at high temperatures. Recent investigations on the high-frequency operation of mid-wavelength ICIPs (lambda(o)= 4.3 mu m) are discussed. These photodetectors had 3-dB bandwidths up to 1.3 GHz with detectivities exceeding 1x10(9) cmHz(1/2)/W at room temperature. These results validate the ability of ICIPs to achieve high bandwidths with large sensitivity and demonstrate the great potential for applications such as: heterodyne detection, and free-space optical communication. C1 [Lotfi, Hossein; Li, Lu; Lei, Lin; Ye, Hao; Rassel, S. M. Shazzad; Jiang, Yuchao; Yang, Rui Q.] Univ Oklahoma, Sch Elect & Comp Engn, Norman, OK 73019 USA. [Klem, John F.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Mishima, Tetsuya D.; Santos, Michael B.; Johnson, Matthew B.] Univ Oklahoma, Dept Phys & Astron, Norman, OK 73019 USA. [Gupta, James A.] Natl Res Council Canada, Ottawa, ON K1A 0R6, Canada. RP Lotfi, H (reprint author), Univ Oklahoma, Sch Elect & Comp Engn, Norman, OK 73019 USA. EM hossein.lotfi@ou.edu; Rui.q.Yang@ou.edu NR 18 TC 1 Z9 1 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 978-1-5106-0060-7 J9 PROC SPIE PY 2016 VL 9819 AR 98190Q DI 10.1117/12.2235086 PG 9 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BF4JD UT WOS:000381071600025 ER PT J AU Saxena, A AF Saxena, Avadh TI Topological defects and topological materials SO INTEGRATED FERROELECTRICS LA English DT Article DE Vortices; skyrmions; Dzyaloshinskii-Moriya interaction; Dirac materials; Weyl semimetals; topological insulators ID SKYRMION LATTICE; INSULATORS; SEMICONDUCTOR AB Defects in materials that interpolate between two orientation states such as domain walls and those which relate to some kind of material discontinuity, e.g. dislocations and disclinations, comprise topological defects. Noncoplanar vector arrangements, e.g. vortices, skyrmions, and possibly monopole-like excitations, also belong to this family of defects. Presence of such defects affects many of the macroscopic properties of materials, for example electronic transport and strength. Materials in which topological aspects, e.g. edge or surface states, affect the electronic, transport and other properties can be described as topological materials. Topological insulators, topological superconductors and certain Dirac materials, e.g. graphene and Weyl semimetals, belong to this class of materials. These materials possess unusual functionalities potentially useful in a variety of information processing and quantum computation based applications. C1 [Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Saxena, A (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM avadh@lanl.gov FU LDRD program of the U.S. Department of Energy FX I thank Towfiq Ahmed for help with Figure 3. This work was supported by the LDRD program of the U.S. Department of Energy. NR 30 TC 0 Z9 0 U1 11 U2 14 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1058-4587 EI 1607-8489 J9 INTEGR FERROELECTR JI Integr. Ferroelectr. PY 2016 VL 174 IS 1 SI SI BP 1 EP 7 DI 10.1080/10584587.2016.1189310 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied; Physics, Condensed Matter SC Engineering; Physics GA DS9MV UT WOS:000381108100002 ER PT J AU Santos, I Bhalla, A Cotica, L Guo, RY Garcia, D Saxena, A Priya, S AF Santos, Ivair Bhalla, Amar Cotica, Luiz Guo, Ruyan Garcia, Ducinei Saxena, Avadh Priya, Shashank TI Untitled SO INTEGRATED FERROELECTRICS LA English DT Editorial Material C1 [Santos, Ivair; Cotica, Luiz] Univ Estadual Maringa, Maringa, Parana, Brazil. [Bhalla, Amar; Guo, Ruyan] Univ Texas San Antonio, San Antonio, TX USA. [Garcia, Ducinei] Univ Fed Sao Carlos, BR-13560 Sao Carlos, SP, Brazil. [Saxena, Avadh] Los Alamos Natl Lab, Los Alamos, NM USA. [Priya, Shashank] Virginia Tech, Blacksburg, VA USA. RP Santos, I (reprint author), Univ Estadual Maringa, Maringa, Parana, Brazil. OI santos, ivair/0000-0001-7775-0692 NR 0 TC 0 Z9 0 U1 1 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1058-4587 EI 1607-8489 J9 INTEGR FERROELECTR JI Integr. Ferroelectr. PY 2016 VL 174 IS 1 SI SI BP V EP VI DI 10.1080/10584587.2016.1189309 PG 2 WC Engineering, Electrical & Electronic; Physics, Applied; Physics, Condensed Matter SC Engineering; Physics GA DS9MV UT WOS:000381108100001 ER PT J AU Garn, TG Greenhalgh, M Law, JD AF Garn, Troy G. Greenhalgh, Mitchell Law, Jack D. TI Development and evaluation of a silver mordenite composite sorbent for the partitioning of xenon from krypton in gas compositions SO JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY LA English DT Article DE adsorption; volatile fission products; fuel reprocessing; separation process; xenon; silver mordenite ID MOLECULAR-SIEVE; NOBLE-GASES; ADSORPTION; NANOPARTICLES AB A new engineered form composite sorbent for the selective separation of xenon from krypton in simulant composition off-gas streams resulting from the reprocessing of used nuclear fuel has been developed and evaluated. A sodium mordenite powder was incorporated into a macroporous polymer binder, formed into spherical beads and successfully converted to a 9 wt.% silver form composite sorbent. The final engineered form sorbent retained the characteristic surface area indicative of sodium mordenite powder. The sorbent was evaluated for xenon adsorption potential with capacities measured as high as 30 millimoles of xenon per kilogram of sorbent achieved at ambient temperature and 460 millimoles of xenon per kilogram sorbent at 220K. Xenon/krypton selectivity was calculated to be 22.4 with a 1020 mu L/L xenon, 150 mu L/L krypton in a balance of air feed gas at 220K. Adsorption/desorption thermal cycling effects were evaluated with results indicating sorbent performance was not significantly impacted while undergoing numerous adsorption/desorption thermal cycles. C1 [Garn, Troy G.; Greenhalgh, Mitchell; Law, Jack D.] Idaho Natl Lab, Aqueous Separat & Radiochem Dept, Idaho Falls, ID 83415 USA. RP Garn, TG (reprint author), Idaho Natl Lab, Aqueous Separat & Radiochem Dept, Idaho Falls, ID 83415 USA. EM troy.garn@inl.gov OI Law, Jack/0000-0001-7085-7542 FU U.S. Department of Energy, Assistant Secretary for Nuclear Energy: Fuel Cycle Research and Development Off-gas Sigma Team, DOE Idaho Operations Office [DE-AC07-05ID14517] FX U.S. Department of Energy, Assistant Secretary for Nuclear Energy: Fuel Cycle Research and Development Off-gas Sigma Team, DOE Idaho Operations Office [Contract Number DE-AC07-05ID14517]. NR 13 TC 0 Z9 0 U1 5 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0022-3131 EI 1881-1248 J9 J NUCL SCI TECHNOL JI J. Nucl. Sci. Technol. PY 2016 VL 53 IS 10 BP 1484 EP 1488 DI 10.1080/00223131.2015.1126205 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DS8EC UT WOS:000381015100004 ER PT S AU Smith, ES AF Smith, Elton S. CA GlueX Collaboration BE Cristancho, F TI Development of Silicon Photomultipliers and their Applications to GlueX Calorimetry SO LATIN AMERICAN SYMPOSIUM ON NUCLEAR PHYSICS AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 11th Latin American Symposium on Nuclear Physics and Applications (LASNPA) CY NOV 30-DEC 04, 2015 CL Edificio Extens Univ Antioquia, Medellin, COLOMBIA SP Univ Nac Colombia, Univ Antioquia, Univ Andes, Int Ctr Theoret Phys, Int Un Pure & Appl Phys HO Edificio Extens Univ Antioquia ID BARREL CALORIMETER; SCINTILLATING FIBERS; SPECTRAL RESPONSE; PERFORMANCE AB The GlueX experiment is a photoproduction experiment in Hall D at Jefferson Lab that is being commissioned for use with the new 12 GeV accelerator. The purpose of the experiment is to search for Hybrid mesons, which are mesons with quark and gluon degrees of freedom. The barrel calorimeter of GlueX is instrumented with 4000 large-area (1.2 x 1.2 cm(2)) silicon photomultipliers (SiPMS). These photon sensors have properties similar to vacuum photomultipliers, but are unaffected by high magnetic fields. In our experiment they operate in magnetic fields exceeding 1T. After extensive tests with a variety of sensors, we chose the S12045(X) custom SiPM arrays manufactured by Hamamatsu Corporation, also known as multi-pixel photon counters (MPPCs). We will give an overview of this new technology as well as the experience gained during two commissioning periods with beam. C1 [Smith, Elton S.; GlueX Collaboration] Jefferson Lab, Newport News, VA 23606 USA. RP Smith, ES (reprint author), Jefferson Lab, Newport News, VA 23606 USA. EM elton@jlab.org NR 17 TC 1 Z9 1 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 978-0-7354-1411-2 J9 AIP CONF PROC PY 2016 VL 1753 AR 070006 DI 10.1063/1.4955369 PG 8 WC Physics, Applied; Physics, Nuclear SC Physics GA BF4FP UT WOS:000380822000029 ER PT J AU Smith, TM Unocic, RR Deutchman, H Mills, MJ AF Smith, Timothy M. Unocic, Raymond R. Deutchman, Hallee Mills, Michael J. TI Creep deformation mechanism mapping in nickel base disk superalloys SO MATERIALS AT HIGH TEMPERATURES LA English DT Article DE Ni-base Superalloys; SEM; TEM; STEM; Mechanism map; Creep deformation ID NI-BASED SUPERALLOY; INTERMEDIATE TEMPERATURE CREEP; STACKING-FAULT FORMATION; SINGLE-CRYSTAL; DISLOCATION RIBBONS; GAMMA'-PHASE; CMSX-4; 750-DEGREES-C; SEGREGATION; STRESS AB The creep deformation mechanisms at intermediate temperature in ME3, a modern Ni-based disk superalloy, were investigated using diffraction contrast imaging. Both conventional transmission electron microscopy (TEM) and scanning TEM were utilised. Distinctly different deformation mechanisms become operative during creep at temperatures between 677-815 degrees C and at stresses ranging from 274 to 724 MPa. Both polycrystalline and single-crystal creep tests were conducted. The single-crystal tests provide new insight into grain orientation effects on creep response and deformation mechanisms. Creep at lower temperatures (<= 760 degrees C) resulted in the thermally activated shearing modes such as microtwinning, stacking fault ribbons and isolated superlattice extrinsic stacking faults. In contrast, these faulting modes occurred much less frequently during creep at 815 degrees C under lower applied stresses. Instead, the principal deformation mode was dislocation climb bypass. In addition to the difference in creep behaviour and creep deformation mechanisms as a function of stress and temperature, it was also observed that microstructural evolution occurs during creep at 760 degrees C and above, where the secondary gamma' coarsened and the tertiary gamma' precipitates dissolved. Based on this work, a creep deformation mechanism map is proposed, emphasising the influence of stress and temperature on the underlying creep mechanisms. C1 [Smith, Timothy M.; Deutchman, Hallee; Mills, Michael J.] Ohio State Univ, Ctr Electron Microscopy & Anal, Columbus, OH 43212 USA. [Unocic, Raymond R.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Smith, TM (reprint author), Ohio State Univ, Ctr Electron Microscopy & Anal, Columbus, OH 43212 USA. EM smith.5881@osu.edu FU NSF; DMREF program [1534826]; GE Aviation through the GE University Strategic Alliance (USA) program; Oak Ridge National Laboratory's Center for Nanophase Materials Sciences, U.S. Department of Energy (DOE), Office of Science User Facility FX MJM acknowledges the support of NSF and the DMREF program under grant # 1534826. TMS acknowledges the support of GE Aviation for their support of this work through the GE University Strategic Alliance (USA) program. RRU acknowledges research supported by Oak Ridge National Laboratory's Center for Nanophase Materials Sciences, which is a U.S. Department of Energy (DOE), Office of Science User Facility. TMS acknowledges Lee Casalena for helping create and format figures. NR 39 TC 1 Z9 1 U1 11 U2 13 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0960-3409 EI 1878-6413 J9 MATER HIGH TEMP JI Mater. High Temp. PY 2016 VL 33 IS 4-5 SI SI BP 372 EP 383 DI 10.1080/09603409.2016.1180858 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DS2AD UT WOS:000380515300010 ER PT S AU Chong, KE Wang, L Staude, I James, A Dominguez, J Subramania, GS Liu, S Decker, M Neshev, DN Brener, I Kivshar, YS AF Chong, Katie E. Wang, Lei Staude, Isabelle James, Anthony Dominguez, Jason Subramania, Ganapathi S. Liu, Sheng Decker, Manuel Neshev, Dragomir N. Brener, Igal Kivshar, Yuri S. BE Boardman, AD Johnson, NP MacDonald, KF Ozbay, E TI Highly-efficient all-dielectric Huygens' surface holograms (Conference Presentation) SO METAMATERIALS X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Metamaterials X CY APR 04-07, 2016 CL Brussels, BELGIUM SP SPIE, Brussels Photon Team, Res Fdn Flanders, Visit Brussels C1 [Chong, Katie E.; Wang, Lei; Decker, Manuel; Neshev, Dragomir N.; Kivshar, Yuri S.] Australian Natl Univ, Canberra, ACT 0200, Australia. [Staude, Isabelle] Univ Jena, D-07745 Jena, Germany. [James, Anthony; Dominguez, Jason; Subramania, Ganapathi S.; Liu, Sheng; Brener, Igal] Sandia Natl Labs, Livermore, CA 94550 USA. RP Chong, KE (reprint author), Australian Natl Univ, Canberra, ACT 0200, Australia. NR 4 TC 0 Z9 0 U1 3 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 978-1-5106-0128-4 J9 PROC SPIE PY 2016 VL 9883 AR 988308 DI 10.1117/12.2227089 PG 1 WC Materials Science, Multidisciplinary; Optics; Physics, Applied SC Materials Science; Optics; Physics GA BF4JE UT WOS:000381076600006 ER PT S AU Salles, L Swacek, C Lacayo, RM Reuss, P Brake, MRW Schwingshackl, CW AF Salles, L. Swacek, C. Lacayo, R. M. Reuss, P. Brake, M. R. W. Schwingshackl, C. W. BE Kerschen, G TI Numerical Round Robin for Prediction of Dissipation in Lap Joints SO NONLINEAR DYNAMICS, VOL 1 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 33rd IMAC Conference and Exposition on Structural Dynamics CY FEB 02-05, 2015 CL Orlando, FL SP IMAC, Soc Expt Mech DE Nonlinear damping; Nonlinear vibration; Numerical modelling; Bolted joints; Lap joints ID BLADED DISKS; VIBRATION ANALYSIS; DYNAMICS; MODEL AB Joints, interfaces, and frictional contact between two substructures can be modelled as discrete nonlinearities that connect the substructures. Over the past decade, a number of phenomenologically different approaches to modelling and simulating the dynamics of a jointed structure have been proposed. This research focuses on assessing multiple modelling techniques to predict the nonlinear dynamic behaviour of a bolted lab joint, including frequency based sub-structuring methods, harmonic balance methods, discontinuous basis function methods, and high fidelity FEA approaches. The regimes in which each method is best suited are identified, and recommendations are made for how to select a modelling method and for advancing numerical modelling of discrete nonlinearities. C1 [Salles, L.; Schwingshackl, C. W.] Imperial Coll London, Mech Engn, London, England. [Swacek, C.; Reuss, P.] Univ Stuttgart, Inst Appl & Expt Mech, Stuttgart, Germany. [Lacayo, R. M.; Brake, M. R. W.] Sandia Natl Labs, Component Sci & Mech, POB 5800, Albuquerque, NM 87185 USA. RP Schwingshackl, CW (reprint author), Imperial Coll London, Mech Engn, London, England. EM c.schwingshackl@imperial.ac.uk NR 20 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-15221-9; 978-3-319-15220-2 J9 C PROC SOC EXP MECH PY 2016 BP 53 EP 64 DI 10.1007/978-3-319-15221-9_4 PG 12 WC Engineering, Mechanical SC Engineering GA BF4WU UT WOS:000381753700004 ER PT S AU Smith, S Bilbao-Ludena, JC Catalfamo, S Brake, MRW Reuss, P Schwingshackl, CW AF Smith, S. Bilbao-Ludena, J. C. Catalfamo, S. Brake, M. R. W. Reuss, P. Schwingshackl, C. W. BE Kerschen, G TI The Effects of Boundary Conditions, Measurement Techniques, and Excitation Type on Measurements of the Properties of Mechanical Joints SO NONLINEAR DYNAMICS, VOL 1 SE Conference Proceedings of the Society for Experimental Mechanics Series LA English DT Proceedings Paper CT 33rd IMAC Conference and Exposition on Structural Dynamics CY FEB 02-05, 2015 CL Orlando, FL SP IMAC, Soc Expt Mech DE Bolted joints; Nonlinear vibration; Experimental setup; Measurement effects; Testing guidelines ID SYSTEMS AB This paper investigates how the responses of mechanical joints are influenced by using different experimental setups. The experiments are conducted on both a monolithic beam and a bolted beam, and the beams are excited by hammer tests and a shaker. Multiple boundary conditions are also studied. It is found that the hammer tests performed on the "free" boundary condition monolithic beam (for multiple bungee lengths and positions) had a negligible influence on the system in terms of damping ratio and frequency variation. Multiple sensors attached to the monolithic beam are studied; the effect of multiple accelerometers manifests as a significant shift of frequency and damping due to the additional mass. In the case of the jointed beam, both mirror-like and rough interfaces are used. Several sets of different interface pairs, bolt torques, bolt preloads, excitation frequency sweep rates and bolt tightening orders are considered in this study. The time varying changes in stiffening and damping are measured by testing multiple combinations of the experimental setup at different levels of excitation. The results showed that the mirror-like surface finish for the interface has higher damping values compared to the rough surface across multiple bolt torque scenarios (such as preload and tightening order) and modes of vibration. Guidelines for a more reliable measurement of the properties of a mechanical joint are made based on the results of this research. C1 [Smith, S.] Univ Maryland Baltimore Cty, Baltimore, MD 21228 USA. [Bilbao-Ludena, J. C.] Tech Univ Berlin, Berlin, Germany. [Catalfamo, S.; Reuss, P.] Univ Stuttgart, Stuttgart, Germany. [Brake, M. R. W.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Schwingshackl, C. W.] Imperial Coll London, London, England. RP Brake, MRW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mrbrake@sandia.gov; c.schwingshackl@imperial.ac.uk NR 6 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 2191-5644 BN 978-3-319-15221-9; 978-3-319-15220-2 J9 C PROC SOC EXP MECH PY 2016 BP 415 EP 431 DI 10.1007/978-3-319-15221-9_36 PG 17 WC Engineering, Mechanical SC Engineering GA BF4WU UT WOS:000381753700036 ER PT S AU Geissel, M Awe, TJ Bliss, DE Campbell, ME Gomez, MR Harding, E Harvey-Thompson, AJ Hansen, SB Jennings, C Kimmel, MW Knapp, P Lewis, SM McBride, RD Peterson, K Schollmeier, M Scoglietti, DJ Sefkow, AB Shores, JE Sinars, DB Slutz, SA Smith, IC Speas, CS Vesey, RA Porter, JL AF Geissel, Matthias Awe, T. J. Bliss, D. E. Campbell, M. E. Gomez, M. R. Harding, E. Harvey-Thompson, A. J. Hansen, S. B. Jennings, C. Kimmel, M. W. Knapp, P. Lewis, S. M. McBride, R. D. Peterson, K. Schollmeier, M. Scoglietti, D. J. Sefkow, A. B. Shores, J. E. Sinars, D. B. Slutz, S. A. Smith, I. C. Speas, C. S. Vesey, R. A. Porter, J. L. BE Vodopyanov, KL Schepler, KL TI Nonlinear Laser-Plasma Interaction in Magnetized Liner Inertial Fusion SO NONLINEAR FREQUENCY GENERATION AND CONVERSION: MATERIALS, DEVICES, AND APPLICATIONS XV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Nonlinear Frequency Generation and Conversion - Materials, Devices, and Applications XV CY FEB 15-17, 2016 CL San Francisco, CA SP SPIE DE MagLIF; LPI; laser plasma interaction; SBS; high energy lasers ID RAMAN-SCATTERING; PHASE PLATES; SUPPRESSION; LIGHT AB Sandia National Laboratories is pursuing a variation of Magneto-Inertial Fusion called Magnetized Liner Inertial Fusion, or MagLIF. The MagLIF approach requires magnetization of the deuterium fuel, which is accomplished by an initial external B-Field and laser-driven pre-heat. While magnetization is crucial to the concept, it is challenging to couple sufficient energy to the fuel, since laser-plasma instabilities exist, and a compromise between laser spot size, laser entrance window thickness, and fuel density must be found. Nonlinear processes in laser plasma interaction, or laser-plasma instabilities (LPI), complicate the deposition of laser energy by enhanced absorption, backscatter, filamentation and beam-spray. Key LPI processes are determined, and mitigation methods are discussed. Results with and without improvement measures are presented. C1 [Geissel, Matthias; Awe, T. J.; Bliss, D. E.; Gomez, M. R.; Harding, E.; Harvey-Thompson, A. J.; Hansen, S. B.; Jennings, C.; Kimmel, M. W.; Knapp, P.; McBride, R. D.; Peterson, K.; Schollmeier, M.; Scoglietti, D. J.; Sefkow, A. B.; Shores, J. E.; Sinars, D. B.; Slutz, S. A.; Smith, I. C.; Speas, C. S.; Vesey, R. A.; Porter, J. L.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Campbell, M. E.] Laser Energet Lab, Rochester, NY USA. [Lewis, S. M.] Univ Texas Austin, Austin, TX 78712 USA. RP Geissel, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 14 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 978-1-62841-966-5 J9 PROC SPIE PY 2016 VL 9731 AR UNSP 973100 DI 10.1117/12.2218577 PG 7 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA BF5DD UT WOS:000381883700015 ER PT J AU Begoli, E Frasure, C Dunning, T AF Begoli, Edmon Frasure, Charlie Dunning, Ted GP IEEE TI Real-Time Discovery Services over Large, Heterogeneous and Complex Healthcare Datasets using Schema-less, Column-oriented Methods SO PROCEEDINGS 2016 IEEE SECOND INTERNATIONAL CONFERENCE ON BIG DATA COMPUTING SERVICE AND APPLICATIONS (BIGDATASERVICE 2016) LA English DT Proceedings Paper CT 2nd IEEE International Conference on Big Data Computing Service and Applications (BigDataService) CY MAR 29-APR 01, 2016 CL Oxford, ENGLAND SP IEEE, IEEE Comp Soc, San Jose State Univ, Arizona State Univ, NW Polytechn Univ, Peking Univ, Deakin Univ, Univ Leeds, Taiyuan Univ Technol, Univ Technol Sydney, Univ Ottawa, Beihang Univ, ITC NSTI DE Schema-less data management; Column Oriented Stores; Apache Parquet; Apache Drill; Data Analysis; Services Platform; Healthcare AB We present a service platform for schema-leess exploration of data and discovery of patient-related statistics from healthcare data sets. The architecture of this platform is motivated by the need for fast, schema-less, and flexible approaches to SQL-based exploration and discovery of information embedded in the common, heterogeneously structured healthcare data sets and supporting components (electronic health records, practice management systems, etc.) The motivating use cases described in the paper are clinical trials candidate discovery, and a treatment effectiveness analysis. Following the use cases, we discuss the key features and software architecture of the platform, the underlying core components (Apache Parquet, Drill, the web services server), and the runtime profiles and performance characteristics of the platform. We conclude by showing dramatic speedup with some approaches, and the performance tradeoffs and limitations of others. C1 [Begoli, Edmon] Univ Tennessee, Oak Ridge Natl Lab, JICS, Oak Ridge, TN 37830 USA. [Begoli, Edmon; Frasure, Charlie] PYA Analyt, 2220 Sutherland Ave, Knoxville, TN 37919 USA. [Dunning, Ted] MapR Technol, 350 Holger Way, San Jose, CA USA. RP Begoli, E (reprint author), Univ Tennessee, Oak Ridge Natl Lab, JICS, Oak Ridge, TN 37830 USA.; Begoli, E (reprint author), PYA Analyt, 2220 Sutherland Ave, Knoxville, TN 37919 USA. EM ebegoli@utk.edu; cfrasure@pyaanalytics.com; tdunning@maprtech.com OI Begoli, Edmon/0000-0002-2173-3663 NR 23 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-5090-2251-9 PY 2016 BP 257 EP 264 DI 10.1109/BigDataService.2016.29 PG 8 WC Computer Science, Information Systems; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BF4WE UT WOS:000381731800034 ER PT S AU Kamal, I Yunus, SM Datta, TK Zakaria, AKM Das, AK Aktar, S Hossain, S Berliner, R Yelon, WB AF Kamal, I. Yunus, S. M. Datta, T. K. Zakaria, A. K. M. Das, A. K. Aktar, S. Hossain, S. Berliner, R. Yelon, W. B. BE Ali, M Akanda, MAS Morshed, AKMM TI A High Performance Neutron Powder Diffractometer at 3MW Triga Mark-II Research Reactor in Bangladesh SO PROCEEDINGS OF THE 11TH INTERNATIONAL CONFERENCE ON MECHANICAL ENGINEERING (ICME 2015) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 11th International Conference on Mechanical Engineering (ICME) CY DEC 18-20, 2015 CL Bangladesh Univ Engn & Technol, Dhaka, BANGLADESH HO Bangladesh Univ Engn & Technol ID DIFFRACTION; REFINEMENT AB A high performance neutron diffractometer called Savar Neutron Diffractometer (SAND) was built and installed at radial beam port-2 of TRIGA Mark II research reactor at AERE, Savar, Dhaka, Bangladesh. Structural studies of materials are being done by this technique to characterize materials crystallograpohically and magnetically. The micro-structural information obtainable by neutron scattering method is very essential for determining its technological applications. This technique is unique for understanding the magnetic behavior in magnetic materials. Ceramic, steel, electronic and electric industries can be benefited from this facility for improving their products and fabrication process. This instrument consists of a Popovicimonochromator with a large linear position sensitive detector array. The monochromator consists of nine blades of perfect single crystal of silicon with 6mm thickness each. The monochromator design was optimized to provide maximum flux on 3mm diameter cylindrical sample with a relatively flat angular dependence of resolution. Five different wave lengths can be selected by orienting the crystal at various angles. A sapphire filter was used before the primary collimator to minimize the first neutron. The detector assembly is composed of 15 linear position sensitive proportional counters placed at either 1.1 m or 1.6 m from the sample position and enclosed in a air pad supported high density polythene shield. Position sensing is obtained by charge division using 1-wide NIM position encoding modules (PEM). The PEMs communicate with the host computer via USB. The detector when placed at 1.1 m, subtends 30 degrees (2) at each step and covers 120 degrees in 4 steps. When the detector is placed at 1.6 m it subtends 20 degrees at each step and covers 120 degrees in 6 steps. The instrument supports both low and high temperature sample environment. The instrument supports both low and high temperature sample environment. The diffractometer is a state-of-the art technology for diffraction study in our country. C1 [Kamal, I.; Yunus, S. M.; Datta, T. K.; Zakaria, A. K. M.; Das, A. K.; Aktar, S.; Hossain, S.] Atom Energy Res Estab, Inst Nucl Sci & Technol, Dhaka, Bangladesh. [Berliner, R.] Instrumentat Associates, Durham, NC USA. [Yelon, W. B.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Kamal, I (reprint author), Atom Energy Res Estab, Inst Nucl Sci & Technol, Dhaka, Bangladesh. EM imtiaz_kamal26@yahoo.com; yunussm11@yahoo.com; tk_datta4@yahoo.com; RB@instrumentationAssociates.com; yelonwb@hotmail.com NR 5 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 978-0-7354-1412-9 J9 AIP CONF PROC PY 2016 VL 1754 AR 060013 DI 10.1063/1.4958454 PG 6 WC Engineering, Mechanical; Physics, Applied SC Engineering; Physics GA BF4FD UT WOS:000380806900111 ER PT J AU Leng, F Gerber, IC Lecante, P Bacsa, W Miller, J Gallagher, JR Moldovan, S Girleanu, M Axet, MR Serp, P AF Leng, F. Gerber, I. C. Lecante, P. Bacsa, W. Miller, J. Gallagher, J. R. Moldovan, S. Girleanu, M. Axet, M. R. Serp, P. TI Synthesis and structure of ruthenium-fullerides SO RSC ADVANCES LA English DT Article ID TRANSITION-METAL FULLERIDES; FULLERENE-BASED MATERIALS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; AB-INITIO; HYDROGEN GAS; PALLADIUM NANOPARTICLES; ELECTRONIC-PROPERTIES; C-60; BUCKMINSTERFULLERENE AB We report a simple and original procedure for preparing Ru-C-60 polymeric chains, which spontaneously self-assemble as polymeric spherical particles. The size of the particles can be controlled by the choice of the solvent used during the reaction. In addition, these Ru-C-60 polymeric spheres can be surface decorated with Ru nanoparticles using the same mild reaction conditions by changing the Ru/C-60 ratio. Several techniques (TEM in high resolution, scanning and electron tomography modes, IR, NMR, Raman, WAXS, EXAFS and XPS) together with theoretical calculations allowed us to have an insight into the structure of these Ru-C-60 species. C1 [Leng, F.; Axet, M. R.; Serp, P.] Composante ENSIACET, CNRS, LCC, 4 Allee Emile Monso,BP 44099, F-31030 Toulouse 4, France. [Leng, F.; Axet, M. R.; Serp, P.] Univ Toulouse, UPS, INPT, F-31077 Toulouse 4, France. [Gerber, I. C.] Univ Toulouse, INSA, UPS, CNRS,LPCNO,IRSAMC, 135 Ave Rangueil, F-31077 Toulouse, France. [Lecante, P.; Bacsa, W.] CNRS, UPR 8011, Ctr Elaborat Mat & Etud Struct, 29 Rue Jeanne Marvig,BP 4347, F-31055 Toulouse, France. [Miller, J.; Gallagher, J. R.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave,Bldg 200, Argonne, IL 60429 USA. [Moldovan, S.; Girleanu, M.] UdS, CNRS, UMR 7504, Inst Phys & Chim Mat Strasbourg, 23 Rue Loess,BP43, F-67034 Strasbourg 2, France. [Girleanu, M.] Inst Rech Biomed Armees, Unite Imagerie, Pl Med Gen Inspecteur Valerie Andre,BP73, F-91220 Bretigny Sur Orge, France. RP Axet, MR; Serp, P (reprint author), Composante ENSIACET, CNRS, LCC, 4 Allee Emile Monso,BP 44099, F-31030 Toulouse 4, France.; Axet, MR; Serp, P (reprint author), Univ Toulouse, UPS, INPT, F-31077 Toulouse 4, France. EM rosa.axet@lcc-toulouse.fr; philippe.serp@ensiacet.fr RI Axet, M. Rosa/E-9654-2015; Gerber, Iann/K-1622-2016 OI Axet, M. Rosa/0000-0002-2483-1533; Gerber, Iann/0000-0001-5091-2655 FU Centre National de la Recherche Scientifique (CNRS); program of China Scholarships Council (CSC); Calcul en Midi-Pyrenees initiative-CALMIP [p0812]; CINES [x2015096649]; GENCI-IDRIS [x2015096649] FX This work was supported by the Centre National de la Recherche Scientifique (CNRS), which we gratefully acknowledge. The authors acknowledge financial support from the program of China Scholarships Council (CSC) for F. L. grant. I. C. Gerber also acknowledges the Calcul en Midi-Pyrenees initiative-CALMIP (Project p0812) for allocations of computer time. Part of this work was also performed using HPC resources from GENCI-IDRIS and CINES (Project x2015096649). NR 82 TC 2 Z9 2 U1 10 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 2016 VL 6 IS 73 BP 69135 EP 69148 DI 10.1039/c6ra12023g PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA DT5HJ UT WOS:000381512600065 ER PT J AU Bian, X Kim, C Karniadakis, GE AF Bian, Xin Kim, Changho Karniadakis, George Em TI 111 years of Brownian motion SO SOFT MATTER LA English DT Review ID VELOCITY AUTOCORRELATION FUNCTION; ASYMPTOTIC TIME BEHAVIOR; VISCOUS COMPRESSIBLE FLUID; FLOW BOUNDARY-CONDITIONS; MARKOV RANDOM-PROCESSES; FORCE-COUPLING METHOD; IRREVERSIBLE-PROCESSES; STATISTICAL-MECHANICS; COMPLEX FLUIDS; COLLOIDAL SUSPENSIONS AB We consider the Brownian motion of a particle and present a tutorial review over the last 111 years since Einstein's paper in 1905. We describe Einstein's model, Langevin's model and the hydrodynamic models, with increasing sophistication on the hydrodynamic interactions between the particle and the fluid. In recent years, the effects of interfaces on the nearby Brownian motion have been the focus of several investigations. We summarize various results and discuss some of the controversies associated with new findings about the changes in Brownian motion induced by the interface. C1 [Bian, Xin; Karniadakis, George Em] Brown Univ, Div Appl Math, Providence, RI 02912 USA. [Kim, Changho] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Bian, X; Karniadakis, GE (reprint author), Brown Univ, Div Appl Math, Providence, RI 02912 USA. EM xin_bian@brown.edu; changhokim@lbl.gov; george_karniadakis@brown.edu RI Bian, Xin/N-2596-2014 OI Bian, Xin/0000-0002-7641-4715 FU Computational Mathematics Program within the Department of Energy office of Advanced Scientific Computing Research as part of the Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4); U.S. Army Research Laboratory; National Institutes of Health [U01HL114476, U01HL116323] FX We would like to thank Prof. Bruce Caswell for a critical reading of the manuscript. This work was primarily supported by the Computational Mathematics Program within the Department of Energy office of Advanced Scientific Computing Research as part of the Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4). This work was also sponsored by the U.S. Army Research Laboratory and was accomplished under Cooperative Agreement Number W911NF-12-2-0023. This research was also partially supported by the grants U01HL114476 and U01HL116323 from the National Institutes of Health. NR 201 TC 3 Z9 3 U1 8 U2 16 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 2016 VL 12 IS 30 BP 6331 EP 6346 DI 10.1039/c6sm01153e PG 16 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Multidisciplinary; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA DT5EP UT WOS:000381504400001 PM 27396746 ER PT S AU Azad, AK Whitley, VH Brown, KE Ahmed, T Sorensen, CJ Moore, DS AF Azad, Abul K. Whitley, Von H. Brown, Kathryn E. Ahmed, Towfiq Sorensen, Christian J. Moore, David S. BE Anwar, MF Crowe, TW Manzur, T TI Temperature dependent terahertz properties of energetic materials SO TERAHERTZ PHYSICS, DEVICES, AND SYSTEMS X: ADVANCED APPLICATIONS IN INDUSTRY AND DEFENSE SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Terahertz Physics, Devices, and Systems X - Advanced Applications in Industry and Defense CY APR 17-19, 2016 CL Baltimore, MD SP SPIE DE Terahertz spectroscopy; Explosives; Energetic materials ID TIME-DOMAIN SPECTROSCOPY; FAR-INFRARED SPECTRA; THEORETICAL-ANALYSIS; SINGLE-CRYSTALS; EXPLOSIVES; PSEUDOPOTENTIALS; IDENTIFICATION; DATABASE; SOLIDS; PETN AB Reliable detection of energetic materials is still a formidable challenge which requires further investigation. The remote standoff detection of explosives using molecular fingerprints in the terahertz spectral range has been an evolving research area for the past two decades. Despite many efforts, identification of a particular explosive remains difficult as the spectral fingerprints often shift due to the working conditions of the sample such as temperature, crystal orientation, presence of binders, etc. In this work, we investigate the vibrational spectrum of energetic materials including RDX, PETN, AN, and 1,3-DNB diluted in a low loss PTFE host medium using terahertz time domain spectroscopy (THz-TDS) at cryogenic temperatures. The measured absorptions of these materials show spectral shifts of their characteristic peaks while changing their operating temperature from 300 to 7.5 K. We have developed a theoretical model based on first principles methods, which is able to predict most of the measured modes in 1, 3-DNB between 0.3 to 2.50 THz. These findings may further improve the security screening of explosives. C1 [Azad, Abul K.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Whitley, Von H.] Los Alamos Natl Lab, Primary Phys, Los Alamos, NM 87545 USA. [Brown, Kathryn E.; Sorensen, Christian J.; Moore, David S.] Los Alamos Natl Lab, Shock & Detonat Phys, Div M, Los Alamos, NM 87545 USA. [Ahmed, Towfiq] Los Alamos Natl Lab, Phys Condensed Matter, Div T, Los Alamos, NM 87545 USA. RP Azad, AK (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. OI Azad, Abul/0000-0002-7784-7432 NR 49 TC 0 Z9 0 U1 8 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 978-1-5106-0097-3 J9 PROC SPIE PY 2016 VL 9856 AR UNSP 98560W DI 10.1117/12.2225528 PG 15 WC Optics; Physics, Applied SC Optics; Physics GA BF4WC UT WOS:000381729300015 ER PT S AU Hackett, S Albrecht, AR Yang, Z Cederberg, JG Sheik-Bahae, M Johnson, R Drummond, J AF Hackett, Shawn Albrecht, Alexander R. Yang, Zhou Cederberg, Jeffrey G. Sheik-Bahae, Mansoor Johnson, Robert Drummond, Jack BE Wilcox, KG TI Vertical external cavity surface emitting lasers for sodium guidestar applications and improvement of current guidestar systems SO VERTICAL EXTERNAL CAVITY SURFACE EMITTING LASERS (VECSELS) VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Vertical External Cavity Surface Emitting Lasers (VECSELs) VI CY FEB 15-16, 2016 CL San Francisco, CA SP SPIE, Coherent Inc DE guidestar modeling; sodium guidestar; Starfire Optical Range; VECSEL; OPSL guidestar; VECSEL guidestar AB To date, three types of laser sources have been used to excite mesospheric sodium atoms to use as a sodium guidestar for adaptive optics (AO). All these sources have inherent challenges and a possible fourth source is to utilize a frequency doubled Vertical External Cavity Surface Emitting Laser (VECSEL). Such a VECSEL presents output efficiency above 20% with power in excess of 20 W. Modelling is also presented to validate the efficacy of developing VECSEL guidestar systems for use with current guidestar systems or as a stand-alone guidestar. The model agrees with the data collected with the 3.5 m telescope and narrowband laser guidestar at Starfire Optical Range. C1 [Hackett, Shawn; Johnson, Robert; Drummond, Jack] Air Force Res Lab, SOR, Directed Energy Directorate, Kirtland AFB, NM 87117 USA. [Albrecht, Alexander R.; Yang, Zhou; Sheik-Bahae, Mansoor] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Cederberg, Jeffrey G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Cederberg, Jeffrey G.] MIT, Lincoln Lab, Lexington, MA 02420 USA. RP Hackett, S (reprint author), Air Force Res Lab, SOR, Directed Energy Directorate, Kirtland AFB, NM 87117 USA. EM shawn.hackett.1@us.af.mil NR 13 TC 1 Z9 1 U1 4 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 978-1-62841-969-6 J9 PROC SPIE PY 2016 VL 9734 AR UNSP 97340Y DI 10.1117/12.2216853 PG 10 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BF5DF UT WOS:000381884900024 ER PT S AU Yang, Z Albrecht, AR Cederberg, JG Hackett, S Sheik-Bahae, M AF Yang, Zhou Albrecht, Alexander R. Cederberg, Jeffrey G. Hackett, Shawn Sheik-Bahae, Mansoor BE Wilcox, KG TI Broadly tunable DBR-free semiconductor disk lasers SO VERTICAL EXTERNAL CAVITY SURFACE EMITTING LASERS (VECSELS) VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Vertical External Cavity Surface Emitting Lasers (VECSELs) VI CY FEB 15-16, 2016 CL San Francisco, CA SP SPIE, Coherent Inc DE Semiconductor Disk Laser; Optically Pumped Semiconductor Laser; VECSEL; DBR-free; tunable laser ID SURFACE-EMITTING LASERS; HIGH-POWER; VECSEL AB We report a DBR-free semiconductor disk lasers centered at 1160 nm with a tuning range of 78 nm, and ongoing effort on our DBR-free SDL centered at 1040 nm. Compared with conventional semiconductor disk lasers, DBR-free SDLs have a broader effective gain bandwidth. In CW operation, 2.5 W output power at 1160 nm and 6 W at 1055 nm were collected from the two lasers without thermal-rollover. Intracavity loss mitigation, currently underway, should improve power scaling and efficiency in these systems. C1 [Yang, Zhou; Albrecht, Alexander R.; Hackett, Shawn; Sheik-Bahae, Mansoor] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Cederberg, Jeffrey G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Hackett, Shawn] US Air Force, Res Lab, Directed Energy Directorate, SOR, Kirtland AFB, NM 87117 USA. RP Sheik-Bahae, M (reprint author), Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. EM msb@unm.edu NR 26 TC 2 Z9 2 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 978-1-62841-969-6 J9 PROC SPIE PY 2016 VL 9734 AR UNSP 97340I DI 10.1117/12.2213348 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BF5DF UT WOS:000381884900010 ER PT S AU Ray, J Shin, I Ilgu, M Bendickson, L Gupta, V Kraus, GA Nilsen-Hamilton, M AF Ray, J. Shin, I. Ilgu, M. Bendickson, L. Gupta, V. Kraus, G. A. Nilsen-Hamilton, M. BE Filonov, GS Jaffrey, SR TI IMAGEtags: Quantifying mRNA Transcription in Real Time with Multiaptamer Reporters SO VISUALIZING RNA DYNAMICS IN THE CELL SE Methods in Enzymology LA English DT Review; Book Chapter ID GENE-EXPRESSION; SEQUENCE; REVEALS; YEAST; CELLS AB Cell communications are essential to the organization, development, and maintenance of multicellular organisms. Much of this communication involves changes in RNA transcription and is dynamic. Most methods for studying transcription require interrupting the continuity of cellular function by sacrificing the communicating cells and capturing gene expression information by periodic sampling of individual cells or the population. The IMAGEtag technology to quantify RNA levels in living cells, demonstrated here in yeast, allows individual cells to be tracked over time as they respond to different environmental cues. IMAGEtags are short RNAs consisting of strings of a variable number of tandem aptamers that bind small-molecule ligands. The aptamer strings can vary in length and in configuration of aptamer constituents, such as to contain multiples of the same aptamer or two or more different aptamers that alternate in their occurrence. A minimum effective length is about five aptamers. The maximum length is undefined. The small-molecule ligands are enabled for imaging as fluorophore conjugates. For each IMAGEtag, two fluorophore conjugates are provided, which are FRET pairs. When a cell expresses an RNA containing an IMAGEtag sequence, the aptamers bind their ligands and bring the fluorophores into sufficiently close proximity to allow FRET. The background fluorescence of both fluorophores is minimal in the FRET channel. These features endow IMAGEtags with the sensitivity to report on mRNA expression levels in living cells. C1 [Ray, J.] Cornell Univ, Ithaca, NY 14850 USA. [Shin, I.] Natl Forens Serv, Seoul, South Korea. [Ilgu, M.; Nilsen-Hamilton, M.] Aptalogic Inc, Ames, IA USA. [Bendickson, L.; Kraus, G. A.; Nilsen-Hamilton, M.] US DOE, Ames Lab, Ames, IA 50011 USA. [Bendickson, L.; Kraus, G. A.; Nilsen-Hamilton, M.] Iowa State Univ, Ames, IA 50011 USA. [Gupta, V.] Scripps Res Inst, Jupiter, FL USA. RP Ray, J (reprint author), Cornell Univ, Ithaca, NY 14850 USA.; Nilsen-Hamilton, M (reprint author), Aptalogic Inc, Ames, IA USA.; Nilsen-Hamilton, M (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.; Nilsen-Hamilton, M (reprint author), Iowa State Univ, Ames, IA 50011 USA. EM jr839@cornell.edu; marit@iastate.edu NR 20 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-802488-1; 978-0-12-802292-4 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2016 VL 572 BP 193 EP 213 DI 10.1016/bs.mie.2016.02.028 PG 21 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BF5IG UT WOS:000382016100009 PM 27241755 ER PT S AU Lin, YZ Kandel, Y Zotta, M Lifshin, E AF Lin, Youzuo Kandel, Yudhishthir Zotta, Matthew Lifshin, Eric GP IEEE TI SEM Resolution Improvement Using Semi-Blind Restoration with Hybrid L-1-L-2 Regularization SO 2016 IEEE SOUTHWEST SYMPOSIUM ON IMAGE ANALYSIS AND INTERPRETATION (SSIAI) SE IEEE Southwest Symposium on Image Analysis and Interpretation LA English DT Proceedings Paper CT IEEE Southwest Symposium on Image Analysis and Interpretation (SSIAI) CY MAR 06-08, 2016 CL Santa Fe, NM SP IEEE, IEEE Comp Soc DE Scanning Electron Microscope; Image Restoration; Blind Deconvolution; Total-Variation Regularization; Tikhonov Regularization ID IMAGE-RESTORATION; MINIMIZATION; ALGORITHM AB Scanning electron microscopy (SEM) resolution is limited by many factors that include sample specific properties, microscope stability, noise, the three dimensional nature of the sample and the excitation volume, and the spatial distribution of electrons in the probe known as the point spread function (PSF). If all, but the latter are optimized, the loss of resolution is principally due to blurring by the convolution of the PSF with the structure of interest. Image resolution can then be increased by deconvolution combined with the mathematical process known as regularization. To accomplish this task, a novel high resolution semi-blind image restoration technique incorporating hybrid L-1 and L-2 regularization terms has been developed. The original optimization is divided into the efficient solution of three subproblems, and has been validated with a variety of actual SEM images. C1 [Lin, Youzuo] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Kandel, Yudhishthir] Nanojehm Inc, Albany, NY 12203 USA. [Zotta, Matthew; Lifshin, Eric] SUNY Polytech Inst, Coll Nanoscale Sci, Albany, NY 12203 USA. [Zotta, Matthew; Lifshin, Eric] SUNY Polytech Inst, Coll Engn, Albany, NY 12203 USA. RP Lin, YZ (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM ylin@lanl.gov NR 16 TC 0 Z9 0 U1 3 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1550-5782 BN 978-1-4673-9919-7 J9 IEEE SW SYMP IMAG PY 2016 BP 33 EP 36 PG 4 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic; Imaging Science & Photographic Technology SC Computer Science; Engineering; Imaging Science & Photographic Technology GA BF4XD UT WOS:000381755500009 ER PT S AU Theiler, J AF Theiler, James GP IEEE TI Generic target response as a measure of regression accuracy in multispectral background estimation SO 2016 IEEE SOUTHWEST SYMPOSIUM ON IMAGE ANALYSIS AND INTERPRETATION (SSIAI) SE IEEE Southwest Symposium on Image Analysis and Interpretation LA English DT Proceedings Paper CT IEEE Southwest Symposium on Image Analysis and Interpretation (SSIAI) CY MAR 06-08, 2016 CL Santa Fe, NM SP IEEE, IEEE Comp Soc DE multispectral imagery; hyperspectral imagery; signal processing; anomaly detection; target detection AB This paper introduces a measure of regression fidelity that is directly linked to target detection performance in multispectral and hyperspectral imagery. The measure called generic target response - maintains this link to target detection without specifying a particular target signature. It is compared to two other measures, one based on variance and one based on volume, in a regression framework that estimates local background from an annular neighborhood. The three generic measures are applied to two hyperspectral images, and are used to compare the performance of three different estimators (local mean, local median, and local linear fit), using two different rotations of the hyperspectral bands. C1 [Theiler, James] Los Alamos Natl Lab, Space Data Sci & Syst Grp, Los Alamos, NM 87545 USA. RP Theiler, J (reprint author), Los Alamos Natl Lab, Space Data Sci & Syst Grp, Los Alamos, NM 87545 USA. EM jt@lanl.gov NR 33 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1550-5782 BN 978-1-4673-9919-7 J9 IEEE SW SYMP IMAG PY 2016 BP 45 EP 48 PG 4 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic; Imaging Science & Photographic Technology SC Computer Science; Engineering; Imaging Science & Photographic Technology GA BF4XD UT WOS:000381755500012 ER PT S AU Wohlberg, B AF Wohlberg, Brendt GP IEEE TI Convolutional Sparse Representation of Color Images SO 2016 IEEE SOUTHWEST SYMPOSIUM ON IMAGE ANALYSIS AND INTERPRETATION (SSIAI) SE IEEE Southwest Symposium on Image Analysis and Interpretation LA English DT Proceedings Paper CT IEEE Southwest Symposium on Image Analysis and Interpretation (SSIAI) CY MAR 06-08, 2016 CL Santa Fe, NM SP IEEE, IEEE Comp Soc DE Sparse Coding; Dictionary Learning; Convolutional Sparse Representation; Multi-channel AB Convolutional sparse representations differ from the standard form of sparse representations in their composition from coefficient maps convolved with dictionary filters instead of linear combinations of dictionary vectors. When applied to images, the standard form is usually independently computed over a set of overlapping image patches. The advantage of the convolutional form is that it provides a single-valued representation optimized over an entire signal, but this comes at a substantial computational cost. A recent algorithm for sparse coding via a convolutional form of Basis Pursuit DeNoising, however, has substantially reduced the computational cost of computing these representations. The present paper extends this algorithm to multi-channel signals such as color images, which has not previously been reported in the literature. C1 [Wohlberg, Brendt] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Wohlberg, B (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM brendt@lanl.gov NR 12 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1550-5782 BN 978-1-4673-9919-7 J9 IEEE SW SYMP IMAG PY 2016 BP 57 EP 60 PG 4 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic; Imaging Science & Photographic Technology SC Computer Science; Engineering; Imaging Science & Photographic Technology GA BF4XD UT WOS:000381755500015 ER PT S AU Dubey, ML Shultz, PF Kenyon, GT AF Dubey, Mohit L. Shultz, Peter F. Kenyon, Garrett T. GP IEEE TI Learning Phase-Rich Features from Streaming Auditory Images SO 2016 IEEE SOUTHWEST SYMPOSIUM ON IMAGE ANALYSIS AND INTERPRETATION (SSIAI) SE IEEE Southwest Symposium on Image Analysis and Interpretation LA English DT Proceedings Paper CT IEEE Southwest Symposium on Image Analysis and Interpretation (SSIAI) CY MAR 06-08, 2016 CL Santa Fe, NM SP IEEE, IEEE Comp Soc DE spectrotemporal receptive field; convolutional neural network; sparse coding; locally competitive algorithm; denoising AB Sparse codes for auditory stimuli are typically based on time-dependent power spectra. These spectrographic images result in the loss of phase information at fine temporal scales that could be useful for subsequent downstream processing tasks, such as monaural source separation. Using a resonance model of the human cochlea, we were able to learn spectrotemporal features on a sliding window of auditory images that allowed for phase rich reconstructions that remained accurate to millisecond scales. Moreover, we showed that such features exhibit tonotopy when trained on musical input and are useful in denoising. To our knowledge, this is the first demonstration of how sparsely activated auditory features that preserve phase information on time scales relevant to monaural source segmentation can be learned on streaming spectrotemporal auditory images. C1 [Dubey, Mohit L.] Oberlin Coll & Conservatory, Oberlin, OH 44074 USA. [Dubey, Mohit L.; Shultz, Peter F.; Kenyon, Garrett T.] New Mexico Consortium, Los Alamos, NM 87544 USA. [Kenyon, Garrett T.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Dubey, ML (reprint author), Oberlin Coll & Conservatory, Oberlin, OH 44074 USA.; Dubey, ML (reprint author), New Mexico Consortium, Los Alamos, NM 87544 USA. EM mdubey@oberlin.edu NR 19 TC 0 Z9 0 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1550-5782 BN 978-1-4673-9919-7 J9 IEEE SW SYMP IMAG PY 2016 BP 73 EP 76 PG 4 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic; Imaging Science & Photographic Technology SC Computer Science; Engineering; Imaging Science & Photographic Technology GA BF4XD UT WOS:000381755500019 ER PT S AU Ziemann, AK AF Ziemann, Amanda K. GP IEEE TI Local spectral unmixing for target detection SO 2016 IEEE SOUTHWEST SYMPOSIUM ON IMAGE ANALYSIS AND INTERPRETATION (SSIAI) SE IEEE Southwest Symposium on Image Analysis and Interpretation LA English DT Proceedings Paper CT IEEE Southwest Symposium on Image Analysis and Interpretation (SSIAI) CY MAR 06-08, 2016 CL Santa Fe, NM SP IEEE, IEEE Comp Soc DE CITRUS; remote sensing; hyperspectral; target detection; unmixing AB Remotely sensed hyperspectral imagery provides, at each pixel, a radiance spectrum with up to hundreds of distinct wavelength channels. This high-dimensional spectral information allows for pixel-level material discrimination, including applications to remotely detecting the presence of particular materials of interest within a scene. Target detection takes a spectrum (or multiple spectra) corresponding to the target material, typically laboratory-measured, field-measured, or image-derived, and uses a detection algorithm to assign a target-likelihood score to each pixel in the image. Here, we explore the tradeoff between spatial accuracy and detection accuracy by presenting the CITRUS algorithm (Cueing Image Target Regions by Unmixing Spectra), which performs target detection on local patches, or tiles. Instead of assigning a detection score to each pixel, we assign a detection score to each tile, indicating the likelihood of the target being contained within that local region; the assumption is that detecting target-containing regions will have lower false alarm rates than when detecting target-containing pixels. Through local spectral unmixing in each tile, we identify the corresponding endmembers using the MaxD algorithm. We hypothesize that for tiles containing the target material in either full-pixel or sub-pixel abundances, the target spectrum will be within - or close to, in a Euclidean sense - the simplex described by those endmembers. The resulting detection map highlights the tiles with low target-to-simplex distances, and serves as a visual cueing tool for an analyst. The ultimate application here is target-region detection in broad-area spectral imagery. The methodology is detailed in this paper, and results are shown on a ground-truthed hyperspectral dataset. C1 [Ziemann, Amanda K.] Los Alamos Natl Lab, Intelligence & Space Res Div, Space Data Sci & Syst Grp, Los Alamos, NM 87545 USA. RP Ziemann, AK (reprint author), Los Alamos Natl Lab, Intelligence & Space Res Div, Space Data Sci & Syst Grp, Los Alamos, NM 87545 USA. EM ziemann@lanl.gov NR 16 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1550-5782 BN 978-1-4673-9919-7 J9 IEEE SW SYMP IMAG PY 2016 BP 77 EP 80 PG 4 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic; Imaging Science & Photographic Technology SC Computer Science; Engineering; Imaging Science & Photographic Technology GA BF4XD UT WOS:000381755500020 ER PT S AU Lundquist, SY Paiton, DM Schultz, PF Kenyon, GT AF Lundquist, Sheng Y. Paiton, Dylan M. Schultz, Peter F. Kenyon, Garrett T. GP IEEE TI Sparse Encoding of Binocular Images for Depth Inference SO 2016 IEEE SOUTHWEST SYMPOSIUM ON IMAGE ANALYSIS AND INTERPRETATION (SSIAI) SE IEEE Southwest Symposium on Image Analysis and Interpretation LA English DT Proceedings Paper CT IEEE Southwest Symposium on Image Analysis and Interpretation (SSIAI) CY MAR 06-08, 2016 CL Santa Fe, NM SP IEEE, IEEE Comp Soc DE Sparse coding; stereopsis; depth inference ID INDEPENDENT COMPONENT ANALYSIS AB Sparse coding models have been widely used to decompose monocular images into linear combinations of small numbers of basis vectors drawn from an overcomplete set. However, little work has examined sparse coding in the context of stereopsis. In this paper, we demonstrate that sparse coding facilitates better depth inference with sparse activations than comparable feed-forward networks of the same size. This is likely due to the noise and redundancy of feed-forward activations, whereas sparse coding utilizes lateral competition to selectively encode image features within a narrow band of depths. C1 [Lundquist, Sheng Y.] Portland State Univ, Dept Comp Sci, Portland, OR 97201 USA. [Paiton, Dylan M.] Univ Calif Berkeley, Redwood Ctr, Vis Sci Grp, Berkeley, CA USA. [Schultz, Peter F.] New Mexico Consortium, Los Alamos, NM 87544 USA. [Kenyon, Garrett T.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Lundquist, SY (reprint author), Portland State Univ, Dept Comp Sci, Portland, OR 97201 USA. EM shenglundquist@gmail.com NR 11 TC 0 Z9 0 U1 2 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1550-5782 BN 978-1-4673-9919-7 J9 IEEE SW SYMP IMAG PY 2016 BP 121 EP 124 PG 4 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic; Imaging Science & Photographic Technology SC Computer Science; Engineering; Imaging Science & Photographic Technology GA BF4XD UT WOS:000381755500031 ER PT S AU Luo, XY Wohlberg, B AF Luo, Xiyang Wohlberg, Brendt GP IEEE TI Convolutional Laplacian Sparse Coding SO 2016 IEEE SOUTHWEST SYMPOSIUM ON IMAGE ANALYSIS AND INTERPRETATION (SSIAI) SE IEEE Southwest Symposium on Image Analysis and Interpretation LA English DT Proceedings Paper CT IEEE Southwest Symposium on Image Analysis and Interpretation (SSIAI) CY MAR 06-08, 2016 CL Santa Fe, NM SP IEEE, IEEE Comp Soc DE Sparse Representation; Convolutional Sparse Coding; Laplacian Sparse Coding ID HIGH-DIMENSIONAL DATA; CLASSIFICATION; GRAPHS AB We propose to extend the the standard convolutional sparse representation by combining it with a non-local graph Laplacian term. This additional term is chosen to address some of the deficiencies of the l(1) norm in regularizing these representations, and is shown to have an advantage in both dictionary learning and an example image reconstruction problem. C1 [Luo, Xiyang] Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90024 USA. [Wohlberg, Brendt] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. RP Luo, XY (reprint author), Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90024 USA. NR 17 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1550-5782 BN 978-1-4673-9919-7 J9 IEEE SW SYMP IMAG PY 2016 BP 133 EP 136 PG 4 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic; Imaging Science & Photographic Technology SC Computer Science; Engineering; Imaging Science & Photographic Technology GA BF4XD UT WOS:000381755500034 ER PT J AU White, A Tretiak, S Mozyrsky, D AF White, Alexander Tretiak, Sergei Mozyrsky, Dmitry TI Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces SO CHEMICAL SCIENCE LA English DT Article ID DENSITY-FUNCTIONAL THEORY; SCHRODINGER-EQUATION; QUANTUM DYNAMICS; DECOHERENCE; PROPAGATION; SIMULATIONS; PHOTODISSOCIATION; APPROXIMATION; TRAJECTORIES; REDUCTION AB Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semi-classical approximation, that is as efficient as the commonly used mean field Ehrenfest or ad hoc surface hopping methods and properly accounts for interference and decoherence effects. This novel method is an extension of Heller's thawed Gaussian wave-packet dynamics that includes coupling between potential energy surfaces. By studying several standard test problems we demonstrate that the accuracy of the method can be systematically improved while maintaining high efficiency. The method is suitable for investigating the role of quantum coherence in the non-adiabatic dynamics of many-atom molecules. C1 [White, Alexander; Tretiak, Sergei; Mozyrsky, Dmitry] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [White, Alexander; Tretiak, Sergei] Ctr Nonlinear Studies, Los Alamos, NM USA. [Tretiak, Sergei] Ctr Integrated Nanotechnol, Albuquerque, NM USA. RP White, A (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.; White, A (reprint author), Ctr Nonlinear Studies, Los Alamos, NM USA. EM alwhite@lanl.gov; serg@lanl.gov; mozyrsky@lanl.gov RI Tretiak, Sergei/B-5556-2009; OI Tretiak, Sergei/0000-0001-5547-3647; Mozyrsky, Dima/0000-0001-5305-4617; White, Alexander/0000-0002-7771-3899 FU U.S. Department of Energy through the Los Alamos National Laboratory (LANL) LDRD Program; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; Center for Nonlinear Studies (CNLS); Center for Integrated Nanotechnology (CINT) at LANL FX We acknowledge support of the U.S. Department of Energy through the Los Alamos National Laboratory (LANL) LDRD Program. LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. We also acknowledge the LANL Institutional Computing (IC) Program provided computational resources. This work was supported in part by the Center for Nonlinear Studies (CNLS) and the Center for Integrated Nanotechnology (CINT) at LANL. NR 78 TC 1 Z9 1 U1 8 U2 12 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 2016 VL 7 IS 8 BP 4905 EP 4911 DI 10.1039/c6sc01319h PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA DS6LS UT WOS:000380893900013 ER PT J AU Chatterjee, R Han, G Kern, J Gul, S Fuller, FD Garachtchenko, A Young, ID Weng, TC Nordlund, D Alonso-Mori, R Bergmann, U Sokaras, D Hatakeyama, M Yachandra, VK Yano, J AF Chatterjee, Ruchira Han, Guangye Kern, Jan Gul, Sheraz Fuller, Franklin D. Garachtchenko, Anna Young, Iris D. Weng, Tsu-Chien Nordlund, Dennis Alonso-Mori, Roberto Bergmann, Uwe Sokaras, Dimosthenis Hatakeyama, Makoto Yachandra, Vittal K. Yano, Junko TI Structural changes correlated with magnetic spin state isomorphism in the S-2 state of the Mn4CaO5 cluster in the oxygen-evolving complex of photosystem II SO CHEMICAL SCIENCE LA English DT Article ID X-RAY-ABSORPTION; ELECTRON-PARAMAGNETIC-RES; WATER OXIDATION CYCLE; NEAR-INFRARED LIGHT; O BOND FORMATION; MANGANESE COMPLEX; MN CLUSTER; CENTERED OXIDATION; EPR SPECTROSCOPY; CATALYTIC CYCLE AB The Mn4CaO5 cluster in photosystem II catalyzes the four-electron redox reaction of water oxidation in natural photosynthesis. This catalytic reaction cycles through four intermediate states (S-i, i = 0 to 4), involving changes in the redox state of the four Mn atoms in the cluster. Recent studies suggest the presence and importance of isomorphous structures within the same redox/intermediate S-state. It is highly likely that geometric and electronic structural flexibility play a role in the catalytic mechanism. Among the catalytic intermediates that have been identified experimentally thus far, there is clear evidence of such isomorphism in the S-2 state, with a high-spin (5/2) (HS) and a low spin (1/2) (LS) form, identified and characterized by their distinct electron paramagnetic resonance (EPR spectroscopy) signals. We studied these two S-2 isomers with Mn extended X-ray absorption fine structure (EXAFS) and absorption and emission spectroscopy (XANES/XES) to characterize the structural and electronic structural properties. The geometric and electronic structure of the HS and LS S-2 states are different as determined using Mn EXAFS and XANES/XES, respectively. The Mn K-edge XANES and XES for the HS form are different from the LS and indicate a slightly lower positive charge on the Mn atoms compared to the LS form. Based on the EXAFS results which are clearly different, we propose possible structural differences between the two spin states. Such structural and magnetic redox-isomers if present at room temperature, will likely play a role in the mechanism for water-exchange/oxidation in photosynthesis. C1 [Chatterjee, Ruchira; Han, Guangye; Kern, Jan; Gul, Sheraz; Fuller, Franklin D.; Garachtchenko, Anna; Young, Iris D.; Yachandra, Vittal K.; Yano, Junko] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, MS 66-0200,1 Cyclotron Rd, Berkeley, CA 94720 USA. [Kern, Jan; Alonso-Mori, Roberto] SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA USA. [Weng, Tsu-Chien] Ctr High Pressure Sci & Technol Adv Res, Shanghai, Peoples R China. [Nordlund, Dennis; Sokaras, Dimosthenis] SLAC Natl Accelerator Lab, SSRL, Menlo Pk, CA USA. [Bergmann, Uwe] SLAC Natl Accelerator Lab, PULSE, Menlo Pk, CA USA. [Hatakeyama, Makoto] RIKEN, Res Cluster Innovat, Wako, Saitama, Japan. RP Yachandra, VK; Yano, J (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, MS 66-0200,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM vkyachandra@lbl.gov; JYano@lbl.gov FU NIH Grant [GM 55302]; Office of Science, Office of Basic Energy Sciences (OBES), Division of Chemical Sciences, Geosciences, and Biosciences, DOE [DE-AC02-05CH11231]; Human Frontier Science Project [RGP0063/2013]; NIH, the National Center for Research Resources; DOE Office of Biological and Environmental Research FX This work was supported by NIH Grant GM 55302, and by the Director of the Office of Science, Office of Basic Energy Sciences (OBES), Division of Chemical Sciences, Geosciences, and Biosciences, DOE, under Contract DE-AC02-05CH11231. Synchrotron facilities were provided by the Stanford Synchrotron Radiation Lightsource (SSRL) operated by DOE, OBES. The SSRL Biomedical Technology program is supported by the NIH, the National Center for Research Resources, and the DOE Office of Biological and Environmental Research. J. Y. thanks the Human Frontier Science Project Award No. RGP0063/2013. NR 75 TC 3 Z9 3 U1 7 U2 9 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 2016 VL 7 IS 8 BP 5236 EP 5248 DI 10.1039/c6sc00512h PG 13 WC Chemistry, Multidisciplinary SC Chemistry GA DS6LS UT WOS:000380893900054 PM 28044099 ER PT J AU Yuan, Z Zhang, L AF Yuan, Zhao Zhang, Lu TI Photoinduced Controlled-Release Drug Delivery Systems for Applications in Nanomedicine SO CURRENT ORGANIC CHEMISTRY LA English DT Article DE Photochemistry; cyclodextrin; stimuli-responsive; drug delivery; controlled-release; polymer; mesoporous silica; hydrogel ID MESOPOROUS SILICA NANOPARTICLES; SUPRAMOLECULAR HYDROGEL; BETA-CYCLODEXTRIN; GENE DELIVERY; FLUORESCENT INDICATORS; MOLECULAR RECOGNITION; NONCOVALENT INTERACTIONS; INCLUSION COMPLEXATION; REVERSIBLE TRANSITION; ALIPHATIC-ALCOHOLS AB The recent progress on controlled-release drug delivery systems with cyclodextrins as functional groups and their applications in nanomedicine are reviewed. As one of the most famous supramolecular host candidates, cyclodextrins with small guest molecules are extensively employed in controlled-release drug delivery systems in nanomedicine fields. The host-guest interactions between cyclodextrins and the guest molecules can be triggered by various stimulations, including temperature, light, pH, etc. In this review, we will focus on the cyclodextrin-based controlled-release systems mainly triggered by light. The comparison between photo-responsive and other controlled-release drug delivery systems is also discussed. C1 [Yuan, Zhao] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. [Zhang, Lu] Argonne Natl Lab, Div Chem Sci, Lemont, IL 60439 USA. RP Yuan, Z (reprint author), Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA.; Zhang, L (reprint author), Argonne Natl Lab, Div Chem Sci, Lemont, IL 60439 USA. EM zyuan@chem.fsu.edu; luzhang@anl.gov NR 132 TC 1 Z9 1 U1 18 U2 21 PU BENTHAM SCIENCE PUBL LTD PI SHARJAH PA EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES SN 1385-2728 EI 1875-5348 J9 CURR ORG CHEM JI Curr. Org. Chem. PY 2016 VL 20 IS 17 BP 1768 EP 1785 DI 10.2174/1385272820666160112001944 PG 18 WC Chemistry, Organic SC Chemistry GA DS5PF UT WOS:000380833700003 ER PT J AU Dehaudt, J Williams, NJ Shkrob, IA Luo, HM Dai, S AF Dehaudt, Jeremy Williams, Neil J. Shkrob, Ilya A. Luo, Huimin Dai, Sheng TI Selective separation of trivalent f-ions using 1,10-phenanthroline-2,9-dicarboxamide ligands in ionic liquids SO DALTON TRANSACTIONS LA English DT Article ID ACTINIDE EXTRACTION; SOLVENT-EXTRACTION; AMERICIUM(III); LANTHANIDES; DERIVATIVES AB 1,10-Phenanthroline-2,9-dicarboxamide complexants decorated with alkyl chains and imidazolium cations have been studied for extraction of trivalent f-ions into imidazolium ionic liquids. The dicationic complexants are shown to extract Am over Eu with separation factors >50 and high extraction efficiencies. The different size selectivities for lanthanide ions were observed for these two types of complexants, highlighting the importance of the positive charge in controlling both extraction efficiencies and extraction selectivities. C1 [Dehaudt, Jeremy; Williams, Neil J.; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA. [Williams, Neil J.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Shkrob, Ilya A.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. RP Dai, S (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA.; Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov FU US-DOE Office of Science, Division of Chemical Sciences, Geosciences and Biosciences FX This work was supported by the US-DOE Office of Science, Division of Chemical Sciences, Geosciences and Biosciences. NR 29 TC 1 Z9 1 U1 7 U2 9 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 2016 VL 45 IS 29 BP 11624 EP 11627 DI 10.1039/c6dt01800a PG 4 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DS1GX UT WOS:000380344900006 PM 27305063 ER PT J AU Li, WL Xu, CQ Hu, SX Li, J AF Li, Wan-Lu Xu, Cong-Qiao Hu, Shu-Xian Li, Jun TI Theoretical studies on the bonding and electron structures of a [Au3Sb6](3-) complex and its oligomers SO DALTON TRANSACTIONS LA English DT Article ID INDEPENDENT CHEMICAL-SHIFTS; FLIGHT MASS-SPECTROMETRY; LASER-ABLATION SYNTHESIS; CONSISTENT BASIS-SETS; CONVERGENT BASIS-SETS; SANDWICH COMPLEXES; ZINTL IONS; AROMATIC-MOLECULES; WAVE-FUNCTIONS; SOLID-STATE AB Recently an all-metal aromatic sandwich compound of a [Sb3Au3Sb3](3-) ion has been synthesized and characterized experimentally, which indicates that there might exist a variety of stable all-metal sandwich complexes. The intralayer and interlayer chemical bonding interaction in this system plays significant roles in their stability, chemical properties and functionalities. Here we report a systematic theoretical study on the geometries, electronic structures, and chemical bonding of the [Sb3Au3Sb3](3-) ion and its congeners of [X3Au3X3](3-) (X = N, P, As, Sb, Bi, Uup) as well as [X3M3X3](3-) (M, X = Cu, As; Ag, Bi; Au, Sb; Rg, Uup) to understand the special stabilities of these species. Additional studies are also performed on the oligomers [Sb-3(Au3Sb3)(n)](3-) (n = 1-4) to explore whether the sandwich compound can form stable extended systems. Through extensive theoretical analyses, we have shown that among the [Au3X6](3-) (X = N, P, As, Sb, Bi, Uup) species, [Sb3Au3Sb3](3-) is most stable due to superb matching of Sb-3 and Au-3 in both geometric size and fragment orbital energies. The significant stability of the [Au3Sb6](3-) ion is determined by the interlayer (p-d-p)sigma interactions between the vertical Au 5d6s hybrid orbitals of Au-3 and Sb 5p(pi) orbitals of the Sb-3 rings. Each Sb-3 ring demonstrates unique sigma aromaticity, which remains when the complex is extended to oligomers. The results suggest that it is likely that there might exist other stable [A(p)M(p)A(p)](x-) (M = transition metals, A = main group elements, p = 3, 4, 5, ...) sandwich ions and oligomers. C1 [Li, Wan-Lu; Xu, Cong-Qiao; Hu, Shu-Xian; Li, Jun] Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China. [Li, Wan-Lu; Xu, Cong-Qiao; Hu, Shu-Xian; Li, Jun] Tsinghua Univ, Minist Educ, Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China. [Li, Jun] Pacific Northwest Natl Lab, Environm Mol Sci Lab, POB 999,MS K8-88, Richland, WA 99352 USA. RP Li, J (reprint author), Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China.; Li, J (reprint author), Tsinghua Univ, Minist Educ, Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China.; Li, J (reprint author), Pacific Northwest Natl Lab, Environm Mol Sci Lab, POB 999,MS K8-88, Richland, WA 99352 USA. EM junli@tsinghua.edu.cn OI Xu, Cong-Qiao/0000-0003-4593-3288 FU National Key Basic Research Special Foundations [2013CB834603]; National Natural Science Foundation of China [21433005, 91426302] FX The theoretical work performed at Tsinghua University was supported by the National Key Basic Research Special Foundations (2013CB834603) and the National Natural Science Foundation of China (Grants 21433005 and 91426302). Computer, storage and other resources from the Computer Network Information Center, Chinese Academy of Sciences and Tsinghua National Laboratory for Information Science and Technology at Tsinghua University are gratefully acknowledged. NR 85 TC 1 Z9 1 U1 2 U2 2 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 2016 VL 45 IS 29 BP 11657 EP 11667 DI 10.1039/c6dt00602g PG 11 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DS1GX UT WOS:000380344900012 PM 27010416 ER PT J AU Reback, ML Ginovska, B Buchko, GW Dutta, A Priyadarshani, N Kier, BL Helm, ML Raugei, S Shaw, WJ AF Reback, Matthew L. Ginovska, Bojana Buchko, Garry W. Dutta, Arnab Priyadarshani, Nilusha Kier, Brandon L. Helm, Monte L. Raugei, Simone Shaw, Wendy J. TI Investigating the role of chain and linker length on the catalytic activity of an H-2 production catalyst containing beta-hairpin peptide SO JOURNAL OF COORDINATION CHEMISTRY LA English DT Article DE Hydrogen production; electrocatalysis; peptide catalyst; outer coordination sphere; renewable energy; enzyme mimic ID OUTER-COORDINATION SPHERE; HYDROGEN-PRODUCTION; NICKEL ELECTROCATALYST; SECONDARY STRUCTURE; CIRCULAR-DICHROISM; OXIDATION; DESIGN; WATER; COMPLEXES; EVOLUTION AB Building on our recent report of an active H-2 production catalyst [Ni((P2NProp-peptide)-N-Ph)(2)](2+) (Prop=para-phenylpropionic acid, peptide (R10)=WIpPRWTGPR-NH2, p=D-proline and P2N=1-aza-3,6-diphosphacycloheptane) that contains structured -hairpin peptides, here we investigate how H-2 production is effected by: (1) the length of the hairpin (8 or 10 residues) and (2) limiting the flexibility between the peptide and the core complex by altering the length of the linker: para-phenylpropionic acid (three carbons) or para-benzoic acid (one carbon). Reduction of the peptide chain length from 10 to 8 residues increases or maintains the catalytic current for H-2 production for all complexes, suggesting a non-productive steric interaction at longer peptide lengths. While the structure of the hairpin appears largely intact for the complexes, NMR data are consistent with differences in dynamic behavior which may contribute to the observed differences in catalytic activity. Molecular dynamics simulations demonstrate that complexes with a one-carbon linker have the desired effect of restricting the motion of the hairpin relative to the complex; however, the catalytic currents are significantly reduced compared to complexes containing a three-carbon linker as a result of the electron withdrawing nature of the -COOH group. These results demonstrate the complexity and interrelated nature of the outer coordination sphere on catalysis. [GRAPHICS] . C1 [Reback, Matthew L.; Ginovska, Bojana; Buchko, Garry W.; Dutta, Arnab; Priyadarshani, Nilusha; Helm, Monte L.; Raugei, Simone; Shaw, Wendy J.] Pacific Northwest Natl Lab, Richland, WA 99352 USA. [Kier, Brandon L.] Univ Washington, Seattle, WA 98195 USA. [Dutta, Arnab] IIT Gandhinagar, Dept Chem, Ahmadabad, Gujarat, India. [Reback, Matthew L.] Ruhr Univ Bochum, Dept Chem, Bochum, Germany. RP Raugei, S; Shaw, WJ (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. EM simone.raugei@pnnl.gov; wendy.shaw@pnnl.gov RI Buchko, Garry/G-6173-2015 OI Buchko, Garry/0000-0002-3639-1061 FU U.S. Department of Energy (US DOE) Basic Energy Sciences (BES), Physical Bioscience program; Office of Science Early Career Research Program through US DOE BES; Center for Molecular Electrocatalysis, an Energy Frontier Research Center - US DOE, Office of Science, BES; National Institutes of Health [GM099889] FX This work was supported by the U.S. Department of Energy (US DOE) Basic Energy Sciences (BES), Physical Bioscience program (MLR, SR); the Office of Science Early Career Research Program through the US DOE BES (WJS, AD, GWB, BG); the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US DOE, Office of Science, BES (MLH); the National Institutes of Health [grant number GM099889] (BLK). NR 57 TC 1 Z9 1 U1 5 U2 8 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0095-8972 EI 1029-0389 J9 J COORD CHEM JI J. Coord. Chem. PY 2016 VL 69 IS 11-13 SI SI BP 1730 EP 1747 DI 10.1080/00958972.2016.1188924 PG 18 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DR8DY UT WOS:000380129800006 ER PT J AU Tamasi, AL Rungthanapathsophon, P Dame, AN Moody, MA Barnes, CL Wilkerson, MP Walensky, JR AF Tamasi, Alison L. Rungthanapathsophon, Pokpong Dame, Ashley N. Moody, Morgan A. Barnes, Charles L. Wilkerson, Marianne P. Walensky, Justin R. TI Pseudo-halide uranyl salicylaldiminate complexes including the isolation of a rare uranyl azide SO JOURNAL OF COORDINATION CHEMISTRY LA English DT Article DE Uranyl; salicylaldiminate; azide; heteronuclear NMR spectroscopy ID DENSITY-FUNCTIONAL THEORY; ACTINIDE COMPLEXES; URANIUM; PSEUDOHALIDES; COORDINATION; SPECTROSCOPY; REACTIVITY; ADDUCTS; LIGANDS; ANION AB We report the synthesis and spectroscopy of pseudo-halide complexes of uranyl coordinated to salicylaldiminate ligands. The reaction of [(NC9H6)N=C(H)(C6H2Bu2O)-Bu-t-(3)(O,N,N)]UO2Cl(THF), 1, with NaN3 produces a rare example of an uranyl azide, [(NC9H6)N=C(H)(C6H2Bu2O)-Bu-t-(3)(O,N,N)]UO2(N-3)(THF), 2. A series of isocyanates, [(NC9H6)N=C(H)(C6H2Bu2O)-Bu-t-(3)(O,N,N)]UO2(NCE)(THF), E=O, 3; S, 4; Se, 5, were synthesized from reaction of 1 with KNCE. Reaction of 1 with AgNO3 and AgOTf (OTf=SO3CF3) produces [(NC9H6)N=C(H)(C6H2Bu2O)-Bu-t-(3)(O,N,N)]UO2(NO3), 6 and [(NC9H6)N=C(H)(C6H2Bu2O)-Bu-t-(3)(O,N,N)]UO2(OTf)(THF), 7, respectively. The newly formed complexes, 2-7, have been characterized by H-1, C-13, and N-15 NMR (where applicable), as well as IR spectroscopy, and the molecular structure of 2, 5, 6, and 7 have been determined by X-ray crystallography. [GRAPHICS] . C1 [Tamasi, Alison L.; Rungthanapathsophon, Pokpong; Dame, Ashley N.; Moody, Morgan A.; Barnes, Charles L.; Walensky, Justin R.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. [Tamasi, Alison L.; Wilkerson, Marianne P.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Walensky, JR (reprint author), Univ Missouri, Dept Chem, Columbia, MO 65211 USA. EM walenskyj@missouri.edu FU U.S. Department of Homeland Security [2012-DN-130-NF0001-02] FX This work was supported by the U.S. Department of Homeland Security [grant number 2012-DN-130-NF0001-02]. NR 38 TC 0 Z9 0 U1 3 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0095-8972 EI 1029-0389 J9 J COORD CHEM JI J. Coord. Chem. PY 2016 VL 69 IS 11-13 SI SI BP 1904 EP 1913 DI 10.1080/00958972.2016.1189544 PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DR8DY UT WOS:000380129800023 ER PT J AU Mukhopadhyay, TK Groy, TL Smythe, NC Gordon, JC Trovitch, RJ AF Mukhopadhyay, Tufan K. Groy, Thomas L. Smythe, Nathan C. Gordon, John C. Trovitch, Ryan J. TI Reactivity of (Triphos)FeBr2(CO) towards sodium borohydrides SO JOURNAL OF COORDINATION CHEMISTRY LA English DT Article DE Iron; coordination compounds; triphos; borane ligands; hydrides ID IRON-ONLY HYDROGENASE; CARBONYL-COMPOUNDS; CRYSTAL-STRUCTURE; SUBSTRATE SCOPE; METAL-COMPLEXES; PINCER LIGANDS; LOW-SPIN; HYDROSILYLATION; KETONES; EFFICIENT AB The addition of CO to (Triphos)FeBr2 (Triphos=PhP(CH2CH2PPh2)(2)) resulted in formation of six-coordinate (Triphos)FeBr2(CO). This coordination compound was found to have cis-bromide ligands and a mer-Triphos ligand by single crystal X-ray diffraction. Once characterized, the reactivity of this compound toward NaEt3BH and NaBH4 was investigated. Adding 1eq. of NaEt3BH to (Triphos)FeBr2(CO) resulted in formation of (Triphos)FeH(Br)(CO), while the addition of 2.2eq. afforded previously described (Triphos)Fe(CO)(2). In contrast, adding 2.2eq. of NaBH4 to (Triphos)FeBr2(CO) resulted in carbonyl dissociation and formation of diamagnetic (Triphos)FeH((2)-BH4), which has been structurally characterized. Notably, efforts to prepare (Triphos)FeH((2)-BH4) following 2.2 eq. NaBH4 addition to (Triphos)FeBr2 were unsuccessful. The importance of these observations as they relate to previously reported (Triphos)Fe reactivity and recent developments in Fe catalysis are discussed. [GRAPHICS] C1 [Mukhopadhyay, Tufan K.; Groy, Thomas L.; Trovitch, Ryan J.] Arizona State Univ, Sch Mol Sci, Tempe, AZ 85281 USA. [Smythe, Nathan C.; Gordon, John C.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM USA. RP Trovitch, RJ (reprint author), Arizona State Univ, Sch Mol Sci, Tempe, AZ 85281 USA. EM ryan.trovitch@asu.edu FU Los Alamos National Laboratory [Laboratory Directed Research and Development Program] FX This work was supported by the Los Alamos National Laboratory [Laboratory Directed Research and Development Program]. NR 40 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0095-8972 EI 1029-0389 J9 J COORD CHEM JI J. Coord. Chem. PY 2016 VL 69 IS 11-13 SI SI BP 2038 EP 2046 DI 10.1080/00958972.2016.1191631 PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DR8DY UT WOS:000380129800035 ER PT J AU Pilat, JF AF Pilat, Joseph F. TI A Reversal of Fortunes? Extended Deterrence and Assurance in Europe and East Asia(1) SO JOURNAL OF STRATEGIC STUDIES LA English DT Article DE Nuclear weapons; Nuclear deterrence; Nuclear umbrella; Extended deterrence; Assurance; Alliances; NATO; Japan South Korea AB The extended deterrence relationships between the United States and its allies in Europe and East Asia have been critical to regional and global security and stability, as well as to nonproliferation efforts, since the late 1950s. These relationships developed in different regional contexts, and reflect differing cultural, political and military realities in the US allies and their relations with the United States. Although extended deterrence and assurance relations have very different histories, and have to some extent been controversial through the years, there has been a rethinking of these relations in recent years. Many Europeans face a diminished threat situation as well as economic and political pressures on the maintenance of extended deterrence, and are looking at the East Asian relationships, which do not involve forward deployed forces as more attractive than NATO's risk-and-burden-sharing concepts involving the US nuclear forces deployed in Europe. On the other hand, the East Asian allies are looking favorably at NATO nuclear consultations, and in the case of South Korea, renewed US nuclear deployments (which were ended in 1991), to meet increased security concerns posed by a nuclear North Korea and more assertive China. This paper explores the history of current relationships and the changes that have led the allies to view those of others as more suitable for meeting their current needs. C1 [Pilat, Joseph F.] Los Alamos Natl Lab, Natl Secur Off, Los Alamos, NM 87545 USA. RP Pilat, JF (reprint author), Los Alamos Natl Lab, Natl Secur Off, Los Alamos, NM 87545 USA. EM jpilat@lanl.gov NR 11 TC 0 Z9 0 U1 7 U2 7 PU ROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0140-2390 EI 1743-937X J9 J STRATEGIC STUD JI J. Strateg. Stud. PY 2016 VL 39 IS 4 SI SI BP 580 EP 591 DI 10.1080/01402390.2016.1168016 PG 12 WC International Relations; Political Science SC International Relations; Government & Law GA DS6MK UT WOS:000380895800007 ER PT S AU Zheng, B Yang, N Yee, J Gaiser, K Lu, WY Clemon, L Zhou, Y Lavernia, EJ Schoenung, JM AF Zheng, B. Yang, N. Yee, J. Gaiser, K. Lu, W. Y. Clemon, L. Zhou, Y. Lavernia, E. J. Schoenung, J. M. BE Gu, B Helvajian, H Pique, A TI Review on Laser Powder Injection Additive Manufacturing of Novel Alloys and Composites SO LASER 3D MANUFACTURING III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Laser 3D Manufacturing III CY FEB 15-18, 2016 CL San Francisco, CA SP SPIE, Polaronyx Inc, Nanoscribe Gmbh DE Laser 3D printing; metals and alloys; composites; metallic foams; cermets; process control; thermal behavior; porosity; residual stress ID WROUGHT ALUMINUM-ALLOYS; RESIDUAL-STRESSES; THERMAL-BEHAVIOR; MICROSTRUCTURE; DEPOSITION; STEEL; EVOLUTION; PROGRESS AB In this paper, recent research and progress associated with development of alloys and composites using LENS (R) are reviewed. The microstructure of novel materials can be tailored by controlling both composition and process parameters. For process control, closed-loop diagnostics and controls such as in-situ molten pool sensor and Z-height control subsystems are utilized, while the thermal behavior measurement with thermal imaging methods and numerical simulation are also investigated. The existing problems with residual stress and porosity in deposited materials are discussed. C1 [Zheng, B.; Zhou, Y.; Lavernia, E. J.; Schoenung, J. M.] Univ Calif Irvine, Irvine, CA 92697 USA. [Yang, N.; Yee, J.; Gaiser, K.; Lu, W. Y.; Clemon, L.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Yang, N (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM nyyang@sandia.gov; julie.schoenung@uci.edu NR 35 TC 0 Z9 0 U1 13 U2 17 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-973-3 J9 PROC SPIE PY 2016 VL 9738 AR UNSP 97380O DI 10.1117/12.2217909 PG 9 WC Optics; Physics, Applied SC Optics; Physics GA BF3YE UT WOS:000380605700012 ER PT S AU Rostami, S Albrecht, AR Ghasemkhani, MR Melgaard, SD Gragossian, A Tonelli, M Sheik-Baha, M AF Rostami, Saeid Albrecht, Alexander R. Ghasemkhani, Mohammad R. Melgaard, Seth D. Gragossian, Aram Tonelli, Mauro Sheik-Baha, Mansoor BE Epstein, RI Seletskiy, DV SheikBahae, M TI Optical refrigeration of Tm:YLF and Ho:YLF crystals SO OPTICAL AND ELECTRONIC COOLING OF SOLIDS SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Optical and Electronic Cooling of Solids CY FEB 17-18, 2016 CL San Francisco, CA SP SPIE DE Laser cooling of solids; Optical refrigeration; Anti-stokes fluorescence; Rare-earth ions; High power OPO ID THULIUM-DOPED GLASS AB We report the first observation of laser cooling in 1% doped Tm: YLF by 0.5 K and in 0.8% doped Ho: YLF crystals by 0.1 K starting from room temperature in air. To achieve this, we designed and constructed a high power, broadly tunable (1735 nm-2086 nm) continuous wave singly-resonant optical parametric oscillator. (OPO). The cooling experiments were performed at ambient pressure, and temperature changes were measured using a thermal camera. C1 [Rostami, Saeid; Albrecht, Alexander R.; Ghasemkhani, Mohammad R.; Melgaard, Seth D.; Gragossian, Aram; Sheik-Baha, Mansoor] Univ New Mexico, Dept Phys & Astron, 1919 Lomas Blvd NE MSC 07-4220, Albuquerque, NM 87131 USA. [Melgaard, Seth D.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Tonelli, Mauro] Univ Pisa, Dipartimento Fis, NEST CNR INFM, Largo B Pontecorvo 3, I-56127 Pisa, Italy. RP Sheik-Baha, M (reprint author), Univ New Mexico, Dept Phys & Astron, 1919 Lomas Blvd NE MSC 07-4220, Albuquerque, NM 87131 USA. EM msb@unm.edu 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 978-1-5106-0000-3 J9 PROC SPIE PY 2016 VL 9765 AR 97650P DI 10.1117/12.2213568 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA BF4JH UT WOS:000381078200014 ER PT S AU Ma, L Gannavarpu, R Wang, R Bhaduri, B Sridharan, S Mir, MA Chakraborty, A Prasanth, SG Millet, L Gillette, MU Popescu, G AF Ma, Lihong Gannavarpu, Rajshekhar Wang, Ru Bhaduri, Basanta Sridharan, Shamira Mir, Mustafa A. Chakraborty, Arindam Prasanth, Supriya G. Millet, Larry Gillette, Martha U. Popescu, Gabriel BE Popescu, G Park, Y TI Phase correlation imaging (PCI) for cell dynamics investigation SO QUANTITATIVE PHASE IMAGING II SE Proceedings of SPIE LA English DT Proceedings Paper CT 2nd Confernce on Quantitative Phase Imaging ((QPI II) CY FEB 14-17, 2016 CL San Francisco, CA SP SPIE C1 [Ma, Lihong; Gannavarpu, Rajshekhar; Wang, Ru; Bhaduri, Basanta; Sridharan, Shamira; Mir, Mustafa A.; Chakraborty, Arindam; Prasanth, Supriya G.; Gillette, Martha U.; Popescu, Gabriel] Univ Illinois, Urbana, IL 61801 USA. [Millet, Larry] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Ma, L (reprint author), Univ Illinois, Urbana, IL 61801 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 978-1-62841-952-8 J9 PROC SPIE PY 2016 VL 9718 AR UNSP 97180P DI 10.1117/12.2217666 PG 1 WC Optics; Physics, Applied SC Optics; Physics GA BF3YA UT WOS:000380605300020 ER PT J AU Ursescu, D Cheriaux, G Audebert, P Kalashnikov, M Toncian, T Cerchez, M Kaluza, M Paulus, G Priebe, G Dabu, R Cernaianu, MO Dinescu, M Asavei, T Dancus, I Neagu, L Boianu, A Hooker, C Barty, C Haefner, C AF Ursescu, D. Cheriaux, G. Audebert, P. Kalashnikov, M. Toncian, T. Cerchez, M. Kaluza, M. Paulus, G. Priebe, G. Dabu, R. Cernaianu, M. O. Dinescu, M. Asavei, T. Dancus, I. Neagu, L. Boianu, A. Hooker, C. Barty, C. Haefner, C. TI LASER BEAM DELIVERY AT ELI-NP SO ROMANIAN REPORTS IN PHYSICS LA English DT Article DE ultra-short laser pulses; ultra-intense laser pulses; extreme light ID PULSE SYNTHESIS; HIGH-POWER; GENERATION; COMBINATION; SUPPRESSION; CONTRAST; MIRROR AB The Laser Beam Delivery (LBD) system technical design report covers the interface between the High Power Laser System (HPLS) and the experiments, together with the pulse quality management. The laser transport part of the LBD has a number of subsystems as follows: the beam transport lines for the six main outputs of HPLS, the additional short and long pulses and the synchronization system including the timing of the laser pulses with the Gamma Beam System (GBS) and the experiments on femtosecond timescale. Pulse quality management, discussed further here, consist in the generation and delivery of multiple HPLS pulses, coherent combining of the HPLS arms, laser pulse diagnostics on target, laser beam dumps, shutters and output energy adaption. C1 [Ursescu, D.; Dabu, R.; Cernaianu, M. O.; Asavei, T.; Dancus, I.; Neagu, L.; Boianu, A.] Horia Hulubei Natl Inst Phys & Nucl Engn, ELI NP, 30 Reactorului St, RO-077125 Bucharest, Romania. [Cheriaux, G.; Audebert, P.] Ecole Polytech, Lab Utilisat Lasers Intenses, Route Saclay, F-91128 Palaiseau, France. [Kalashnikov, M.] Max Born Inst, Max Born Str, D-12489 Berlin, Germany. [Toncian, T.; Cerchez, M.] Heinrich Heine Univ, Moorenstr 5, D-40225 Dusseldorf, Germany. [Kaluza, M.; Paulus, G.] Univ Jena, Furstengraben 1, D-07743 Jena, Germany. [Priebe, G.] European XFEL, Albert Einstein Ring 19, D-22761 Hamburg, Germany. [Dinescu, M.] INFLPR, Natl Inst Lasers Plasma & Radiat Phys, Atomistilor 409, Magurele 077125, Romania. [Hooker, C.] STFC Rutherford Appleton Lab, Cent Laser Facil, Oxford OX11 0QX, England. [Barty, C.; Haefner, C.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. RP Ursescu, D (reprint author), Horia Hulubei Natl Inst Phys & Nucl Engn, ELI NP, 30 Reactorului St, RO-077125 Bucharest, Romania. EM daniel.ursescu@eli-np.ro RI Ursescu, Daniel/F-2216-2010 OI Ursescu, Daniel/0000-0002-0612-670X FU Project Extreme Light Infrastructure - Nuclear Physics (ELI-NP) - Phase I; European Union through the European Regional Development Fund; Romanian Government FX D. Ursescu, R. Dabu, M. O. Cernaianu, I. Dancus, L. Neagu, T. Asavei and A. Boianu were supported by the Project Extreme Light Infrastructure - Nuclear Physics (ELI-NP) - Phase I, a project co-financed by the Romanian Government and European Union through the European Regional Development Fund. NR 32 TC 1 Z9 1 U1 19 U2 19 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 2016 VL 68 SU 1 BP S11 EP S36 PG 26 WC Physics, Multidisciplinary SC Physics GA DS2LT UT WOS:000380601700003 ER PT J AU Li, YB Li, DL David, SA Lim, YC Feng, Z AF Li, Y. B. Li, D. L. David, S. A. Lim, Y. C. Feng, Z. TI Microstructures of magnetically assisted dual-phase steel resistance spot welds SO SCIENCE AND TECHNOLOGY OF WELDING AND JOINING LA English DT Article DE Dual-phase steel; Electromagnetic stirring; Grain refinement; Microstructure; Resistance spot welding; Soft zone ID MECHANICAL-PROPERTIES; STRENGTH; FIELD; MACROSEGREGATION; IMPROVEMENT; MARTENSITE; CARBON; MODEL; POOL AB Traditional spot welds and magnetically assisted spot welds were made in 2.25 mm thick galvanised dual-phase steel, and the weld microstructures were compared. The magnetically assisted weld nugget had a 'dog bone' shape, and it had an increased diameter, which indicates a larger load-bearing area that will improve mechanical performance. The fusion zone of the magnetically assisted welds had a finer and less-directional grain structure than the conventional welds, which would improve weld strength, plastic strains, and ductility. Both types of welds contained an unusual soft zone very close to the fusion zone that is thought to be an integral part of the fusion zone. The soft zone of the magnetically assisted welds was wider than the conventional welds. C1 [Li, Y. B.; Li, D. L.] Shanghai Jiao Tong Univ, Sch Mech Engn, State Key Lab Mech Syst & Vibrat, Shanghai 200030, Peoples R China. [Li, Y. B.; Li, D. L.] Shanghai Jiao Tong, Sch Mech Engn, Shanghai Key Lab Digital Manufacture Thin Walled, Shanghai, Peoples R China. [David, S. A.; Lim, Y. C.; Feng, Z.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Li, YB (reprint author), Shanghai Jiao Tong Univ, Sch Mech Engn, State Key Lab Mech Syst & Vibrat, Shanghai 200030, Peoples R China.; Li, YB (reprint author), Shanghai Jiao Tong, Sch Mech Engn, Shanghai Key Lab Digital Manufacture Thin Walled, Shanghai, Peoples R China. EM yongbinglee@sjtu.edu.cn OI Lim, Yong Chae/0000-0003-2177-3988 FU National Natural Science Foundation of China [51275300, 51322504, U1564204]; Program for New Century Excellent Talents in University by Ministry of Education of China [NCET-12-0361]; Program of Introducing Talents of Discipline to Universities [B06012]; Research Project of State Key Laboratory of Mechanical System and Vibration [MSVZD201411]; U. S. Department of Energy, Office of Vehicle Technologies, as part of the Lightweight Materials Program; U. S. Department of Energy [DE-AC05-00OR2272] FX The authors would like to thank Dr M. Tumuluru of U S Steel Research for reviewing the manuscript and for his valuable comments, and acknowledge the supports of National Natural Science Foundation of China (Grant Nos. 51275300, 51322504 and U1564204), Program for New Century Excellent Talents in University by Ministry of Education of China (NCET-12-0361), the Program of Introducing Talents of Discipline to Universities (Grant No. B06012) and the Research Project of State Key Laboratory of Mechanical System and Vibration (MSVZD201411). This research was also financially sponsored by the U. S. Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, as part of the Lightweight Materials Program. Oak Ridge National Laboratory (ORNL) is managed by UT-Battelle, LLC for the U. S. Department of Energy under Contract DE-AC05-00OR2272. NR 39 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1362-1718 EI 1743-2936 J9 SCI TECHNOL WELD JOI JI Sci. Technol. Weld. Join. PY 2016 VL 21 IS 7 BP 555 EP 563 DI 10.1080/13621718.2016.1141493 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DS1QZ UT WOS:000380372800004 ER PT J AU Lim, YC Sanderson, S Mahoney, M Wang, Y Chen, J David, SA Feng, Z AF Lim, Y. C. Sanderson, S. Mahoney, M. Wang, Y. Chen, J. David, S. A. Feng, Z. TI Fabrication of thick multilayered steel structure using A516 Grade 70 by multipass friction stir welding SO SCIENCE AND TECHNOLOGY OF WELDING AND JOINING LA English DT Article DE Friction stir weld; Multilayer; High strength low alloy steel; Mechanical properties ID ENHANCED MECHANICAL-PROPERTIES; MICROSTRUCTURE; TOUGHNESS; EVOLUTION; STRENGTH; ALLOY AB In the present work, a thick-sectioned multilayered steel structure was fabricated by multipass friction stir welding on A516 Grade 70 steel. Tensile strength of the multilayered samples was comparable to that of the base metal. Failure was located in the base metal when a defect-free sample was tested. Charpy impact toughness was higher in the stir zone and heat affected zone than in the base metal. Higher microhardness values were found in the stir zone and heat affected zone than the base metal due to grain refinement and modification of the microstructures. Consequently, improved mechanical properties compared to the base metal were found in the weld zones of friction stir welded A516 Grade 70 steel. C1 [Lim, Y. C.; Wang, Y.; Chen, J.; David, S. A.; Feng, Z.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Sanderson, S.] MegaStir Technol LLC, 333 West 2230 North, Provo, UT 84604 USA. [Mahoney, M.] 1161 W Sunburst Lane, Midway, UT 84049 USA. RP Feng, Z (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM fengz@ornl.gov OI Lim, Yong Chae/0000-0003-2177-3988 FU Fuel Cell Technologies Office and Advanced Manufacturing Office; U.S. Department of Energy [DE-AC05-00OR22725]; U.S. Department of Energy Office of Energy Efficiency and Renewable Energy FX The authors would like to acknowledge the financial support of the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office and Advanced Manufacturing Office. Oak Ridge National Laboratory is managed by UT-Battelle, LLC for the U.S. Department of Energy under Contract DE-AC05-00OR22725. NR 25 TC 0 Z9 0 U1 6 U2 6 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1362-1718 EI 1743-2936 J9 SCI TECHNOL WELD JOI JI Sci. Technol. Weld. Join. PY 2016 VL 21 IS 7 BP 564 EP 569 DI 10.1080/13621718.2016.1142138 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DS1QZ UT WOS:000380372800005 ER PT J AU Xu, W Sun, X AF Xu, W. Sun, X. TI Numerical investigation of electromagnetic pulse welded interfaces between dissimilar metals SO SCIENCE AND TECHNOLOGY OF WELDING AND JOINING LA English DT Article DE Impact welding; Pulse welding; Wavy interface; Intermetallic compounds ID ALUMINUM-ALLOY; WAVE FORMATION; MICROSTRUCTURE; MECHANISM; SIMULATIONS; STRENGTH; STRESS; SHEETS; JOINT; RATES AB The quality of an electromagnetic pulse weld is strongly affected by a variety of interacting physical phenomena including large plastic deformation, materials mixing, localised heating and rapid cooling, and possible localised melting and interfacial cracks and void. In the present study, a thermomechanically coupled dynamic model has been developed to quantitatively resolve the high speed impact joining interface characteristics as well as the process induced interface temperature evolution, defect formation and possible microstructural composition variations. Reasonably good agreement has been obtained between the predicted results and the experimental measurements in terms of interfacial morphology characteristics. The modelling framework is expected to provide further understanding of the hierarchical interfacial features of the non-equilibrium material joining process and the weld formation mechanisms. C1 [Xu, W.; Sun, X.] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. RP Sun, X (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. EM xin.sun@pnnl.gov FU U.S. Department of Energy (DOE) [DE-AC05-76RL01830]; DOE's Office of FreedomCAR and Vehicle Technologies under the Automotive Light-weighting Materials Program FX Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy (DOE) under Contract DE-AC05-76RL01830. This work was funded by the DOE's Office of FreedomCAR and Vehicle Technologies under the Automotive Light-weighting Materials Program managed by Dr William Joost, and the results are part of the Ford-led project on 'Pulsed Joining of Body-In-White Components.' NR 52 TC 2 Z9 2 U1 8 U2 8 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1362-1718 EI 1743-2936 J9 SCI TECHNOL WELD JOI JI Sci. Technol. Weld. Join. PY 2016 VL 21 IS 7 BP 592 EP 599 DI 10.1179/1362171815Y.0000000092 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DS1QZ UT WOS:000380372800009 ER PT J AU Zhang, GN Webster, CG Gunzburger, M Burkardt, J AF Zhang, Guannan Webster, Clayton G. Gunzburger, Max Burkardt, John TI Hyperspherical Sparse Approximation Techniques for High-Dimensional Discontinuity Detection SO SIAM REVIEW LA English DT Article DE discontinuity detection; hyperspherical coordinates; adaptive approximations; sparse grid interpolation; discrete projection; least squares; compressed sensing; hierarchical methods ID PARTIAL-DIFFERENTIAL-EQUATIONS; STOCHASTIC COLLOCATION METHOD; RANDOM INPUT DATA; GRIDS; INTEGRATION; QUADRATURE AB This work proposes a hyperspherical sparse approximation framework for detecting jump discontinuities in functions in high-dimensional spaces. The need for a novel approach results from the theoretical and computational inefficiencies of well-known approaches, such as adaptive sparse grids, for discontinuity detection. Our approach constructs the hyperspherical coordinate representation of the discontinuity surface of a function. Then sparse approximations of the transformed function are built in the hyperspherical coordinate system, with values at each point 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. Several approaches are used to approximate the transformed discontinuity surface in the hyperspherical system, including adaptive sparse grid and radial basis function interpolation, discrete least squares projection, and compressed sensing approximation. Moreover, hierarchical acceleration techniques are also incorporated to further reduce the overall complexity. Rigorous complexity analyses of the new methods are provided, as are several numerical examples that illustrate the effectiveness of our approach. C1 [Zhang, Guannan; Webster, Clayton G.] Oak Ridge Natl Lab, Dept Computat & Appl Math, Oak Ridge, TN 37831 USA. [Gunzburger, Max; Burkardt, John] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. RP Zhang, GN (reprint author), Oak Ridge Natl Lab, Dept Computat & Appl Math, 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, FA9550-15-1-0001]; U.S. Defense Advanced Research Projects Agency, Defense Sciences Office [HR0011619523, 1868-A017-15]; 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 [DE-AC05-00OR22725] FX This material is based upon work supported in part by the U.S. Air Force of Scientific Research under grants 1854-V521-12 and FA9550-15-1-0001; the U.S. Defense Advanced Research Projects Agency, Defense Sciences Office under contract and award HR0011619523 and 1868-A017-15; the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program under contracts and awards 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 35 TC 2 Z9 2 U1 0 U2 1 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 0036-1445 EI 1095-7200 J9 SIAM REV JI SIAM Rev. PY 2016 VL 58 IS 3 BP 517 EP 551 DI 10.1137/16M1071699 PG 35 WC Mathematics, Applied SC Mathematics GA DS9IX UT WOS:000381097400005 ER PT S AU Wang, H Lee, SM Lin, HT Stafford, R AF Wang, Hong Lee, Sung-Min Lin, Hua-Tay Stafford, Randy BE Meyendorf, NG Matikas, TE Peters, KJ TI Performance of PZT stacks under high-field electric cycling at various temperatures in heavy-duty diesel engine fuel injectors SO SMART MATERIALS AND NONDESTRUCTIVE EVALUATION FOR ENERGY SYSTEMS 2016 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Smart Materials and Nondestructive Evaluation for Energy Systems 2016 CY MAR 21-23, 2016 CL Las Vegas, NV SP SPIE, Polytec Inc, OZ Opt Ltd, APS Dynam Inc, TA Electroforce Corp, ElectroForce Syst Grp, Inst Phys, Amer Elements DE Piezo stack; cyclic fatigue; temperature; high field; fuel injector; diesel engine ID ZIRCONATE-TITANATE CERAMICS; PIEZOELECTRIC CERAMICS; MULTILAYER ACTUATORS; FATIGUE; DEPENDENCE; LIFETIME AB Testing and characterization of large prototype lead zirconate titanate (PZT) stacks present substantial technical challenges to electronic systems. The work in this study shows that an alternative approach can be pursued by using subunits extracted from prototype stacks. Piezoelectric and dielectric integrity was maintained even though the PZT plate specimens experienced an additional loading process involved with the extraction after factory poling. Extracted 10-layer plate specimens were studied by an electric cycle test under an electric field of 3.0/0.0 kV/mm, 100 Hz to 108 cycles, both at room temperature (22 degrees C) and at 50 degrees C. The elevated temperature had a defined impact on the fatigue of PZT stacks. About 48 and 28% reductions were observed in the piezoelectric and dielectric coefficients, respectively, after 108 cycles at 50 degrees C, compared with reductions of 25 and 15% in the respective coefficients at 22 degrees C. At the same time, the loss tangent varied to a limited extent. The evolution of PZT-electrode interfacial layers or nearby dielectric layers should account for the difference in the fatigue rates of piezoelectric and dielectric coefficients. But the basic contribution to observed fatigue may result from the buildup of a bias field that finally suppressed the motion of the domain walls. Finally, monitoring of dielectric coefficients can be an effective tool for on-line lifetime prediction of PZT stacks in service if a failure criterion is defined properly. C1 [Wang, Hong; Lee, Sung-Min] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Lin, Hua-Tay] Guangdong Univ Technol, Sch Mech & Elect Engn, Guangzhou 510006, Guangdong, Peoples R China. [Stafford, Randy] Cummins Inc, Columbus, IN 47201 USA. RP Wang, H (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM wangh@ornl.gov RI Wang, Hong/O-1987-2016 OI Wang, Hong/0000-0002-0173-0545 NR 25 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 978-1-5106-0047-8 J9 PROC SPIE PY 2016 VL 9806 AR 98060Q DI 10.1117/12.2219414 PG 11 WC Energy & Fuels; Materials Science, Multidisciplinary; Optics SC Energy & Fuels; Materials Science; Optics GA BF4JI UT WOS:000381078800019 ER PT S AU Wang, H Wang, JAJ Ren, F Chan, J AF Wang, Hong Wang, Jy-An John Ren, Fei Chan, John BE Meyendorf, NG Matikas, TE Peters, KJ TI Smart patch integration development of compression connector structural health monitoring in overhead transmission lines SO SMART MATERIALS AND NONDESTRUCTIVE EVALUATION FOR ENERGY SYSTEMS 2016 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Smart Materials and Nondestructive Evaluation for Energy Systems 2016 CY MAR 21-23, 2016 CL Las Vegas, NV SP SPIE, Polytec Inc, OZ Opt Ltd, APS Dynam Inc, TA Electroforce Corp, ElectroForce Syst Grp, Inst Phys, Amer Elements DE PZT; smart patch; integration; structural health monitoring; compression connector; transmission lines ID LEAD-ZIRCONATE-TITANATE; HIGH-ELECTRIC-FIELD; TEMPERATURE; STRENGTH AB Integration of smart patches into full-tension splice connectors in overhead power transmission lines was investigated. Lead zirconate titanate (PZT) -5A was used as a smart material and an aluminum beam was used as a host structure. Negative electrode termination was examined by using copper adhesive tape and direct bonding methods. Various commercial adhesives were studied for PZT integration onto the host structure. Aluminum beam specimens with integrated PZT smart patches were tested under thermal cycling at a temperature of 125 degrees C, which is the higher-end temperature experienced by in-service aluminum conductor steel-reinforced cables. Electromechanical impedance (EMI) measurements were conducted at room temperature, and the root mean square deviation (RMSD) of the conductance signals was used to analyze the EMI data. It has been shown that the negative electrode method has an important effect on the performance of the integrated PZT. The PZT displayed more susceptibility to cracking when copper tape was used than when direct bonding was used. The reliability of PZT in direct bonding depended on the adhesives used in bonding layers. Although a hard alumina-based adhesive can lead to cracking of the PZT, a high-temperature epoxy with adequate flexibility, such as Duralco 4538D, can provide the desired performance under target thermal cycling conditions. The RMSD parameter can characterize conductance signatures effectively. It also was demonstrated that RMSD can be used to quantify the fatigue of the PZT integration system, although RMSD is used primarily as a damage index in monitoring structural health. C1 [Wang, Hong; Wang, Jy-An John] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Ren, Fei] Temple Univ, Philadelphia, PA 19122 USA. [Chan, John] Elect Power Res Inst, 3412 Hillview Ave, Palo Alto, CA 94304 USA. RP Wang, H (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM wangh@ornl.gov RI Wang, Hong/O-1987-2016; OI Wang, Hong/0000-0002-0173-0545; Wang, Jy-An/0000-0003-2402-3832 NR 18 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 978-1-5106-0047-8 J9 PROC SPIE PY 2016 VL 9806 AR 980606 DI 10.1117/12.2218669 PG 11 WC Energy & Fuels; Materials Science, Multidisciplinary; Optics SC Energy & Fuels; Materials Science; Optics GA BF4JI UT WOS:000381078800004 ER PT J AU Wang, H Gearhart, J Jones, K Frazier, C Nozick, L Levine, B Jones, D AF Wang, Hao Gearhart, Jared Jones, Katherine Frazier, Christopher Nozick, Linda Levine, Brian Jones, Dean TI Estimation of an Origin-Destination Table for US Imports of Waterborne Containerized Freight SO TRANSPORTATION RESEARCH RECORD LA English DT Article AB This paper presents a probabilistic origin destination table for water-borne containerized imports. The analysis makes use of 2012 Port Import/Export Reporting Service data, 2012 Surface Transportation Board waybill data, a gravity model, and information on the landside transportation mode split associated with specific ports. This analysis suggests that about 70% of the origin destination table entries have a coefficient of variation of less than 20%. This 70% of entries is associated with about 78% of the total volume. This analysis also makes evident the importance of rail interchange points in Chicago, Illinois; Memphis, Tennessee; Dallas, Texas; and Kansas City, Missouri, in supporting the transportation of containerized goods from Asia through West Coast ports to the eastern United States. C1 [Wang, Hao; Nozick, Linda] Cornell Univ, Sch Civil & Environm Engn, Coll Engn, Hollister Hall, Ithaca, NY 14850 USA. [Gearhart, Jared; Jones, Katherine; Frazier, Christopher; Jones, Dean] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Levine, Brian] MTA New York City Transit, A17-100,2 Broadway, New York, NY 10004 USA. RP Wang, H (reprint author), Cornell Univ, Sch Civil & Environm Engn, Coll Engn, Hollister Hall, Ithaca, NY 14850 USA. EM hw483@cornell.edu NR 12 TC 0 Z9 0 U1 0 U2 0 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0361-1981 EI 2169-4052 J9 TRANSPORT RES REC JI Transp. Res. Record PY 2016 IS 2548 BP 35 EP 42 DI 10.3141/2548-05 PG 8 WC Engineering, Civil; Transportation; Transportation Science & Technology SC Engineering; Transportation GA DT8YH UT WOS:000381781100006 ER PT J AU Might, KR Martinez, SA Karin, N Lin, G Tarasevich, B Pool, RR AF Might, Kelly R. Martinez, Steven A. Karin, Norman Lin, Genyao Tarasevich, Barbara Pool, Roy R. TI The effect of lysophosphatidic acid using a hydrogel or collagen sponge carrier on bone healing in dogs SO VETERINARY AND COMPARATIVE ORTHOPAEDICS AND TRAUMATOLOGY LA English DT Article DE Lysophosphatidic acid; hydrogel; polycaprolactone; bone healing; osteogenesis ID GROWTH-FACTOR DELIVERY; MORPHOGENETIC PROTEINS; OSTEOBLASTIC CELLS; G(I) PROTEINS; KINASE; SPHINGOSINE-1-PHOSPHATE; DEGRADATION; PATHWAYS; SIGNAL AB Objectives: The purposes of this study were to determine: 1) the efficacy of polycaprolactone- g-polyethylene glycol (PCL-g-PEG) and polylactic-co-glycolic acid (PLGA-g-PEG) hydrogels and an absorbable collagen sponge (ACS) as carriers for lysophosphatidic acid (LPA), 2) the effect of LPA on bone healing in dogs, and 3) the ideal dose of LPA to maximally stimulate bone healing. Methods: Bilateral ulnar ostectomies were performed on purpose bred dogs. Control defects were filled with a PCL-g-PEG or PLGA-g-PEG hydrogel, or a saline soaked ACS. Contralateral defects were filled with a PCL-g-PEG or PLGA-g-PEG hydrogel, or an ACS with each carrying differing concentrations of an LPA solution. Dual-energy X-ray absorptiometry (DXA) was performed. Total bone area (TBA), mineral density (BMD), and mineral content (BMC) were determined at each time point. Relationships between the effect of treatment over time on TBA, BMC and BMD were determined. Results: Phase 1 - There was no significant difference in DXA-based TBA (p = 0.09), BMC p = 0.33), or BMD (p = 0.74) over time between LPA treatments, or between the LPA treated and control groups TBA (p = 0.95), BMC (p = 0.99), or BMD (p = 0.46). Phase 2 - There was no significant difference over time between LPA treatments in DXA-based TBA (p = 0.33), BMC (p = 0.45), or BMD (p = 0.43), or between the LPA treated and control groups TBA (p = 0.94), BMC (p = 0.38), or BMD (p = 0.17). Phase 3 - There was no significant difference over time between LPA treatments in DXA-based TBA (p = 0.78), BMC (p = 0.88), or BMD (p = 0.35), or between the LPA treated and control groups TBA (p = 0.07), BMC (p = 0.85), or BMD (p = 0.06). There was a significant increase in TBA (p < 0.0001) and BMC (p = 0.0014), but a significant decrease in BMD (p < 0.0001) was noted over time when all groups were combined. Clinical significance: Although LPA has shown promise as an osteoinductive agent in research, its performance as a bone graft substitute, as utilized in this study, is unsupported. Further studies are necessary to determine the incorporation and elution kinetics of LPA from the PLGA-g-PEG hydrogel and from an ACS. Hydrogels may have clinical applications for delaying or preventing bone formation. C1 [Might, Kelly R.; Martinez, Steven A.] Washington State Univ, Comparat Orthoped Res Lab, Pullman, WA 99164 USA. [Karin, Norman] SUNY Buffalo, Roswell Pk Canc Inst, Buffalo, NY 14260 USA. [Lin, Genyao] Solvay, Leetsdale, PA USA. [Tarasevich, Barbara] Pacific Northwest Natl Lab, Richland, WA USA. [Pool, Roy R.] Texas A&M Univ, Dept Vet Pathobiol, Coll Vet Med & Biomed Sci, College Stn, TX USA. [Might, Kelly R.] 2919 Demona Dr, Austin, TX 78733 USA. RP Might, KR (reprint author), 2919 Demona Dr, Austin, TX 78733 USA. EM presmight@gmail.com FU Washington State Life Sciences Discovery Fund; Washington State University FX Funding for this project was obtained through a grant from the Washington State Life Sciences Discovery Fund and an intramural grant at Washington State University. This work was performed at the Washington State University College of Veterinary Medicine. NR 33 TC 0 Z9 0 U1 0 U2 0 PU SCHATTAUER GMBH-VERLAG MEDIZIN NATURWISSENSCHAFTEN PI STUTTGART PA HOLDERLINSTRASSE 3, D-70174 STUTTGART, GERMANY SN 0932-0814 J9 VET COMP ORTHOPAED JI Vet. Comp. Orthop. Traumatol. PY 2016 VL 29 IS 4 BP 306 EP 313 DI 10.3415/VCOT-15-08-0137 PG 8 WC Veterinary Sciences; Zoology SC Veterinary Sciences; Zoology GA DT1VY UT WOS:000381271400007 PM 27432270 ER PT J AU Bedekar, V Poplawsky, JD Guo, W Shivpuri, R Hyde, RS AF Bedekar, Vikram Poplawsky, Jonathan D. Guo, Wei Shivpuri, Rajiv Hyde, R. Scott TI Atomic migration of carbon in hard turned layers of carburized bearing steel SO CIRP ANNALS-MANUFACTURING TECHNOLOGY LA English DT Article; Proceedings Paper CT 66th General Assembly of the International-Academy-for-Production-Engineering (CIRP) CY AUG 21-27, 2016 CL Guimaraes, PORTUGAL SP Int Acad Prod Engn DE Hard machining; Nano structure; Carbon migration ID WHITE LAYERS; CEMENTITE DECOMPOSITION; NANOCRYSTALLINE ALLOYS; PLASTIC-DEFORMATION; PROBE TOMOGRAPHY; SOLUTE; SEGREGATION; MECHANISMS; WIRE AB Grain finement and non-equilibrium carbon segregation within grain boundaries alters the mechanical performance of hard turning layers in carburized bearing steel. An atom probe tomography (APT) study on the nanostructured hard turning layers reveals carbon migration to grain boundaries as a result of carbide decomposition during severe plastic deformation. In addition, samples exposed to different cutting speeds show that the carbon migration rate increases with the cutting speed. These two effects lead to an ultrafine carbon network structure resulting in increased hardness and thermal stability in the severely deformed surface layer. (C) 2016 CIRP. C1 [Bedekar, Vikram; Hyde, R. Scott] Timken World Headquarters, Mat Sci Res & Dev, North Canton, OH 44720 USA. [Poplawsky, Jonathan D.; Guo, Wei] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. [Shivpuri, Rajiv] Ohio State Univ, Dept Integrated Syst Engn, Columbus, OH 43210 USA. RP Shivpuri, R (reprint author), Ohio State Univ, Dept Integrated Syst Engn, Columbus, OH 43210 USA. EM shivpuri.1@osu.edu OI Poplawsky, Jonathan/0000-0002-4272-7043 NR 25 TC 0 Z9 0 U1 3 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0007-8506 EI 1726-0604 J9 CIRP ANN-MANUF TECHN JI CIRP Ann-Manuf. Technol. PY 2016 VL 65 IS 1 BP 85 EP 88 DI 10.1016/j.cirp.2016.04.009 PG 4 WC Engineering, Industrial; Engineering, Manufacturing SC Engineering GA DS2MI UT WOS:000380603200022 ER PT J AU Owen, JD Troutman, JR Harriman, TA Zare, A Wang, YQ Lucca, DA Davies, MA AF Owen, J. D. Troutman, J. R. Harriman, T. A. Zare, A. Wang, Y. Q. Lucca, D. A. Davies, M. A. TI The mechanics of milling of germanium for IR applications SO CIRP ANNALS-MANUFACTURING TECHNOLOGY LA English DT Article; Proceedings Paper CT 66th General Assembly of the International-Academy-for-Production-Engineering (CIRP) CY AUG 21-27, 2016 CL Guimaraes, PORTUGAL SP Int Acad Prod Engn DE Ultra-precision milling; Optical materials; Subsurface damage ID SILICON; GLASS AB Freeform germanium optics produced by single crystal diamond milling are important for infrared (IR) imaging applications. However the mechanics of interrupted cutting of germanium is not fully understood. This paper presents new findings from cutting experiments including: (1) uninterrupted orthogonal cutting and (2) interrupted flycutting of germanium. Forces are measured and the cutting mechanics are correlated with surface and subsurface measurements performed with: (1) atomic force microscopy, (2) confocal Raman spectroscopy, and (3) channeling Rutherford backscattering spectrometry. These fundamental results guide parameter choice for more complex freeform ball milling of optics for IR applications ranging from surveillance to medical imaging. (C) 2016 C1 [Owen, J. D.; Troutman, J. R.; Davies, M. A.] Univ N Carolina, Dept Mech Engn & Engn Sci, Ctr Precis Metrol, Charlotte, NC 28223 USA. [Harriman, T. A.; Zare, A.; Lucca, D. A.] Oklahoma State Univ, Sch Mech & Aerosp Engn, Stillwater, OK 74078 USA. [Wang, Y. Q.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM USA. RP Davies, MA (reprint author), Univ N Carolina, Dept Mech Engn & Engn Sci, Ctr Precis Metrol, Charlotte, NC 28223 USA. EM madavies@uncc.edu NR 13 TC 0 Z9 0 U1 2 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0007-8506 EI 1726-0604 J9 CIRP ANN-MANUF TECHN JI CIRP Ann-Manuf. Technol. PY 2016 VL 65 IS 1 BP 109 EP 112 DI 10.1016/j.cirp.2016.04.076 PG 4 WC Engineering, Industrial; Engineering, Manufacturing SC Engineering GA DS2MI UT WOS:000380603200028 ER PT J AU Waters, J Carrington, DB Pepper, DW AF Waters, Jiajia Carrington, David B. Pepper, Darrell W. TI AN ADAPTIVE FINITE ELEMENT METHOD WITH DYNAMIC LES FOR TURBULENT REACTIVE FLOWS SO Computational Thermal Sciences LA English DT Article DE dynamic LES; adaptive finite element; turbulence; reactive flow; predictor-corrector split ID LARGE-EDDY SIMULATION; BACKWARD-FACING STEP; HEAT-TRANSFER; CHANNEL FLOW; JET FLAME; MODEL; COMBUSTION AB A Vreman dynamic subgrid scale (SGS) large eddy simulation (LES) model is implemented in a predictor-corrector split h-adaptive finite element method (FEM) for modeling combustion. The use of h-adaptation provides a measurement of the actual error in the discretization, and can adjust spatial accuracy to control the error. By utilizing the dynamic model, laminar or turbulent flow can be automatically calculated. In this study, we try to validate this Vreman SGS LES model in just the fluid dynamics system by assuming all species are air and all results are compared with experimental data and RANS k - omega model. The model is tested by solving an 18 degrees ramp at a Mach number of 2.25 as well as unsteady turbulent flow over a backward-facing step. The high Mach number ramp demonstrates the ability of the model to capture shocks and shock-wave/boundary layer interactions. In the high Reynolds number backward-facing step, large eddies are resolved without the requirement of a fine mesh, in contrast to DNS, although it is finer than a RANS model would require. The reattachment length and instantaneous flow results compare well with published simulations and experimental data. C1 [Waters, Jiajia; Carrington, David B.] Los Alamos Natl Lab, Solid Mech & Fluid Dynam T3, Los Alamos, NM 87545 USA. [Pepper, Darrell W.] UNLV, Dept Mech Engn, Nevada Ctr Adv Computat Methods, Las Vegas, NV USA. RP Waters, J (reprint author), Los Alamos Natl Lab, Solid Mech & Fluid Dynam T3, Los Alamos, NM 87545 USA. EM wangj16@unlv.nevada.edu NR 30 TC 0 Z9 0 U1 1 U2 1 PU BEGELL HOUSE INC PI DANBURY PA 50 NORTH ST, DANBURY, CT 06810 USA SN 1940-2503 EI 1940-2554 J9 COMPUT THERM SCI JI Comput. Therm. Sci. PY 2016 VL 8 IS 1 BP 57 EP 71 DI 10.1615/ComputThermalScien.2016013809 PG 15 WC Thermodynamics SC Thermodynamics GA DS4VQ UT WOS:000380780100005 ER PT J AU Quigg, C AF Quigg, Chris TI Particle physics after the Higgs boson discovery: opportunities for the Large Hadron Collider SO CONTEMPORARY PHYSICS LA English DT Article DE electroweak symmetry breaking; Higgs boson; Large Hadron Collider; new particles and interactions ID ELECTROWEAK SYMMETRY-BREAKING; STANDARD MODEL; NOBEL LECTURE; WEAK-INTERACTIONS; MASSLESS PARTICLES; BROKEN SYMMETRIES; SEARCH; ATLAS; TESTS; DECAY AB The first run of the Large Hadron Collider at CERN brought the discovery of the Higgs boson, an apparently elementary scalar particle with a mass of 125 GeV, the avatar of the mechanism that hides the electroweak symmetry. A new round of experimentation is beginning, with the energy of the proton-proton colliding beams raised to 6.5 TeV per beam, from 4 TeV at the end of the first run. This article summarises what we have learned about the Higgs boson, and calls attention to some issues that will be among our central concerns in the near future. C1 [Quigg, Chris] Fermilab Natl Accelerator Lab, Dept Theoret Phys, POB 500, Batavia, IL 60510 USA. [Quigg, Chris] Ecole Normale Super, Lab Phys Theor, Inst Phys Theor Philippe Meyer, Paris 05, France. RP Quigg, C (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, POB 500, Batavia, IL 60510 USA.; Quigg, C (reprint author), Ecole Normale Super, Lab Phys Theor, Inst Phys Theor Philippe Meyer, Paris 05, France. EM quigg@fnal.gov FU United States Department of Energy [DE-AC02-07CH11359]; Fondation Meyer pour le developpement culturel et artistique FX I thank John Campbell for informative discussions and for providing the plots in Figure 6. Fermilab is operated by Fermi Research Alliance, LLC, under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. I am grateful to John Iliopoulos and the Fondation Meyer pour le developpement culturel et artistique for generous support in Paris. NR 91 TC 0 Z9 0 U1 2 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0010-7514 EI 1366-5812 J9 CONTEMP PHYS JI Contemp. Phys. PY 2016 VL 57 IS 2 BP 177 EP 187 DI 10.1080/00107514.2015.1078076 PG 11 WC Physics, Multidisciplinary SC Physics GA DS4JF UT WOS:000380746700003 ER PT J AU Schippers, S Kilcoyne, ALD Phaneuf, RA Muller, A AF Schippers, Stefan Kilcoyne, A. L. David Phaneuf, Ronald A. Mueller, Alfred TI Photoionisation of ions with synchrotron radiation: from ions in space to atoms in cages SO CONTEMPORARY PHYSICS LA English DT Article DE Photon-ion merged-beams technique; synchrotron radiation; atomic processes in plasmas; laboratory astrophysics; endohedral fullerenes ID CROSS-SECTION MEASUREMENTS; DIPOLE RESONANCE; SOLAR MODELS; ABSOLUTE; SHELL; IONIZATION; MECHANICS; BEAMLINE; ORIGIN AB The photon-ion merged-beams technique for the photoionisation of mass/charge selected ionised atoms, molecules and clusters by x-rays from synchrotron radiation sources is introduced. Examples for photoionisation of atomic ions are discussed by going from outer shell ionisation of simple few electron systems to inner shell ionisation of complex many electron ions. Fundamental ionisation mechanisms are elucidated and the importance of the results for applications in astrophysics and plasma physics is pointed out. Finally, the unique capabilities of the photon-ion merged-beams technique for the study of photoabsorption by nanoparticles are demonstrated by the example of endohedral fullerene ions. C1 [Schippers, Stefan] Univ Giessen, Inst Phys 1, Giessen, Germany. [Kilcoyne, A. L. David] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. [Phaneuf, Ronald A.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. [Mueller, Alfred] Univ Giessen, Inst Atom & Mol Phys, Giessen, Germany. RP Schippers, S (reprint author), Univ Giessen, Inst Phys 1, Giessen, Germany. EM Stefan.Schippers@physik.uni-giessen.de RI Muller, Alfred/A-3548-2009; Kilcoyne, David/I-1465-2013; Schippers, Stefan/A-7786-2008 OI Muller, Alfred/0000-0002-0030-6929; Schippers, Stefan/0000-0002-6166-7138 FU US Department of Energy (DOE) [DE-FG02-03ER15424, DE-AC03-76SF0098]; German Ministry of Education and Research (BMBF) [05KS7RG1, 05K10RG1]; Deutsche Forschungsgemeinschaft (DFG) [Mu1068/10, Mu1068/20, Mu1068/22]; NATO Collaborative Linkage [950911, 976362] FX Financial support over the years from the US Department of Energy (DOE, [grant number DE-FG02-03ER15424] and [grant number DE-AC03-76SF0098], from the German Ministry of Education and Research (BMBF, [grant number 05KS7RG1] and [grant number 05K10RG1], from Deutsche Forschungsgemeinschaft (DFG, [grant number Mu1068/10], [grant number Mu1068/20], and [grant number Mu1068/22], and through the NATO Collaborative Linkage [grant number 950911] and [grant number 976362] is gratefully acknowledged. NR 80 TC 3 Z9 3 U1 2 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0010-7514 EI 1366-5812 J9 CONTEMP PHYS JI Contemp. Phys. PY 2016 VL 57 IS 2 BP 215 EP 229 DI 10.1080/00107514.2015.1109771 PG 15 WC Physics, Multidisciplinary SC Physics GA DS4JF UT WOS:000380746700005 ER PT J AU Madronich, S Conley, AJ Lee-Taylor, J Kleinman, LI Hodzic, A Aumont, B AF Madronich, S. Conley, A. J. Lee-Taylor, J. Kleinman, L. I. Hodzic, A. Aumont, B. TI Non-linear partitioning and organic volatility distributions of urban aerosols SO FARADAY DISCUSSIONS LA English DT Article ID MEXICO-CITY; VAPOR-PRESSURE; SUBURBAN SITE; CARBON; GAS; ATMOSPHERE; EVOLUTION; EMISSIONS; STATE; SENSITIVITY AB Gas-to-particle partitioning of organic aerosols (OA) is represented in most models by Raoult's law, and depends on the existing mass of particles into which organic gases can dissolve. This raises the possibility of non-linear response of particle-phase OA mass to the emissions of precursor volatile organic compounds (VOCs) that contribute to this partitioning mass. Implications for air quality management are evident: a strong non-linear dependence would suggest that reductions in VOC emission would have a more-than-proportionate benefit in lowering ambient OA concentrations. Chamber measurements on simple VOC mixtures generally confirm the non-linear scaling between OA and VOCs, usually stated as a mass-dependence of the measured OA yields. However, for realistic ambient conditions including urban settings, no single component dominates the composition of the organic particles, and deviations from linearity are presumed to be small. Here we re-examine the linearity question using volatility spectra from several sources: (1) chamber studies of selected aerosols, (2) volatility inferred for aerosols sampled in two megacities, Mexico City and Paris, and (3) an explicit chemistry model (GECKO-A). These few available volatility distributions suggest that urban OA may be only slightly super-linear, with most values of the normalized sensitivity exponent in the range 1.1-1.3, also substantially lower than seen in chambers for some specific aerosols. The rather low exponents suggest that OA concentrations in megacities are not an inevitable convergence of non-linear effects, but can be addressed (much like in smaller urban areas) by proportionate reductions in emissions. C1 [Madronich, S.; Conley, A. J.; Lee-Taylor, J.; Hodzic, A.] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. [Kleinman, L. I.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Aumont, B.] Univ Paris Est Creteil, Lab Interuniv Syst Atmospher, CNRS, UMR 7583, F-94010 Creteil, France. [Aumont, B.] Univ Paris Diderot, F-94010 Creteil, France. RP Madronich, S (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. EM sasha@ucar.edu RI Madronich, Sasha/D-3284-2015 OI Madronich, Sasha/0000-0003-0983-1313 NR 50 TC 1 Z9 1 U1 9 U2 13 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 2016 VL 189 BP 515 EP 528 DI 10.1039/c5fd00209e PG 14 WC Chemistry, Physical SC Chemistry GA DR7SJ UT WOS:000380099700024 PM 27092376 ER PT B AU Bonney, MS Kammer, DC Brake, MRW AF Bonney, Matthew S. Kammer, Daniel C. Brake, Matthew R. W. GP ASME TI FULLY PARAMETERIZED REDUCED ORDER MODELS USING HYPER-DUAL NUMBERS AND COMPONENT MODE SYNTHESIS SO INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE, 2015, VOL 8 LA English DT Proceedings Paper CT ASME International Design Engineering Technical Conferences and Computers and Information in Engineering Conference CY AUG 02-05, 2015 CL Boston, MA SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div AB The uncertainty of a system is usually quantified with the use of sampling methods such as Monte-Carlo or Latin hyper cube sampling. These sampling methods require many computations of the model and may include re-meshing. The re-solving and re-meshing of the model is a very large computational burden. One way to greatly reduce this computational burden is to use a parameterized reduced order model. This is a model that contains the sensitivities of the desired results with respect to changing parameters such as Young's modulus. The typical method of computing these sensitivities is the use of finite difference technique that gives an approximation that is subject to truncation error and subtractive cancellation due to the precision of the computer. One way of eliminating this error is to use hyper dual numbers, which are able to generate exact sensitivities that are not subject to the precision of the computer. This paper uses the concept of hyper-dual numbers to parameterize a system that is composed of two substructures in the form of Craig-Bampton substructure representations, and combine them using component mode synthesis. The synthesis transformations using other techniques require the use of a nominal transformation while this approach allows for exact transformations when a perturbation is applied. This paper presents this technique for a planar motion frame and compares the use and accuracy of the approach against the true full system. This work lays the groundwork for performing component mode synthesis using hyper-dual numbers. C1 [Bonney, Matthew S.; Kammer, Daniel C.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Brake, Matthew R. W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bonney, MS (reprint author), Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. EM msbonney@wisc.edu; kammer@engr.wisc.edu; mrbrake@sandia.gov NR 6 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-5718-2 PY 2016 AR V008T13A021 PG 7 WC Engineering, Mechanical SC Engineering GA BF1NY UT WOS:000380414000021 ER PT J AU Lee, EG Ashley, K Breuer, D Brisson, MJ Harper, M Thom, C AF Lee, Eun Gyung Ashley, Kevin Breuer, Dietmar Brisson, Michael J. Harper, Martin Thom, Christian TI Workplace air quality: International consensus standards SO JOURNAL OF OCCUPATIONAL AND ENVIRONMENTAL HYGIENE LA English DT Editorial Material DE Air quality; ASTM International; Comite Europeen de Normalisation (CEN); consensus standards; International Organization for Standardization (ISO); workplace atmospheres C1 [Lee, Eun Gyung; Harper, Martin] NIOSH, Hlth Effects Lab Div, Exposure Assessment Branch, 1095 Willowdale Rd, Morgantown, WV 26505 USA. [Ashley, Kevin] NIOSH, Div Appl Res & Technol, 1095 Willowdale Rd, Morgantown, WV 26505 USA. [Breuer, Dietmar] Inst Occupat Safety & Hlth German Social Accident, St Augustin, Germany. [Brisson, Michael J.] Savannah River Natl Lab, Aiken, SC USA. [Thom, Christian] DIN, German Inst Standardizat, Berlin, Germany. RP Lee, EG (reprint author), NIOSH, Hlth Effects Lab Div, Exposure Assessment Branch, 1095 Willowdale Rd, Morgantown, WV 26505 USA. EM dtq.@cdc.gov FU Intramural CDC HHS [CC999999] NR 3 TC 0 Z9 0 U1 0 U2 0 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1545-9624 EI 1545-9632 J9 J OCCUP ENVIRON HYG JI J. Occup. Environ. Hyg. PY 2016 VL 13 IS 7 BP D111 EP D117 DI 10.1080/15459624.2016.1163710 PG 7 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA DS0JE UT WOS:000380280700001 PM 26963429 ER PT S AU Jimenez, JR Solis-Najera, S Tomasi, D Rodriguez, AO AF Ramon Jimenez, Juan Solis-Najera, Sergio Tomasi, Dardo Odon Rodriguez, Alfredo BE MassillonJL, G Fossion, R RosadoMendez, IM AvilaRodriguez, MA LopezPerez, DA TI B1 Uniformity Correction of a Slotted end-ring Coil with Mean-shift Filtering at 4 Tesla SO MEDICAL PHYSICS: Fourteenth Mexican Symposium on Medical Physics SE AIP Conference Proceedings LA English DT Proceedings Paper CT 14th Mexican Symposium on Medical Physics CY MAR 18-21, 2016 CL Mexico City, MEXICO SP Int Org Med Phys, Int Ctr Theoret Phys, Amer Assoc Physicist in Med, British Royal Soc, Univ Nacl Autonoma Mexico, Phys Inst, Univ Nacl Autonoma Mexico, Coordinac Investigac Cientifica, Univ Nacl Autonoma Mexico, PCF ID GRADIENT AB The quality of magnetic resonance images is greatly affected by the field uniformity of the RF coil. This problem used to detect the signal. There is a growing interest in high field magnetic resonance imaging mainly in applications involving animal models to study a variety of important diseases, where the image quality is of paramount importance. In the past 20 years a number of digital-processing image methodologies have been proposed to overcome this problem. Among these techniques, the mean-shift scheme has proved to be an efficient and reliable method at intermediate field magnetic resonance imaging The goal in this work is to apply the mean-shift scheme to phantom images with poor uniformity acquired with whole-body magnetic resonance imager at 4 Tesla. C1 [Ramon Jimenez, Juan; Odon Rodriguez, Alfredo] Univ Autonoma Metropolitana Iztapalapa, Dept Ingn Elect, Cd Mx 09340, Mexico. [Solis-Najera, Sergio] Univ Nacl Autonoma Mexico, Fac Ciencias, Cd Mx 04510, Mexico. [Tomasi, Dardo] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Jimenez, JR (reprint author), Univ Autonoma Metropolitana Iztapalapa, Dept Ingn Elect, Cd Mx 09340, Mexico. EM arog@xanum.uam.mx; jajr@xanum.uam.mx; solisnajera@gmail.com; tomasi@bnl.gov NR 9 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 978-0-7354-1404-4 J9 AIP CONF PROC PY 2016 VL 1747 AR 070004 DI 10.1063/1.4954120 PG 6 WC Biophysics; Physics, Applied; Radiology, Nuclear Medicine & Medical Imaging SC Biophysics; Physics; Radiology, Nuclear Medicine & Medical Imaging GA BF4FG UT WOS:000380810000033 ER PT J AU Jones, JR Rouet, FH Lawler, KV Vecharynski, E Ibrahim, KZ Williams, S Abeln, B Yang, C McCurdy, W Haxton, DJ Li, XYS Rescigno, TN AF Jones, Jeremiah R. Rouet, Francois-Henry Lawler, Keith V. Vecharynski, Eugene Ibrahim, Khaled Z. Williams, Samuel Abeln, Brant Yang, Chao McCurdy, William Haxton, Daniel J. Li, Xiaoye S. Rescigno, Thomas N. TI An efficient basis set representation for calculating electrons in molecules SO MOLECULAR PHYSICS LA English DT Article DE Sinc function; basis set; electronic structure; resolution-of-the-identity ID DISCRETE VARIABLE REPRESENTATION; TRANSFORM COULOMB METHOD; MATRIX KOHN METHOD; REACTIVE SCATTERING; FINITE-DIFFERENCE; CONDENSED-PHASE; SYSTEMS; CUBANE; HAMILTONIANS; SIMULATION AB The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) [1] is generalised to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronicwave functions of molecules. It uses a basis set of product sinc functions arrayed on a Cartesian grid, and yields 1 kcal/mol precision for valence transition energies with a grid resolution of approximately 0.1 bohr. The Coulomb matrix elements are replaced with matrix elements obtained from the kinetic energy operator. A resolution-of-the-identity approximation renders the primitive one-and two-electron matrix elements diagonal; in other words, the Coulomb operator is local with respect to the grid indices. The calculation of contracted two-electron matrix elements among orbitals requires only O(Nlog (N)) multiplication operations, not O(N-4), where N is the number of basis functions; N = n(3) on cubic grids. The representation not only is numerically expedient, but also produces energies and properties superior to those calculated variationally. Absolute energies, absorption cross sections, transition energies, and ionisation potentials are reported for 1- (He+, H-2(+)), 2- (H-2, He), 10- (CH4), and 56-electron (C8H8) systems. [GRAPHICS] . C1 [Rouet, Francois-Henry; Vecharynski, Eugene; Ibrahim, Khaled Z.; Williams, Samuel; Yang, Chao; Li, Xiaoye S.] Lawrence Berkeley Natl Lab, Comp Sci, Berkeley, CA 94720 USA. [Lawler, Keith V.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Abeln, Brant; McCurdy, William] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Abeln, Brant; McCurdy, William; Haxton, Daniel J.] Lawrence Berkeley Natl Lab, Ultrafast Xray Sci Lab, Berkeley, CA USA. [Jones, Jeremiah R.; Abeln, Brant; McCurdy, William; Haxton, Daniel J.; Rescigno, Thomas N.] Lawrence Berkeley Natl Lab, Chem Sci, Berkeley, CA 94720 USA. [Jones, Jeremiah R.] Arizona State Univ, Dept Math, Tempe, AZ 85287 USA. RP Jones, JR (reprint author), Lawrence Berkeley Natl Lab, Chem Sci, Berkeley, CA 94720 USA.; Jones, JR (reprint author), Arizona State Univ, Dept Math, Tempe, AZ 85287 USA. EM jrjones.@asu.edu FU US Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences [DE-AC02-05CH11231]; US Department of Energy [DESC0007182] FX This work was supported by the US Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences [Grant Number DE-AC02-05CH11231]; US Department of Energy [Grant Number DESC0007182]. NR 66 TC 1 Z9 1 U1 5 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0026-8976 EI 1362-3028 J9 MOL PHYS JI Mol. Phys. PY 2016 VL 114 IS 13 BP 2014 EP 2028 DI 10.1080/00268976.2016.1176262 PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DS2CR UT WOS:000380533300002 ER PT S AU Clayton, DA AF Clayton, Dwight A. BE Yu, T Gyekenyes, AL Shull, PJ Wu, HF TI Improving Synthetic Aperture Focusing Technique for Thick Concrete Specimens via Frequency Banding SO NONDESTRUCTIVE CHARACTERIZATION AND MONITORING OF ADVANCED MATERIALS, AEROSPACE, AND CIVIL INFRASTRUCTURE 2016 SE Proceedings of SPIE LA English DT Proceedings Paper CT Nondestructive Characterization and Monitoring of Advanced Materials, Aerospace, and Civil Infrastructure 2016 CY MAR 21-24, 2016 CL LAS VEGAS, NE SP SPIE, Polytec, Inc., OZ Optics, Ltd., APS Dynamics, Inc., The ElectroForce Systems Grp of TA Electroforce Corp, The Inst of Phys, American Elements DE concrete; nondestructive evaluation; thick concrete; nuclear energy AB A multitude of concrete-based structures are typically part of a light water reactor (LWR) plant to provide the foundation, support, shielding, and containment functions. This use has made its long-term performance crucial for the safe operation of commercial nuclear power plants (NPPs). Extending reactor life to 60 years and beyond will likely increase susceptibility and severity of known forms of degradation. While standard Synthetic Aperture Focusing Technique (SAFT) is adequate for many defects with shallow concrete cover, some defects located under deep concrete cover are not easily identified using the standard SAFT. For many defects, particularly defects under deep cover, the use of frequency banded SAFT improves the detectability over standard SAFT. In addition to the improved detectability, the frequency banded SAFT also provides improved scan depth resolution that can be important in determining the suitability of a particular structure to perform its designed safety function. 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 NDE technique. Because conditions in the laboratory are controlled, the number of unknown variables can be decreased, making it possible to focus on specific aspects, investigate them in detail, and gain further information on the capabilities and limitations of each method. To validate the advantages of frequency banded SAFT on thick concrete, a 2.134 m x 2.134 m x 1.016 m concrete test specimen with twenty deliberately embedded defects was fabricated. C1 [Clayton, Dwight A.] Oak Ridge Natl Lab, One Bethel Valley Rd, 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 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 978-1-5106-0045-4 J9 PROC SPIE PY 2016 VL 9804 AR 98041D DI 10.1117/12.2218278 PG 8 WC Materials Science, Multidisciplinary; Optics; Physics, Applied SC Materials Science; Optics; Physics GA BF3XG UT WOS:000380590300038 ER PT S AU Koskelo, EC Flynn, EB AF Koskelo, EliseAnne C. Flynn, Eric B. BE Yu, T Gyekenyes, AL Shull, PJ Wu, HF TI Scanning laser ultrasound and wavenumber spectroscopy for in-process inspection of additively manufactured parts SO NONDESTRUCTIVE CHARACTERIZATION AND MONITORING OF ADVANCED MATERIALS, AEROSPACE, AND CIVIL INFRASTRUCTURE 2016 SE Proceedings of SPIE LA English DT Proceedings Paper CT Nondestructive Characterization and Monitoring of Advanced Materials, Aerospace, and Civil Infrastructure 2016 CY MAR 21-24, 2016 CL LAS VEGAS, NE SP SPIE, Polytec, Inc., OZ Optics, Ltd., APS Dynamics, Inc., The ElectroForce Systems Grp of TA Electroforce Corp, The Inst of Phys, American Elements DE Nondestructive testing; additive manufacturing; ultrasound; wavenumber spectroscopy AB We present a new in-process laser ultrasound inspection technique for additive manufacturing. Ultrasonic energy was introduced to the part by attaching an ultrasonic transducer to the printer build-plate and driving it with a single-tone, harmonic excitation. The full-field response of the part was measured using a scanning laser Doppler vibrometer after each printer layer. For each scan, we analyzed both the local amplitudes and wavenumbers of the response in order to identify defects. For this study, we focused on the detection of delamination between layers in a fused deposition modeling process. Foreign object damage, localized heating damage, and the resulting delamination between layers were detected in using the technique as indicated by increased amplitude and wavenumber responses within the damaged area. C1 [Koskelo, EliseAnne C.; Flynn, Eric B.] Los Alamos Natl Lab, 4200 W Jemez Rd, Los Alamos, NM 87544 USA. RP Flynn, EB (reprint author), Los Alamos Natl Lab, 4200 W Jemez Rd, Los Alamos, NM 87544 USA. OI Koskelo, EliseAnne/0000-0002-0440-565X; Flynn, Eric/0000-0003-0965-7052 NR 7 TC 0 Z9 0 U1 4 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 978-1-5106-0045-4 J9 PROC SPIE PY 2016 VL 9804 AR 980418 DI 10.1117/12.2222130 PG 21 WC Materials Science, Multidisciplinary; Optics; Physics, Applied SC Materials Science; Optics; Physics GA BF3XG UT WOS:000380590300034 ER PT J AU Waters, J Carrington, DB AF Waters, Jiajia Carrington, David B. TI A parallel Large Eddy Simulation in a finite element projection method for all flow regimes SO NUMERICAL HEAT TRANSFER PART A-APPLICATIONS LA English DT Article ID BACKWARD-FACING STEP; TURBULENT COMBUSTION; CIRCULAR-CYLINDER; HEAT-TRANSFER; MODEL; FLAME AB A new Finite Element Method (FEM) system has been developed for engine and combustion modeling, KIVA-hpFE. This new FEM uses a projection method for the solution of the momentum equations and runs on parallel computer systems using the Message Passing Interface (MPI). The modeled fluid is multispecies and employs either Reynolds Averaged Navier-Stokes (RANS) (k-(omega) over bar) or a dynamic Large Eddy Simulation (LES) model for the solution of turbulent reactive flow. This FEM-based code provides an excellent platform for developing better in-cylinder fuel and species evolution. A dynamic LES method applicable through transitional to fully turbulent flow is described in this paper. LES uses a fine grid resolution to provide the accurate subgrid-scale (SGS) modeling of turbulence and to capture the majority of the turbulent energy in the resolved regions (the grid scale). To this end, a parallel method is required, particularly for engineering solutions of 3D domains, and is described along with the linear algebraic processes. C1 [Waters, Jiajia; Carrington, David B.] Los Alamos Natl Lab, Fluid Dynam & Solid Mech, Los Alamos, NM 87545 USA. RP Waters, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jwaters@lanl.gov FU DOE's Office of Energy Efficiency and Renewable Energy (EERE) Advanced Combustion Program; National Nuclear Security Administration of the U.S. Department of Energy (DOE) [DE-AC52-06NA25396]; Los Alamos National Laboratory FX The DOE's Office of Energy Efficiency and Renewable Energy (EERE) Advanced Combustion Program (Gurpreet Singh and Leo Breton) supported this effort. Los Alamos National Laboratory, an affirmative action/equal opportunity employer, is operated by the Los Alamos National Security, LLC for the National Nuclear Security Administration of the U.S. Department of Energy (DOE) under contract DE-AC52-06NA25396. Los Alamos National Laboratory strongly supports academic freedom and a researcher's right to publish; as an institution, however, the Laboratory does not endorse the viewpoint of a publication or guarantee its technical correctness. "LA-UR-15-23085" NR 35 TC 0 Z9 0 U1 0 U2 0 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1040-7782 EI 1521-0634 J9 NUMER HEAT TR A-APPL JI Numer. Heat Tranf. A-Appl. PY 2016 VL 70 IS 2 BP 117 EP 131 DI 10.1080/10407782.2016.1173453 PG 15 WC Thermodynamics; Mechanics SC Thermodynamics; Mechanics GA DS4HE UT WOS:000380741200001 ER PT J AU Cao, GH Russell, AM Oertel, CG Skrotzki, W AF Cao, G. H. Russell, A. M. Oertel, C-G Skrotzki, W. TI Microstructure formation and mechanical behaviour of titanium aluminides during torsion SO PHILOSOPHICAL MAGAZINE LA English DT Article DE Ordered intermetallics; torsion; phase transformation; transmission electron microscopy ID TIAL-BASED ALLOYS; SEVERE PLASTIC-DEFORMATION; HIGH-STRAIN TORSION; PHASE-TRANSFORMATION; DYNAMIC RECRYSTALLIZATION; GAMMA; CREEP; INTERMETALLICS; STRENGTH; TEXTURE AB Two-phase Ti-47Al-4(Cr, Nb, Mn, Si and B) alloys (at.%) with fine-grained globular and coarse-grained lamellar structures were deformed in torsion at 1000 degrees C under 400MPa hydrostatic pressure at a maximum shear strain rate of 2x10(-4)s(-1) in a Paterson-type rock deformation machine. The evolution of microstructural characteristics during thermomechanical processing was investigated by transmission electron microscopy (TEM). It is observed that the -TiAl + (2)-Ti3Al lamellar structure breaks down, and a fine-grained duplex globular structure with a grain size on the order of 5 m develops. TEM observation indicates that the phase transformation of (2) to occurring during torsion shows diffusional character. Ordinary dislocations 1/2[110] and superdislocations 1/2[11] are observed. The microstructural and mechanical characteristics indicate that superplastic flow occurs during torsion of titanium aluminides. C1 [Cao, G. H.] Shanghai Univ, State Key Lab Adv Special Steel, Shanghai, Peoples R China. [Cao, G. H.] Shanghai Univ, Shanghai Key Lab Adv Ferromet, Shanghai, Peoples R China. [Cao, G. H.] Shanghai Univ, Sch Mat Sci & Engn, Shanghai, Peoples R China. [Russell, A. M.] Iowa State Univ, US DOE, Ames Lab, Div Mat Sci & Engn, Ames, IA USA. [Russell, A. M.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA USA. [Oertel, C-G; Skrotzki, W.] Tech Univ Dresden, Inst Strukturphys, Dresden, Germany. RP Cao, GH (reprint author), Shanghai Univ, State Key Lab Adv Special Steel, Shanghai, Peoples R China.; Cao, GH (reprint author), Shanghai Univ, Shanghai Key Lab Adv Ferromet, Shanghai, Peoples R China.; Cao, GH (reprint author), Shanghai Univ, Sch Mat Sci & Engn, Shanghai, Peoples R China. EM ghcao@shu.edu.cn OI Russell, Alan/0000-0001-5264-0104 FU National Natural Science Foundation of China (NSFC) [51271107] FX This work was supported by the National Natural Science Foundation of China (NSFC) [grant number 51271107]. NR 31 TC 0 Z9 0 U1 3 U2 4 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1478-6435 EI 1478-6443 J9 PHILOS MAG JI Philos. Mag. PY 2016 VL 96 IS 22 BP 2372 EP 2384 DI 10.1080/14786435.2016.1200757 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA DR8PS UT WOS:000380160400005 ER PT J AU Balabanski, DL Ibrahim, F Krasznahorkay, A Boztosun, I Choudhury, D Coban, S Constantin, P Csige, L Cuong, PV Dickel, T Djapo, H Dobrin, I Essabaa, S Filipescu, D Franchoo, S Georgiev, G Gheorghe, I Ghita, D Glodariu, T Gupta, M Jokinen, A Kaur, J Marginean, N Marginean, R Moore, I Pentilla, H Petcu, C Plass, W Sava, T Savard, G Scheidenberger, C Yordanov, D AF Balabanski, D. L. Ibrahim, F. Krasznahorkay, A. Boztosun, I. Choudhury, D. Coban, S. Constantin, P. Csige, L. Cuong, P. V. Dickel, T. Djapo, H. Dobrin, I. Essabaa, S. Filipescu, D. Franchoo, S. Georgiev, G. Gheorghe, I. Ghita, D. Glodariu, T. Gupta, M. Jokinen, A. Kaur, J. Marginean, N. Marginean, R. Moore, I. Pentilla, H. Petcu, C. Plass, W. Sava, T. Savard, G. Scheidenberger, C. Yordanov, D. TI PHOTOFISSION EXPERIMENTS AT ELI-NP SO Romanian Reports in Physics LA English DT Article DE ELI-NP gamma beams; photofission; transmission resonances; ternary fission; Bragg ionization chamber; GEM detectors; neutron-rich nuclei; IGISOL; gas stopping cell; nuclear magnetic moments; in-beam gamma spectroscopy ID CRYOGENIC STOPPING CELL; SUBTHRESHOLD PHOTOFISSION; IONIZATION-CHAMBER; ACTINIDE NUCLEI; FISSION; DEFORMATION; FACILITY; FRAGMENTS; ISOMERS; PB-208 AB Three photofission experimental programs are proposed to be carried out with the brilliant gamma beams that will be available at the ELI-NP facility. First, we will measure the absolute photofission cross-sections of actinide targets and will study the energy, mass and charge distributions of fission fragments, as well as of ternary fission. We further propose to measure the angular distribution of photofission fragments. One of the goals is to resolve the fine structure of the isomeric shelf and to observe the clusterisation phenomena in super- and hyper-deformed actinide states. For this, an array of Bragg ionization chambers and an array of thick gas electron multipliers will be constructed. Second, the structure of exotic nuclei produced in photofission will be studied, in particular, isotopes of refractory elements, by developing an ISOL-type facility with an ion-guide, a RFQ ion cooler and a mass separator to separate and transport the isotopes of interest to the measurement stations. Last, we aim at studies of g-factors of short-lived nanosecond isomers since they are difficult to be measured anywhere else. For measurements and studies of the 7 decay of excited states in exotic nuclei, we intent to use the detectors of the ELIADE array. C1 [Balabanski, D. L.; Choudhury, D.; Coban, S.; Constantin, P.; Filipescu, D.; Gheorghe, I.; Ghita, D.; Glodariu, T.; Kaur, J.; Petcu, C.] Horia Hulubei Natl Inst Phys & Nucl Engn, ELI NP, 30 Reactorului St, RO-077125 Bucharest, Romania. [Ibrahim, F.; Essabaa, S.; Franchoo, S.; Yordanov, D.] Inst Phys Nucl Orsay, F-91406 Orsay, France. [Krasznahorkay, A.; Csige, L.] Hungarian Acad Sci, Inst Nucl Res, H-4001 Debrecen, Hungary. [Boztosun, I.; Coban, S.; Djapo, H.] Akdeniz Univ, Thimlupinar Bulvari, TR-07058 Antalya, Turkey. [Cuong, P. V.] Vietnam Acad Sci & Technol, Inst Phys, Hanoi, Vietnam. [Dickel, T.; Plass, W.; Scheidenberger, C.] GSI Helmholtz Ctr Heavy Ion Res, Planckstr 1, D-64291 Darmstadt, Germany. [Dobrin, I.] Natl Inst R&D Elect Engn ICPECA, Bucharest 030138, Romania. [Georgiev, G.] Univ Paris 11, IN2P3 CNRS, CSNSM, F-91405 Orsay, France. [Gheorghe, I.] Univ Bucharest, Fac Phys, Bucharest 077125, Romania. [Ghita, D.; Glodariu, T.; Marginean, N.; Marginean, R.; Sava, T.] Horia Hulubei Natl Inst Phys & Nucl Engn, 30 Reactorului St, RO-077125 Bucharest, Romania. [Gupta, M.] Manipal Univ, Manipal Ctr Nat Sci, Manipal 576104, Karnataka, India. [Jokinen, A.; Moore, I.; Pentilla, H.] Univ Jyvaskyla, Dept Phys, FI-40351 Jyvaskyla, Finland. [Savard, G.] Argonne Natl Lab, Phys Div, Argonne, IL 60439 USA. RP Balabanski, DL (reprint author), Horia Hulubei Natl Inst Phys & Nucl Engn, ELI NP, 30 Reactorului St, RO-077125 Bucharest, Romania. EM dimiter.balabanski@eli-np.ro RI Filipescu, Dan Mihai/C-3789-2011; Gheorghe, Adriana - Ioana/K-3220-2012; Jokinen, Ari/C-2477-2017; Yordanov, Deyan/C-3187-2015 OI Filipescu, Dan Mihai/0000-0003-3282-1594; Jokinen, Ari/0000-0002-0451-125X; Yordanov, Deyan/0000-0002-1592-7779 FU Project Extreme Light Infrastructure - Nuclear Physics (ELI-NP) - Phase I; Romanian Government; European Union through the European Regional Development Fund; Hungarian OTKA foundation [K106035]; Vietnam National Foundation for Science and Technology Development (NAFOSTED) [103.04-2014.29] FX This work is supported by the Project Extreme Light Infrastructure - Nuclear Physics (ELI-NP) - Phase I, a project co-financed by the Romanian Government and European Union through the European Regional Development Fund. A. Krasznahorkay and L. Csige acknowledge support from the Hungarian OTKA foundation under grant no. K106035. P.V. Cuong acknowledges the support of the Vietnam National Foundation for Science and Technology Development (NAFOSTED) under grant no. 103.04-2014.29. NR 55 TC 2 Z9 2 U1 11 U2 14 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 2016 VL 68 SU 2 BP S621 EP S698 PG 78 WC Physics, Multidisciplinary SC Physics GA DS2LU UT WOS:000380601800004 ER PT J AU Dong, R Moore, L Aripova, N Williamson, C Schurz, R Liu, YZ Ocola, LE Kuljanishvili, I AF Dong, Rui Moore, Logan Aripova, Nozima Williamson, Christopher Schurz, Robert Liu, Yuzi Ocola, Leonidas E. Kuljanishvili, Irma TI Bottom-up direct writing approach for controlled fabrication of WS2/MoS2 heterostructure systems SO RSC ADVANCES LA English DT Article ID DIP-PEN NANOLITHOGRAPHY; 2-DIMENSIONAL MATERIALS; HYBRID SYSTEMS; LARGE-AREA; MOS2; GRAPHENE; WS2; TRANSISTORS; GROWTH; DECOMPOSITION AB The ability to construct heterostructures that consist of layered transition metal dichalcogenides materials (MX2) in a controlled fashion provides an attractive solution for materials design and device applications. For nanotechnology applications it is important to control the shape, geometry and precise position of the grown heterostructure assemblies on a variety of substrates. In this study, we developed a "direct writing" technique to fabricate arrays of WS2/MoS2 and MoS2/WS2/MoS2 heterostructures at predefined locations on a silicon substrate in a controlled fashion. Water based precursor inks were implemented to ensure the formation of quality heterostructure surfaces which are free of residual polymer contaminants. With this technique we demonstrate an attractive and scalable technology with unique capabilities for precise growth of dissimilar MX2 materials, layered either in a vertical or lateral arrangement. C1 [Dong, Rui; Moore, Logan; Williamson, Christopher; Schurz, Robert; Kuljanishvili, Irma] St Louis Univ, Dept Phys, St Louis, MO 63103 USA. [Aripova, Nozima] St Louis Univ, Dept Biol, St Louis, MO 63103 USA. [Liu, Yuzi; Ocola, Leonidas E.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Kuljanishvili, I (reprint author), St Louis Univ, Dept Phys, St Louis, MO 63103 USA. EM ikuljani@slu.edu OI Ocola, Leonidas/0000-0003-4990-1064 FU U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02 06CH11357]; NSF MRI program [1338021]; Saint Louis University seed funds FX Use of the Center for Nanoscale Materials was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02 06CH11357. I. K. acknowledges support of NSF MRI program (Award No. 1338021), and the Saint Louis University seed funds. NR 27 TC 0 Z9 0 U1 8 U2 14 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 2016 VL 6 IS 71 BP 66589 EP 66594 DI 10.1039/c6ra12576j PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA DS1KD UT WOS:000380353600026 ER PT S AU Jordan, TS AF Jordan, Tyler S. BE Carapezza, EM TI Using Convolutional Neural Networks for Human Activity Classification on Micro-Doppler Radar Spectrograms SO SENSORS, AND COMMAND, CONTROL, COMMUNICATIONS, AND INTELLIGENCE (C3I) TECHNOLOGIES FOR HOMELAND SECURITY, DEFENSE, AND LAW ENFORCEMENT APPLICATIONS XV SE Proceedings of SPIE LA English DT Proceedings Paper CT Sensors, and Command, Control, Communications, and Intelligence (C3I) Technologies for Homeland Security, Defense, and Law Enforcement Applications XV CY APR 18-19, 2016 CL Baltimore, MA SP SPIE DE single-chip radar; human activity; machine learning; automotive; micro-Doppler; convolutional neural network; law enforcement; surveillance AB This paper presents the findings of using convolutional neural networks (CNNs) to classify human activity from micro-Doppler features. An emphasis on activities involving potential security threats such as holding a gun are explored. An automotive 24 GHz radar on chip was used to collect the data and a CNN (normally applied to image classification) was trained on the resulting spectrograms. The CNN achieves an error rate of 1.65 % on classifying running vs. walking, 17.3 % error on armed walking vs. unarmed walking, and 22 % on classifying six different actions. C1 [Jordan, Tyler S.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Jordan, TS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tylerscottjordan@gmail.com NR 17 TC 1 Z9 1 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 978-1-5106-0066-9 J9 PROC SPIE PY 2016 VL 9825 AR 982509 DI 10.1117/12.2227947 PG 9 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA BF3XD UT WOS:000380590000004 ER PT J AU Kim, D Powell, L Delmau, LH Peterson, ES Herchenroeder, J Bhave, RR AF Kim, Daejin Powell, Lawrence Delmau, Laetitia H. Peterson, Eric S. Herchenroeder, Jim Bhave, Ramesh R. TI A supported liquid membrane system for the selective recovery of rare earth elements from neodymium-based permanent magnets SO SEPARATION SCIENCE AND TECHNOLOGY LA English DT Article DE Extractant; hollow fiber membrane; rare earth elements; supported liquid membrane ID MICROPOROUS HYDROPHOBIC MEMBRANE; SOLVENT-EXTRACTION; IMMOBILIZED INTERFACES; CHLORIDE MEDIA; CYANEX 923; SEPARATION; ND; LANTHANIDES; ACTINIDES; MODULES AB The rare earth elements (REEs) play a vital role in the development of green energy and high-tech industries. In order to meet the fast-growing demand and to ensure sufficient supply of the REEs, it is essential to develop an efficient REE recovery process from post-consumer REE-containing products. In this research effort, we have developed a supported liquid membrane system utilizing polymeric hollow fiber modules to extract REEs from neodymium-based magnets with neutral extractants such as tetraoctyl digylcol amide (TODGA). The effect of process variables such as REE concentration, molar concentration of acid, and membrane area on REE recovery was investigated. We have demonstrated the selective extraction and recovery of REEs such as Nd, Pr, and Dy without co-extraction of non-REEs from permanent NdFeB magnets through the supported liquid membrane system. The extracted REEs were then recovered by precipitation followed by the annealing step to obtain crystalline REE powders in nearly pure form. The recovered REE oxides were characterized by X-ray diffraction, scanning electron microscope coupled with energy-dispersive X-ray spectroscopy, and inductively coupled plasma-optical emission spectroscopy. C1 [Kim, Daejin; Powell, Lawrence; Bhave, Ramesh R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN USA. [Delmau, Laetitia H.] Oak Ridge Natl Lab, Nucl Mat Proc Grp, Oak Ridge, TN USA. [Peterson, Eric S.] Idaho Natl Lab, Ctr Adv Energy Studies, Idaho Falls, ID USA. [Herchenroeder, Jim] Molycorp Magnequench, Greenwood Village, CO USA. RP Bhave, RR (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN USA. EM bhaverr@ornl.gov RI Peterson, Eric/B-9127-2017 OI Peterson, Eric/0000-0002-2292-4939 FU Critical Materials Institute, an Energy Innovation Hub - US Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office FX This research/work was supported by the Critical Materials Institute, an Energy Innovation Hub funded by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office. The authors would like to thank Dr. Huseyin Ucar at ORNL for assistance with XRD analysis. NR 27 TC 0 Z9 0 U1 8 U2 10 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0149-6395 EI 1520-5754 J9 SEP SCI TECHNOL JI Sep. Sci. Technol. PY 2016 VL 51 IS 10 BP 1716 EP 1726 DI 10.1080/01496395.2016.1171782 PG 11 WC Chemistry, Multidisciplinary; Engineering, Chemical SC Chemistry; Engineering GA DR8KU UT WOS:000380147600013 ER PT S AU Ingargiola, A Laurence, T Boutelle, R Weiss, S Michalet, X AF Ingargiola, Antonino Laurence, Ted Boutelle, Robert Weiss, Shimon Michalet, Xavier BE Enderlein, J Gregor, I Gryczynski, ZK Erdmann, R Koberling, F TI Photon-HDF5: Open Data Format and Computational Tools for Timestamp-based Single-Molecule Experiments SO SINGLE MOLECULE SPECTROSCOPY AND SUPERRESOLUTION IMAGING IX SE Proceedings of SPIE LA English DT Proceedings Paper CT Single Molecule Spectroscopy and Superresolution Imaging IX CY FEB 13-14, 2016 CL San Francisco, CA SP SPIE, PicoQuant GmbH DE single-molecule; fluorescence; file format; FRET; FCS; HDF5; SPAD; open data AB Archival of experimental data in public databases has increasingly become a requirement for most funding agencies and journals. These data-sharing policies have the potential to maximize data reuse, and to enable con firmatory as well as novel studies. However, the lack of standard data formats can severely hinder data reuse. In photon-counting-based single-molecule fluorescence experiments, data is stored in a variety of vendor specific or even setup-specific (custom) file formats, making data interchange prohibitively laborious, unless the same hardware-software combination is used. Moreover, the number of available techniques and setup con figurations make it difficult to find a common standard. To address this problem, we developed Photon-HDF5 (www.photon-hdf5.org), an open data format for timestamp-based single-molecule fluorescence experiments. Building on the solid foundation of HDF5, Photon-HDF5 provides a platform-and language-independent, easy-to-use file format that is self-describing and supports rich metadata. Photon-HDF5 supports different types of measurements by separating raw data (e.g. photon-time-stamps, detectors, etc) from measurement metadata. This approach allows representing several measurement types and setup con figurations within the same core structure and makes possible extending the format in backward-compatible way. Complementing the format specifications, we provide open source software to create and convert Photon-HDF5 files, together with code examples in multiple languages showing how to read Photon-HDF5 files. Photon-HDF5 allows sharing data in a format suitable for long term archival, avoiding the effort to document custom binary formats and increasing interoperability with different analysis software. We encourage participation of the single-molecule community to extend interoperability and to help de fi ning future versions of Photon-HDF5. C1 [Ingargiola, Antonino; Boutelle, Robert; Weiss, Shimon; Michalet, Xavier] Univ Calif Los Angeles, Dept Chem & Biochem, 405 Hilgard Ave, Los Angeles, CA 90024 USA. [Laurence, Ted] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. RP Ingargiola, A (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 405 Hilgard Ave, Los Angeles, CA 90024 USA. EM ingargiola.antonino@gmail.com RI Michalet, Xavier/A-9704-2009; OI Michalet, Xavier/0000-0001-6602-7693; weiss, shimon/0000-0002-0720-5426; Ingargiola, Antonino/0000-0002-9348-1397 NR 15 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 978-1-62841-948-1 J9 PROC SPIE PY 2016 VL 9714 AR 971405 DI 10.1117/12.2212085 PG 7 WC Optics; Physics, Applied; Spectroscopy SC Optics; Physics; Spectroscopy GA BF3XR UT WOS:000380592900003 ER PT S AU Ryan, DP Goodwin, PM Sheehan, CJ Whitcomb, KJ Gelfand, MP Van Orden, A AF Ryan, Duncan P. Goodwin, Peter M. Sheehan, Chris J. Whitcomb, Kevin J. Gelfand, Martin P. Van Orden, Alan BE Enderlein, J Gregor, I Gryczynski, ZK Erdmann, R Koberling, F TI Correlating structure and fluorescence dynamics of quantum dot clusters using super-resolution imaging SO SINGLE MOLECULE SPECTROSCOPY AND SUPERRESOLUTION IMAGING IX SE Proceedings of SPIE LA English DT Proceedings Paper CT Single Molecule Spectroscopy and Superresolution Imaging IX CY FEB 13-14, 2016 CL San Francisco, CA SP SPIE, PicoQuant GmbH DE super-resolution; clusters; quantum dots; CdSe; fluorescence microscopy; energy transfer; SEM correlation; blinking ID LOCALIZATION; MICROSCOPY AB Clusters of quantum dots exhibit fluorescent behavior that differs from that of individual particles. Bulk measurements involving a large number of particles obscure these dynamics. Synthesizing clusters with 5-10 particles enables the study of collective behavior where single-molecule fluorescence techniques can be applied. Super resolution microscopy of these clusters correlated with SEM imaging reveals the influence of geometry and structure on emission dynamics. Signatures of energy transfer can be seen in the form of enhanced blinking. Motion of the emission center of the cluster is tracked, made possible by the independent blinking events of the individual particles. Discrete steps in the localization are observed as random switching between various on/off configurations moves the location of the emission center. C1 [Ryan, Duncan P.; Gelfand, Martin P.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. [Goodwin, Peter M.; Sheehan, Chris J.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Whitcomb, Kevin J.; Van Orden, Alan] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. RP Van Orden, A (reprint author), Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. EM Alan.Van_Orden@colostate.edu OI Ryan, Duncan/0000-0001-7702-8499; Gelfand, Martin/0000-0002-1867-6231 NR 18 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 978-1-62841-948-1 J9 PROC SPIE PY 2016 VL 9714 AR 97140T DI 10.1117/12.2211150 PG 8 WC Optics; Physics, Applied; Spectroscopy SC Optics; Physics; Spectroscopy GA BF3XR UT WOS:000380592900013 ER PT J AU Wang, LC Friend, CM Fushimi, R Madix, RJ AF Wang, Lu-Cun Friend, C. M. Fushimi, Rebecca Madix, Robert J. TI Active site densities, oxygen activation and adsorbed reactive oxygen in alcohol activation on npAu catalysts SO FARADAY DISCUSSIONS LA English DT Article ID NANOPOROUS GOLD CATALYSTS; TEMPERATURE CO OXIDATION; BASIC PRINCIPLES; SINGLE-CRYSTAL; ADSORPTION; AU; AU(110)-(1X2); POWDER; AG AB The activation of molecular O-2 as well as the reactivity of adsorbed oxygen species is of central importance in aerobic selective oxidation chemistry on Au-based catalysts. Herein, we address the issue of O-2 activation on unsupported nanoporous gold (npAu) catalysts by applying a transient pressure technique, a temporal analysis of products (TAP) reactor, to measure the saturation coverage of atomic oxygen, its collisional dissociation probability, the activation barrier for O-2 dissociation, and the facility with which adsorbed O species activate methanol, the initial step in the catalytic cycle of esterification. The results from these experiments indicate that molecular O-2 dissociation is associated with surface silver, that the density of reactive sites is quite low, that adsorbed oxygen atoms do not spill over from the sites of activation onto the surrounding surface, and that methanol reacts quite facilely with the adsorbed oxygen atoms. In addition, the O species from O-2 dissociation exhibits reactivity for the selective oxidation of methanol but not for CO. The TAP experiments also revealed that the surface of the npAu catalyst is saturated with adsorbed O under steady state reaction conditions, at least for the pulse reaction. C1 [Wang, Lu-Cun; Friend, C. M.] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA. [Friend, C. M.; Madix, Robert J.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Fushimi, Rebecca] St Louis Univ, Pk Coll Engn Aviat & Technol, St Louis, MO 63103 USA. [Fushimi, Rebecca] Langmuir Res Inst, St Louis, MO 63108 USA. [Fushimi, Rebecca] Idaho Natl Lab, Biol & Chem Proc Dept, Idaho Falls, ID 83415 USA. RP Madix, RJ (reprint author), Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. EM rmadix@seas.harvard.edu RI Wang, Lu-Cun/K-2632-2014 OI Wang, Lu-Cun/0000-0002-4930-8618 FU Integrated Mesoscale Architectures for Sustainable Catalysis, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0012573] FX This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573. NR 33 TC 2 Z9 2 U1 9 U2 13 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 2016 VL 188 BP 57 EP 67 DI 10.1039/c5fd00161g PG 11 WC Chemistry, Physical SC Chemistry GA DR7SE UT WOS:000380099200004 PM 27376884 ER PT J AU Motokawa, R Kobayashi, T Endo, H Ikeda, T Yaita, T Suzuki, S Narita, H Akutsu, K Heller, WT AF Motokawa, Ryuhei Kobayashi, Tohru Endo, Hitoshi Ikeda, Takashi Yaita, Tsuyoshi Suzuki, Shinichi Narita, Hirokazu Akutsu, Kazuhiro Heller, William T. TI Small-angle neutron scattering study of specific interaction and coordination structure formed by mono-acetyl-substituted dibenzo-20-crown-6-ether and cesium ions SO JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY LA English DT Article DE analysis; cesium; neutron ID POWER-PLANT ACCIDENT; MACROCYCLE INTERACTION; CYCLIC POLYETHERS; KINETIC DATA; METAL-SALTS; COMPLEXES; EQUILIBRIA; SEPARATION; PROGRAM; ALKALI AB This study uses small-angle neutron scattering (SANS) to elucidate the coordination structure of the complex of mono-acetyl-substituted dibenzo-20-crown-6-ether (ace-DB20C6) with cesium ions (Cs+). SANS profiles obtained for the complex of ace-DB20C6 and Cs+ (ace-DB20C6/Cs) in deuterated dimethyl sulfoxide indicated that Cs+ coordination resulted in a more compact structure than the free ace-DB20C6. The data were fitted well with SANS profiles calculated using Debye function for scattering on an absolute scattering intensity scale. For this theoretical calculation of the scattering profiles, the coordination structure proposed based on density functional theory calculation was used. Consequently, we conclude that the SANS analysis experimentally supports the proposed coordination structure of ace-DB20C6/Cs and suggests the following: (1) the complex of ace-DB20C6 and Cs+ is formed with an ace-DB20C6/Cs molar ratio of 1/1 and (2) the two benzene rings of ace-DB20C6 fold around Cs+ above the center of the crown ether ring of ace-DB20C6. C1 [Motokawa, Ryuhei; Kobayashi, Tohru; Ikeda, Takashi; Yaita, Tsuyoshi; Suzuki, Shinichi; Akutsu, Kazuhiro] Japan Atom Energy Agcy, Quantum Beam Sci Ctr QuBS, Tokai, Ibaraki 3191195, Japan. [Endo, Hitoshi] High Energy Accelerator Res Org, Inst Mat Sci, Div Neutron Sci, 203-1 Shirakata, Tokai, Ibaraki 3191106, Japan. [Endo, Hitoshi] Grad Univ Adv Studies SOKENDAI, Dept Mat Struct Sci, 203-1 Shirakata, Tokai, Ibaraki 3191106, Japan. [Narita, Hirokazu] Natl Inst Adv Ind Sci & Technol, Environm Management Res Inst, 16-1 Onogawa, Tsukuba, Ibaraki 3058569, Japan. [Heller, William T.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. RP Motokawa, R (reprint author), Japan Atom Energy Agcy, Quantum Beam Sci Ctr QuBS, Tokai, Ibaraki 3191195, Japan. EM motokawa.ryuhei@jaea.go.jp RI Motokawa, Ryuhei/J-5674-2016; OI Motokawa, Ryuhei/0000-0001-5010-0112; Heller, William/0000-0001-6456-2975 NR 31 TC 0 Z9 0 U1 4 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0022-3131 EI 1881-1248 J9 J NUCL SCI TECHNOL JI J. Nucl. Sci. Technol. PY 2016 VL 53 IS 8 BP 1205 EP 1211 DI 10.1080/00223131.2015.1102100 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DR8NT UT WOS:000380155300013 ER PT J AU Sun, JC Yuan, ZN Georgescu, R Li, HL O'Donnell, M AF Sun, Jingchuan Yuan, Zuanning Georgescu, Roxanna Li, Huilin O'Donnell, Mike TI The eukaryotic CMG helicase pumpjack and integration into the replisome SO NUCLEUS LA English DT Article DE 3D reconstruction; CMG; cryoelectron microscopy; DNA helicase; DNA polymerase; replisome; primase; replication fork ID DNA-POLYMERASE-EPSILON; SACCHAROMYCES-CEREVISIAE; REPLICATIVE HELICASE; MCM2-7 HELICASE; POL EPSILON; HEXAMERIC HELICASE; ACTIVE-SITES; COMPLEX; MECHANISM; TRANSLOCATION AB The eukaryotic replisome is a multiprotein machine that contains DNA polymerases, sliding clamps, helicase, and primase along with several factors that participate in cell cycle and checkpoint control. The detailed structure of the 11-subunit CMG helicase (Cdc45/Mcm2-7/GINS) has been solved recently by cryoEM single-particle 3D reconstruction and reveals pumpjack motions that imply an unexpected mechanism of DNA translocation. CMG is also the organizing center of the replisome. Recent in vitro reconstitution of leading and lagging strand DNA synthesis has enabled structural analysis of the replisome. By building the replisome in stages from pure proteins, single-particle EM studies have identified the overall architecture of the eukaryotic replisome. Suprisingly leading and lagging strand polymerases bind to opposite faces of the CMG helicase, unlike the long-held view that DNA polymerases are located in back of the helicase to act on the unwound strands. C1 [Sun, Jingchuan; Li, Huilin] Brookhaven Natl Lab, Dept Biol, 2 Ctr St, Upton, NY 11973 USA. [Yuan, Zuanning; Li, Huilin] SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. [Georgescu, Roxanna; O'Donnell, Mike] Rockefeller Univ, Howard Hughes Med Inst, New York, NY 10021 USA. [Georgescu, Roxanna; O'Donnell, Mike] Rockefeller Univ, DNA Replicat Lab, 1230 York Ave, New York, NY 10021 USA. RP Li, HL (reprint author), Brookhaven Natl Lab, Dept Biol, 2 Ctr St, Upton, NY 11973 USA.; O'Donnell, M (reprint author), Rockefeller Univ, 1230 York Ave, New York, NY 11758 USA. EM hli@bnl.gov; odonnel@rockefeller.edu OI O'Donnell, Michael/0000-0001-9002-4214 FU US National Institutes of Health [GM111472, OD12272, GM115809]; Howard Hughes Medical Institute FX The authors are grateful for funding from the US National Institutes of Health (GM111472 and OD12272 to H.L. and GM115809 to M.O.D.) and Howard Hughes Medical Institute (M.O.D.). NR 57 TC 1 Z9 1 U1 0 U2 3 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1949-1034 EI 1949-1042 J9 NUCLEUS-PHILA JI Nucleus PY 2016 VL 7 IS 2 BP 146 EP 154 DI 10.1080/19491034.2016.1174800 PG 9 WC Cell Biology SC Cell Biology GA DR9TI UT WOS:000380238600007 PM 27310307 ER PT J AU Xu, XF Yuan, FM Hanson, PJ Wullschleger, SD Thornton, PE Riley, WJ Song, X Graham, DE Song, CC Tian, HQ AF Xu, Xiaofeng Yuan, Fengming Hanson, Paul J. Wullschleger, Stan D. Thornton, Peter E. Riley, William J. Song, Xia Graham, David E. Song, Changchun Tian, Hanqin TI Reviews and syntheses: Four decades of modeling methane cycling in terrestrial ecosystems SO BIOGEOSCIENCES LA English DT Review ID MICROBIAL COMMUNITY STRUCTURE; EMERGENT AQUATIC MACROPHYTES; COMPARISON PROJECT WETCHIMP; GLOBAL WETLAND EXTENT; SOIL ORGANIC-CARBON; RICE FIELD SOIL; ART. NO. GB3010; GAS-TRANSPORT; BIOGEOCHEMISTRY MODEL; ATMOSPHERIC METHANE AB Over the past 4 decades, a number of numerical models have been developed to quantify the magnitude, investigate the spatial and temporal variations, and understand the underlying mechanisms and environmental controls of methane (CH4) fluxes within terrestrial ecosystems. These CH4 models are also used for integrating multi-scale CH4 data, such as laboratory-based incubation and molecular analysis, field observational experiments, remote sensing, and aircraft-based measurements across a variety of terrestrial ecosystems. Here we summarize 40 terrestrial CH4 models to characterize their strengths and weaknesses and to suggest a roadmap for future model improvement and application. Our key findings are that (1) the focus of CH4 models has shifted from theoretical to site- and regional-level applications over the past 4 decades, (2) large discrepancies exist among models in terms of representing CH4 processes and their environmental controls, and (3) significant data-model and model-model mismatches are partially attributed to different representations of landscape characterization and inundation dynamics. Three areas for future improvements and applications of terrestrial CH4 models are that (1) CH4 models should more explicitly represent the mechanisms underlying land-atmosphere CH4 exchange, with an emphasis on improving and validating individual CH4 processes over depth and horizontal space, (2) models should be developed that are capable of simulating CH4 emissions across highly heterogeneous spatial and temporal scales, particularly hot moments and hotspots, and (3) efforts should be invested to develop model benchmarking frameworks that can easily be used for model improvement, evaluation, and integration with data from molecular to global scales. These improvements in CH4 models would be beneficial for the Earth system models and further simulation of climate-carbon cycle feedbacks. C1 [Xu, Xiaofeng; Song, Xia] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. [Xu, Xiaofeng; Song, Changchun] Chinese Acad Sci, Northeast Inst Geog & Agroecol, Changchun, Jilin, Peoples R China. [Xu, Xiaofeng; Song, Xia] Univ Texas El Paso, Dept Biol Sci, El Paso, TX 79968 USA. [Yuan, Fengming; Hanson, Paul J.; Wullschleger, Stan D.; Thornton, Peter E.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA. [Yuan, Fengming; Hanson, Paul J.; Wullschleger, Stan D.; Thornton, Peter E.] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. [Riley, William J.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA USA. [Graham, David E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Tian, Hanqin] Auburn Univ, Int Ctr Climate & Global Change Res, Sch Forestry & Wildlife Sci, Auburn, AL 36849 USA. RP Xu, XF (reprint author), San Diego State Univ, Dept Biol, San Diego, CA 92182 USA.; Xu, XF (reprint author), Chinese Acad Sci, Northeast Inst Geog & Agroecol, Changchun, Jilin, Peoples R China.; Xu, XF (reprint author), Univ Texas El Paso, Dept Biol Sci, El Paso, TX 79968 USA. EM xxu@mail.sdsu.edu RI Hanson, Paul J./D-8069-2011; Graham, David/F-8578-2010; Xu, Xiaofeng/B-2391-2008; Riley, William/D-3345-2015; Thornton, Peter/B-9145-2012; OI Hanson, Paul J./0000-0001-7293-3561; Graham, David/0000-0001-8968-7344; Xu, Xiaofeng/0000-0002-6553-6514; Riley, William/0000-0002-4615-2304; Thornton, Peter/0000-0002-4759-5158; Yuan, Fengming/0000-0003-0910-5231 FU San Diego State University; University of Texas at El Paso; US Department of Energy Office of Science; US Department of Energy, Office of Science, Office of Biological and Environmental Research; US Department of Energy [DE-AC05-00OR22725, DE-AC02-05CH11231]; National Natural Science Foundation of China [41125001]; NASA Carbon Monitoring System Program [NNX14AO73G]; NASA Interdisciplinary Science Program [NNX14AF93G] FX The authors are grateful for financial and facility support from San Diego State University and the University of Texas at El Paso. The authors are grateful to Yiqi Luo at the University of Oklahoma for his comments on early versions of the manuscript. We are grateful to Jens-Arne Subke and five anonymous reviewers for their constructive comments that significantly improved this paper. This review is part of the CH4 modeling tasks within the NGEE-Arctic and SPRUCE projects sponsored by the US Department of Energy Office of Science. Contributions by Fengming Yuan, Paul J. Hanson, Peter E. Thornton, Stan D. Wullschleger, and David E. Graham are supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. Contributions by William J. Riley are supported by the US Department of Energy under contract no. DE-AC02-05CH11231. Changchun Song is supported by the National Natural Science Foundation of China (41125001), and Hanqin Tian is supported by the NASA Carbon Monitoring System Program (NNX14AO73G) and the NASA Interdisciplinary Science Program (NNX14AF93G). NR 199 TC 2 Z9 2 U1 26 U2 33 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 EI 1726-4189 J9 BIOGEOSCIENCES JI Biogeosciences PY 2016 VL 13 IS 12 BP 3735 EP 3755 DI 10.5194/bg-13-3735-2016 PG 21 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA DQ7ZG UT WOS:000379427700015 ER PT B AU Backlund, PB Eddy, JR AF Backlund, Peter B. Eddy, John R. GP ASME TI AUTONOMOUS MICROGRID DESIGN USING CLASSIFIER-GUIDED SAMPLING SO INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE, 2015, VOL 2A LA English DT Proceedings Paper CT ASME International Design Engineering Technical Conferences and Computers and Information in Engineering Conference CY AUG 02-05, 2015 CL Boston, MA SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div AB Identifying high-performance, system-level microgrid designs is a significant challenge due to the overwhelming array of possible configurations. Uncertainty relating to loads, utility outages, renewable generation, and fossil generator reliability further complicates this design problem. In this paper, the performance of a candidate microgrid design is assessed by running a discrete event simulation that includes extended, unplanned utility outages during which microgrid performance statistics are computed. Uncertainty is addressed by simulating long operating times and computing average performance over many stochastic outage scenarios. Classifier-guided sampling, a Bayesian classifier-based optimization algorithm for computationally expensive design problems, is used to search and identify configurations, that result in reduced average load not served while not exceeding a predetermined microgrid construction cost. The city of Hoboken, NJ, which sustained a severe outage following Hurricane Sandy in October, 2012, is used as an example of a location in which a well-designed microgrid could be of great benefit during an extended, unplanned utility outage. The optimization results illuminate design trends and provide insights into the traits of high-performance configurations. C1 [Backlund, Peter B.; Eddy, John R.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Backlund, PB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 14 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-5707-6 PY 2016 AR V02AT03A049 PG 11 WC Engineering, Industrial; Engineering, Mechanical; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA BF0YA UT WOS:000379883700049 ER PT B AU Cui, MJ Zhang, J Florita, A Hodge, BM Ke, DP Sun, YZ AF Cui, Mingjian Zhang, Jie Florita, Anthony Hodge, Bri-Mathias Ke, Deping Sun, Yuanzhang GP ASME TI SOLAR POWER RAMP EVENTS DETECTION USING AN OPTIMIZED SWINGING DOOR ALGORITHM SO INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE, 2015, VOL 2A LA English DT Proceedings Paper CT ASME International Design Engineering Technical Conferences and Computers and Information in Engineering Conference CY AUG 02-05, 2015 CL Boston, MA SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div DE Dynamic programming; ramp forecasting; solar power ramp events; swinging door algorithm; Tucson Electric Power ID FORECAST AB Solar power ramp events (SPREs) significantly influence the integration of solar power on non-clear days and threaten the reliable and economic operation of power systems. Accurately extracting solar power ramps becomes more important with increasing levels of solar power penetrations in power systems. In this paper, we develop. an optimized swinging door algorithm (OpSDA) to enhance the state of the art in SPRE detection. First, the swinging door algorithm (SDA) is utilized to segregate measured solar power generation into consecutive segments in a piecewise linear fashion. Then we use a dynamic programming approach to combine adjacent segments into significant ramps when the decision thresholds are met. In addition, the expected SPREs occurring in clear-sky solar power conditions are removed. Measured solar power data from Tucson Electric Power is used to assess the performance of the proposed methodology. OpSDA is compared to two other ramp detection methods: the SDA and the L1-Ramp Detect with Sliding Window (L1-SW) method. The statistical results show the validity and effectiveness of the proposed method. OpSDA can significantly improve the performance of the SDA, and it can perform as well as or better than L1-SW with substantially less computation time. C1 [Cui, Mingjian; Ke, Deping; Sun, Yuanzhang] Wuhan Univ, Sch Elect Engn, Wuhan 430072, Hubei, Peoples R China. [Cui, Mingjian; Zhang, Jie; Florita, Anthony; Hodge, Bri-Mathias] Natl Renewable Energy Lab, Transmiss & Grid Integrat Grp, Golden, CO 80401 USA. RP Zhang, J (reprint author), Natl Renewable Energy Lab, Transmiss & Grid Integrat Grp, Golden, CO 80401 USA. EM mj_cui@whu.edu.cn; jie.zhang@nrel.gov; anthony.florita@nrel.gov; bri.mathias.hodge@nrel.gov; kedeping@whu.edu.cn; yzsun@mail.tsinghua.edu.cn NR 29 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-5707-6 PY 2016 PG 10 WC Engineering, Industrial; Engineering, Mechanical; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA BF0YA UT WOS:000379883700027 ER PT B AU Boardman, B Martinez, S Harden, T AF Boardman, Beth Martinez, Sonia Harden, Troy GP ASME TI FOCUSED REFINEMENT IN THE RRT*: TRADING OPTIMALITY FOR IMPROVED PERFORMANCE SO INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE, 2015, VOL 5C LA English DT Proceedings Paper CT ASME International Design Engineering Technical Conferences and Computers and Information in Engineering Conference CY AUG 02-05, 2015 CL Boston, MA SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div ID DYNAMIC ENVIRONMENTS; MOTION AB This paper investigates how to limit the exploration property of the RRT* algorithm in order to decrease the computation time needed to produce a low-cost, but good enough, path. We aim to do this by (i) focusing the attention of the RRT* algorithm on paths that are found quickly by RRT*, and by (ii) reducing the number of nodes in the obtained paths. The latter is achieved by an online smoothing process that aims to connect added nodes directly to their grandparents. Extensive two-dimensional simulation results are provided to examine how the number of obstacles in an environment affects the proposed extensions. Simulations for a Dubins' vehicle are presented to show how the modifications perform for vehicles with differential constraints. C1 [Boardman, Beth; Martinez, Sonia] Univ Calif San Diego, Mech & Aerosp Engn, 9500 Gilman Dr, La Jolla, CA 92093 USA. [Harden, Troy] Los Alamos Natl Lab, POB 1663,MS J580, Los Alamos, NM 87545 USA. RP Boardman, B (reprint author), Univ Calif San Diego, Mech & Aerosp Engn, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM bboardman@ucsd.edu; soniamd@ucsd.edu; harden@lanl.gov NR 19 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-5714-4 PY 2016 AR V05CT08A006 PG 10 WC Engineering, Mechanical; Robotics SC Engineering; Robotics GA BF1NT UT WOS:000380413600006 ER PT S AU Andraka, CE Moss, TA Baturkin, V Zaripov, V Nishchyk, O AF Andraka, Charles E. Moss, Timothy A. Baturkin, Volodymyr Zaripov, Vladlen Nishchyk, Oleksandr BE Rajpaul, V Richter, C TI High Performance Felt-Metal-Wick Heat Pipe for Solar Receivers SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA AB Sodium heat pipes have been identified as a potentially effective heat transport approach for CSP systems that require near-isothermal input to power cycles or storage, such as dish Stirling and highly recuperated reheat-cycle supercritical CO2 turbines. Heat pipes offer high heat flux capabilities, leading to small receivers, as well as low exergetic losses through isothermal coupling with the engine. Sandia developed a felt metal wick approach in the 1990's, and demonstrated very high performance (1). However, multiple durability issues arose, primarily the structural collapse of the wick at temperature over short time periods. NTUU developed several methods of improving robustness of the wick (2), but the resulting wick had limited performance capabilities. For application to CSP systems, the wick structures must retain high heat pipe performance with robustness for long term operation. In this paper we present our findings in developing an optimal balance between performance and ruggedness, including operation of a laboratory-scale heat pipe for over 5500 hours so far. Application of heat pipes to dish-Stirling systems has been shown to increase performance as much as 20%(3), and application to supercritical CO2 systems has been proposed. C1 [Andraka, Charles E.; Moss, Timothy A.] Sandia Natl Labs, Concentrating Solar Power Dept 06123, PO 5800 MS 1127, Albuquerque, NM 87185 USA. [Baturkin, Volodymyr; Zaripov, Vladlen; Nishchyk, Oleksandr] Natl Tech Univ Ukraine Kyiv Polytech Inst NTUU, Peremogy Pr 37, UA-03056 Kiev 56, Ukraine. [Baturkin, Volodymyr] Inst Space Syst, R Hooke Str 7, D-28359 Bremen, Germany. RP Andraka, CE (reprint author), Sandia Natl Labs, Concentrating Solar Power Dept 06123, PO 5800 MS 1127, Albuquerque, NM 87185 USA. EM ceandra@sandia.gov NR 19 TC 0 Z9 0 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 030002 DI 10.1063/1.4949054 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600030 ER PT S AU Armijo, KM Ho, C Anderson, R Christian, J Babiniec, S Ortega, J AF Armijo, Kenneth M. Ho, Clifford Anderson, Ryan Christian, Joshua Babiniec, Sean Ortega, Jesus BE Rajpaul, V Richter, C TI Magnetic Field Flow Phenomena in a Falling Particle Receiver SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA AB Concentrating solar power (CSP) falling particle receivers are being pursued as a desired means for utilizing low-cost, high-absorptance particulate materials that can withstand high concentration ratios (similar to 1000 suns), operating temperatures above 700 degrees C, and inherent storage capabilities which can be used to reduce to levelized cost of electricity (LCOE)(1). Although previous falling particle receiver designs have proven outlet temperatures above 800 degrees C, and thermal efficiencies between 80-90%, performance challenges still exist to operate at higher concentration ratios above 1000 suns and greater solar absorptance levels. To increase absorptance, these receivers will require enhanced particle residence time within a concentrated beam of sunlight. Direct absorption solid particle receivers that can enhance this residence time will have the potential to achieve heat-transfer media temperatures(2) over 1000 degrees C. However, depending on particle size and external forces (e.g., external wind and flow due to convective heat losses), optimized particle flow can be severely affected, which can reduce receiver efficiency. To reduce particle flow destabilization and increase particle residence time on the receiver an imposed magnetic field is proposed based on a collimated design for two different methodologies. These include systems with ferromagnetic and charged particle materials. The approaches will be analytically evaluated based on magnetic field strength, geometry, and particle parameters, such as magnetic moment. A model is developed using the computational fluid dynamics (CFD) code ANSYS FLUENT to analyze these approaches for a similar to 2 MWth falling particle receiver at Sandia National Laboratories(5,6). Here, assessment will be made with respect to ferromagnetic particles such as iron-oxides, as well as charged particles. These materials will be parametrically assessed (e.g., type, size, dipole moment and geometry) over a range of magnetic permeability, mu values. Modeling results indicate average particle temperature at the outlet of the receiver is increased from 449 K to 520 K (similar to 16%) and particle acceleration is reduced from 9.81 m/s(2) to 2m/s(2) due to assumed magnetic forces that offset the gravitational force. C1 [Armijo, Kenneth M.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Ho, Clifford; Anderson, Ryan; Christian, Joshua; Babiniec, Sean; Ortega, Jesus] Sandia Natl Labs, POB 5800,MS 1127, Albuquerque, NM USA. RP Armijo, KM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM kmarmij@sandia.gov NR 22 TC 0 Z9 0 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 030004 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600032 ER PT S AU Armijo, KM Andraka, CE AF Armijo, Kenneth M. Andraka, Charles E. BE Rajpaul, V Richter, C TI Phenomenological Studies on Sodium for CSP Applications: A Safety Review SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA AB Sodium Heat transfer fluids (HTF) such as sodium, can achieve temperatures above 700 degrees C to obtain power cycle performance improvements for reducing large infrastructure costs of high-temperature systems. Current concentrating solar power (CSP) sensible HTF's (e.g. air, salts) have poor thermal conductivity, and thus low heat transfer capabilities, requiring a large receiver. The high thermal conductivity of sodium has demonstrated high heat transfer rates on dish and towers systems, which allow a reduction in receiver area by a factor of two to four, reducing re-radiation and convection losses and cost by a similar factor. Sodium produces saturated vapor at pressures suitable for transport starting at 600 degrees C and reaches one atmosphere at 870 degrees C, providing a wide range of suitable operating conditions that match proposed high temperature, isothermal power cycles. This advantage could increase the efficiency while lowering the cost of CSP tower systems. Although there are a number of desirable thermal performance advantages associated with sensible sodium, its propensity to rapidly oxidize presents safety challenges. This investigation presents a literature review that captures historical operations/handling lessons for advanced sodium receiver designs, and the current state-of-knowledge related to sodium combustion behavior. Technical and operational solutions addressing sodium safety and applications in CSP will be discussed, including unique safety hazards and advantages using latent sodium. Lessons obtained from the nuclear industry with sensible and latent systems will also be discussed in the context of safety challenges and risk mitigation solutions. C1 [Armijo, Kenneth M.; Andraka, Charles E.] Sandia Natl Labs, Concentrating Solar Power Dept 06123, PO 5800 MS 1127, Albuquerque, NM 87185 USA. RP Armijo, KM (reprint author), Sandia Natl Labs, Concentrating Solar Power Dept 06123, PO 5800 MS 1127, Albuquerque, NM 87185 USA. EM kmarmij@sandia.gov NR 34 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 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 040001 DI 10.1063/1.4949092 PG 9 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600068 ER PT S AU Babiniec, SM Coker, EN Ambrosini, A Miller, JE AF Babiniec, Sean M. Coker, Eric N. Ambrosini, Andrea Miller, James E. BE Rajpaul, V Richter, C TI ABO(3) (A = La, Ba, Sr, K; B = Co, Mn, Fe) Perovskites for Thermochemical Energy Storage SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA ID HIGH-TEMPERATURE; HEAT-STORAGE; CYCLES; OXIDES AB The use of perovskite oxides as a medium for thermochemical energy storage (TCES) in concentrating solar power systems is reported. The known reduction/oxidation (redox) active perovskites LaxSr1-xCoyMn1-yO3 (LSCM) and LaxSr1-xCoyFe1-yO3 (LSCF) were chosen as a starting point for such research. Materials of the LSCM and LSCF family were previously synthesized, their structure characterized, and thermodynamics reported for TCES operation. Building on this foundation, the reduction onset temperatures are examined for LSCM and LSCF compositions. The reduction extents and onset temperatures are tied to the crystallographic phase and reaction enthalpies. The effect of doping with Ba and K is discussed, and the potential shortcomings of this subset of materials families for TCES are described. The potential for long-term stability of the most promising material is examined through thermogravimetric cycling, scanning electron microscopy, and dilatometry. The stability over 100 cycles (450-1050 degrees C) of an LSCM composition is demonstrated. C1 [Coker, Eric N.; Miller, James E.] Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE St 100, Albuquerque, NM 87106 USA. [Babiniec, Sean M.; Ambrosini, Andrea] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Miller, JE (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE St 100, Albuquerque, NM 87106 USA. EM jemille@sandia.gov NR 18 TC 0 Z9 0 U1 9 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 050006 DI 10.1063/1.4949104 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600080 ER PT S AU Christian, J Ho, C AF Christian, Joshua Ho, Clifford BE Rajpaul, V Richter, C TI Design Requirements, Challenges, and Solutions for High-Temperature Falling Particle Receivers SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA AB Falling particle receivers (FPR) utilize small particles as a heat collecting medium within a cavity receiver structure. Previous analysis for FPR systems include computational fluid dynamics (CFD), analytical evaluations, and experiments to determine the feasibility and achievability of this CSP technology. Sandia National Laboratories has fabricated and tested a 1 MWth FPR that consists of a cavity receiver, top hopper, bottom hopper, support structure, particle elevator, flux target, and instrumentation. Design requirements and inherent challenges were addressed to enable continuous operation of flowing particles under high-flux conditions and particle temperatures over 700 degrees C. Challenges include being able to withstand extremely high temperatures (up to 1200 degrees C on the walls of the cavity), maintaining particle flow and conveyance, measuring temperatures and mass flow rates, filtering out debris, protecting components from direct flux spillage, and measuring irradiance in the cavity. Each of the major components of the system is separated into design requirements, associated challenges and corresponding solutions. The intent is to provide industry and researchers with lessons learned to avoid pitfalls and technical problems encountered during the development of Sandia's prototype particle receiver system at the National Solar Thermal Test Facility (NSTTF). C1 [Christian, Joshua; Ho, Clifford] Sandia Natl Labs, Concentrating Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA. RP Christian, J (reprint author), Sandia Natl Labs, Concentrating Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA. EM jmchris@sandia.gov NR 16 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 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 030008 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600036 ER PT S AU Ermanoski, I Grobbel, J Singh, A Lapp, J Brendelberger, S Roeb, M Sattler, C Whaley, J McDaniel, A Siegel, NP AF Ermanoski, Ivan Grobbel, Johannes Singh, Abhishek Lapp, Justin Brendelberger, Stefan Roeb, Martin Sattler, Christian Whaley, Josh McDaniel, Anthony Siegel, Nathan P. BE Rajpaul, V Richter, C TI Design and Construction of a Cascading Pressure Reactor Prototype for Solar-Thermochemical Hydrogen Production SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA ID FUEL PRODUCTION; THERMAL REDUCTION; WATER; 2-STEP; EFFICIENCY; RESISTANCE; HEAT AB Recent work regarding the efficiency maximization for solar thermochemical fuel production in two step cycles has led to the design of a new type of reactor-the cascading pressure reactor-in which the thermal reduction step of the cycle is completed in multiple stages, at successively lower pressures. This approach enables lower thermal reduction pressures than in single-staged reactors, and decreases required pump work, leading to increased solar to fuel efficiencies. Here we report on the design and construction of a prototype cascading pressure reactor and testing of some of the key components. We especially focus on the technical challenges particular to the design, and their solutions. C1 [Ermanoski, Ivan] Sandia Natl Labs, POB 5800,MS 1415, Albuquerque, NM 87123 USA. [Grobbel, Johannes] German Aerosp Ctr, Prof Rehm Str 1, D-52428 Julich, Germany. [Singh, Abhishek; Lapp, Justin; Brendelberger, Stefan; Roeb, Martin; Sattler, Christian] German Aerosp Ctr, D-51147 Cologne, Germany. [Whaley, Josh; McDaniel, Anthony] Sandia Natl Labs, Livermore, CA 94551 USA. [Siegel, Nathan P.] Bucknell Univ, Dept Mech Engn, Lewisburg, PA 17837 USA. RP Ermanoski, I (reprint author), Sandia Natl Labs, POB 5800,MS 1415, Albuquerque, NM 87123 USA. EM iermano@sandia.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 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 120001 DI 10.1063/1.4949203 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600178 ER PT S AU Fernandez, AG Gomez, JC Galleguillos, H Fuentealba, E AF Fernandez, Angel G. Gomez, Judith C. Galleguillos, Hector Fuentealba, Edward BE Rajpaul, V Richter, C TI Thermophysical Properties and Corrosion Characterization of Low Cost Lithium Containing Nitrate Salts Produced in Northern Chile for Thermal Energy Storage SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA ID CSP PLANTS AB In recent years, lithium containing salts have been studied for thermal energy storage (TES) systems applications, because of their optimal thermophysical properties. In solar power plants, lithium is seen as a way to improve the properties of molten salts used today. Lithium nitrate is a good candidate for sensible heat storage, due to its ability to increase the salt mixture's working temperature range. In the present research, thermophysical properties characterization of lithium nitrate containing salts, produced in Chile, have been carried out. Corrosion evaluations of carbon and low chromium steels were performed at 390 degrees C for 1000 hours. Thermophysical properties of the salt mixtures, such as thermal stability and heat capacity, were measured before and after corrosion tests. Chemical composition of the salts was also determined and an estimation of Chilean production costs is reported. Results showed that purity, thermal stability and heat capacity of the salts were reduced, caused by partial thermal decomposition and incorporation of corrosion products from the steel. C1 [Fernandez, Angel G.; Fuentealba, Edward] Univ Antofagasta, Energy Dev Ctr, Ave Univ Antofagasta, Antofagasta 02800, Chile. [Fernandez, Angel G.; Gomez, Judith C.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Galleguillos, Hector] Univ Antofagasta, Dept Chem Engn, Ave Univ Antofagasta, Antofagasta 02800, Chile. RP Fernandez, AG (reprint author), Univ Antofagasta, Energy Dev Ctr, Ave Univ Antofagasta, Antofagasta 02800, Chile.; Fernandez, AG (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM angel.fernandez@uantof.cl NR 10 TC 0 Z9 0 U1 3 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 050014 DI 10.1063/1.4949112 PG 6 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600088 ER PT S AU Ho, CK Christian, JM Yellowhair, J Siegel, N Jeter, S Golob, M Abdel-Khalik, SI Nguyen, C Al-Ansary, H AF Ho, Clifford K. Christian, Joshua M. Yellowhair, Julius Siegel, Nathan Jeter, Sheldon Golob, Matthew Abdel-Khalik, Said I. Nguyen, Clayton Al-Ansary, Hany BE Rajpaul, V Richter, C TI On-Sun Testing of an Advanced Falling Particle Receiver System SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA ID HEAT-TRANSFER FLUID; NUMERICAL-SIMULATION; SOLID PARTICLES; FLOW; ENERGY; MEDIA AB A 1 MWth high-temperature falling particle receiver was constructed and tested at the National Solar Thermal Test Facility at Sandia National Laboratories. The continuously recirculating system included a particle elevator, top and bottom hoppers, and a cavity receiver that comprised a staggered array of porous chevron-shaped mesh structures that slowed the particle flow through the concentrated solar flux. Initial tests were performed with a peak irradiance of similar to 300 kW/m(2) and a particle mass flow rate of 3.3 kg/s. Peak particle temperatures reached over 700 degrees C near the center of the receiver, but the particle temperature increase near the sides was lower due to a non-uniform irradiance distribution. At a particle inlet temperature of similar to 440 degrees C, the particle temperature increase was 27 degrees C per meter of drop length, and the thermal efficiency was similar to 60% for an average irradiance of 110 kW/m(2). At an average irradiance of 211 kW/m(2), the particle temperature increase was 57.1 degrees C per meter of drop length, and the thermal efficiency was similar to 65%. Tests with higher irradiances are being performed and are expected to yield greater particle temperature increases and efficiencies. C1 [Ho, Clifford K.; Christian, Joshua M.; Yellowhair, Julius] Sandia Natl Labs, POB 5800,MS-1127, Albuquerque, NM 87185 USA. [Siegel, Nathan] Bucknell Univ, 1 Dent Dr, Lewisburg, PA 17837 USA. [Jeter, Sheldon; Golob, Matthew; Abdel-Khalik, Said I.; Nguyen, Clayton] Georgia Inst Technol, 771 Ferst Dr, Atlanta, GA 30332 USA. [Al-Ansary, Hany] King Saud Univ, Riyadh 12372, Saudi Arabia. RP Ho, CK (reprint author), Sandia Natl Labs, POB 5800,MS-1127, Albuquerque, NM 87185 USA. EM ckho@sandia.gov NR 30 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 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 030022 DI 10.1063/1.4949074 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600050 ER PT S AU Ho, CK Christian, JM Yellowhair, J Ortega, J Andraka, C AF Ho, Clifford K. Christian, Joshua M. Yellowhair, Julius Ortega, Jesus Andraka, Charles BE Rajpaul, V Richter, C TI Fractal-Like Receiver Geometries and Features for Increased Light Trapping and Thermal Efficiency SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA AB Novel designs to increase light trapping and thermal efficiency of concentrating solar receivers at multiple length scales have been conceived and tested. The fractal-like geometries and features are introduced at both macro (meters) and meso (millimeters to centimeters) scales. Advantages include increased solar absorptance, reduced thermal emittance, and increased thermal efficiency. Radial and linear structures at the meso (tube shape and geometry) and macro (total receiver geometry and configuration) scales redirect reflected solar radiation toward the interior of the receiver for increased absorptance. Hotter regions within the interior of the receiver can reduce thermal emittance due to reduced local view factors to the environment, and higher concentration ratios can be employed with similar surface irradiances to reduce the effective optical aperture, footprint, and thermal losses. Coupled optical/fluid/thermal models have been developed to evaluate the performance of these designs relative to conventional designs, and meso-scale tests have been performed. Results show that fractal-like structures and geometries can increase the thermal efficiency by several percentage points at both the meso and macro scales, depending on factors such as intrinsic absorptance. The impact was more pronounced for materials with lower intrinsic solar absorptances (< 0.9). The goal of this work is to increase the effective solar absorptance of oxidized substrate materials from similar to 0.9 to 0.95 or greater using these fractallike geometries without the need for coatings. C1 [Ho, Clifford K.; Christian, Joshua M.; Yellowhair, Julius; Ortega, Jesus; Andraka, Charles] Sandia Natl Labs, POB 5800,MS-1127, Albuquerque, NM 87185 USA. RP Ho, CK (reprint author), Sandia Natl Labs, POB 5800,MS-1127, Albuquerque, NM 87185 USA. EM ckho@sandia.gov NR 7 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 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 030021 DI 10.1063/1.4949073 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600049 ER PT S AU Ho, CK AF Ho, Clifford K. BE Rajpaul, V Richter, C TI Review of Avian Mortality Studies at Concentrating Solar Power Plants SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA ID ENERGY; BIRDS AB This paper reviews past and current avian mortality studies at concentrating solar power (CSP) plants and facilities including Solar One in California, the Solar Energy Development Center in Israel, Ivanpah Solar Electric Generating System in California, Crescent Dunes in Nevada, and Gemasolar in Spain. Findings indicate that the leading causes of bird deaths at CSP plants are from collisions (primarily with reflective surfaces; i.e., heliostats) and singeing caused by concentrated solar flux. Safe irradiance levels for birds have been reported to range between 4 and 50 kW/m(2). Above these levels, singeing and irreversible damage to the feathers can occur. Despite observations of large numbers of "streamers" in concentrated flux regions and reports that suggest these streamers indicate complete vaporization of birds, analyses in this paper show that complete vaporization of birds is highly improbable, and the observed streamers are likely due to insects flying into the concentrated flux. The levelized avian mortality rate during the first year of operation at Ivanpah was estimated to be 0.7 - 3.5 fatalities per GWh, which is less than the levelized avian mortality reported for fossil fuel plants but greater than that for nuclear and wind power plants. Mitigation measures include acoustic, visual, tactile, and chemosensory deterrents to keep birds away from the plant, and heliostat aiming strategies that reduce the solar flux during standby. C1 [Ho, Clifford K.] Sandia Natl Labs, POB 5800,MS-1127, Albuquerque, NM 87185 USA. RP Ho, CK (reprint author), Sandia Natl Labs, POB 5800,MS-1127, Albuquerque, NM 87185 USA. EM ckho@sandia.gov NR 21 TC 0 Z9 0 U1 4 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 070017 DI 10.1063/1.4949164 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600139 ER PT S AU Jorgenson, J Mehos, M Denholm, P AF Jorgenson, Jennie Mehos, Mark Denholm, Paul BE Rajpaul, V Richter, C TI Comparing the Net Cost of CSP-TES to PV Deployed with Battery Storage SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA ID ENERGY-STORAGE AB Concentrated solar power with thermal energy storage (CSP-TES) is a unique source of renewable energy in that its energy can be shifted over time and it can provide the electricity system with dependable generation capacity. In this study, we provide a framework to determine if the benefits of CSP-TES (shiftable energy and the ability to provide firm capacity) exceed the benefits of PV and firm capacity sources such as long-duration battery storage or conventional natural gas combustion turbines (CTs). The results of this study using current capital cost estimates indicate that a combination of PV and conventional gas CTs provides a lower net cost compared to CSP-TES and PV with batteries. Some configurations of CSP-TES have a lower net cost than PV with batteries for even the lowest battery cost estimate. Using projected capital cost targets, however, some configurations of CSP-TES have a lower net cost than PV with either option for even the lowest battery cost estimate. The net cost of CSP-TES varies with configuration, and lower solar multiples coupled with less storage are more attractive at current cost levels, due to high component costs. However, higher solar multiples show a lower net cost using projected future costs for heliostats and thermal storage materials. C1 [Jorgenson, Jennie; Mehos, Mark; Denholm, Paul] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Jorgenson, J (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM jennie.jorgenson@nrel.gov; mark.mehos@nrel.gov; paul.denholm@nrel.gov NR 17 TC 0 Z9 0 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 080003 DI 10.1063/1.4949183 PG 9 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600158 ER PT S AU Kim, T Singh, D Zhao, WH Yua, WH France, DM AF Kim, Taeil Singh, Dileep Zhao, Weihuan Yua, Wenhua France, David M. BE Rajpaul, V Richter, C TI An Investigation on the Effects of Phase Change Material on Material Components Used for High Temperature Thermal Energy Storage System SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA ID CONCENTRATED SOLAR POWER; CARBON-CARBON COMPOSITES; HEAT-TRANSFER ANALYSIS; CU-CLAD-MOLYBDENUM; MANAGEMENT APPLICATIONS; GRAPHITE FOAM; BRAZED JOINTS; CONDUCTIVITY; TITANIUM; METAL AB The latent heat thermal energy storage (LHTES) systems for concentrated solar power (CSP) plants with advanced power cycle require high temperature phase change materials (PCMs), Graphite foams with high thermal conductivity to enhance the poor thermal conductivity of PCMs. Brazing of the graphite foams to the structural metals of the LHTES system could be a method to assemble the system and a method to protect the structural metals from the molten salts. In the present study, the LHTES prototype capsules using MgCl2-graphite foam composites were assembled by brazing and welding, and tested to investigate the corrosion attack of the PCM salt on the BNi-4 braze. The microstructural analysis showed that the BNi-4 braze alloy can be used not only for the joining of structure alloy to graphite foams but also for the protecting of structure alloy from the corrosion by PCM. C1 [Kim, Taeil; Singh, Dileep; Zhao, Weihuan; Yua, Wenhua] Argonne Natl Lab, Div Energy Syst, 9700 South Cass Ave, Argonne, IL 60439 USA. [France, David M.] Univ Illinois, Dept Mech & Ind Engn, 842 West Taylor St M-C 251, Chicago, IL 60607 USA. RP Singh, D (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 South Cass Ave, Argonne, IL 60439 USA. EM dsingh@anl.gov NR 28 TC 0 Z9 0 U1 3 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 050023 DI 10.1063/1.4949121 PG 6 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600097 ER PT S AU Kruizenga, AM Withey, EA Andraka, CE Gibbs, PJ AF Kruizenga, A. M. Withey, E. A. Andraka, C. E. Gibbs, P. J. BE Rajpaul, V Richter, C TI Materials Compatibility in Dish-Stirling Solar Generators Using Cu-Si-Mg Eutectic for Latent Heat Storage SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA ID SILICON AB Dish-Stirling systems are a strong candidate to meet cost production goals for solar thermal power production. Thermal energy storage improves the capacity factor of thermal power systems; copper-silicon-magnesium eutectic alloys have been investigated as potential latent heat storage materials. This work examines the ability of commercially available plasma spray coatings to serve as protective barriers with these alloys, while highlighting mechanistic insights into materials for latent heat storage systems. Computed tomography was leveraged as a rapid screening tool to assess the presence of localized attack in tested coatings. C1 [Kruizenga, A. M.; Withey, E. A.; Gibbs, P. J.] Sandia Natl Labs, POB 0969, Livermore, CA 94550 USA. [Andraka, C. E.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Kruizenga, AM (reprint author), Sandia Natl Labs, POB 0969, Livermore, CA 94550 USA. EM amkruiz@sandia.gov 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 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 050026 DI 10.1063/1.4949124 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600100 ER PT S AU Kurup, P Turchi, C AF Kurup, Parthiv Turchi, Craig BE Rajpaul, V Richter, C TI Potential for Solar Industrial Process Heat in the United States: A Look at California SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA AB The use of Concentrating Solar Power (CSP) collectors (e.g., parabolic trough or linear Fresnel systems) for industrial thermal applications has been increasing in global interest in the last few years. In particular, the European Union has been tracking the deployment of Solar Industrial Process Heat (SIPH) plants. Although relatively few plants have been deployed in the United States (U.S.), we establish that 29% of primary energy consumption in the U.S. manufacturing sector is used for process heating. Perhaps the best opportunities for SIPH reside in the state of California due to its excellent solar resource, strong industrial base, and solar-friendly policies. This initial analysis identified 48 TWhth/year of process heat demand in certain California industries versus a technical solar-thermal energy potential of 23,000 TWhth/year. The top five users of industrial steam in the state are highlighted and special attention paid to the food sector that has been an early adopter of SIPH in other countries. A comparison of the cost of heat from solar-thermal collectors versus the cost of industrial natural gas in California indicates that SIPH may be cost effective even under the relatively low gas prices seen in 2014. A recommended next step is the identification of pilot project candidates to promote the deployment of SIPH facilities. C1 [Kurup, Parthiv; Turchi, Craig] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Kurup, P (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM parthiv.kurup@nrel.gov; craig.turchi@nrel.gov NR 12 TC 0 Z9 0 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 110001 DI 10.1063/1.4949198 PG 9 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600173 ER PT S AU Olsen, ML Rea, J Glatzmaier, GC Hardin, C Oshman, C Vaughn, J Roark, T Raade, JW Bradshaw, RW Sharp, J Avery, AD Bobela, D Bonner, R Weigand, R Campo, D Parilla, PA Siegel, NP Toberer, ES Ginley, DS AF Olsen, M. L. Rea, J. Glatzmaier, G. C. Hardin, C. Oshman, C. Vaughn, J. Roark, T. Raade, J. W. Bradshaw, R. W. Sharp, J. Avery, A. D. Bobela, D. Bonner, R. Weigand, R. Campo, D. Parilla, P. A. Siegel, N. P. Toberer, E. S. Ginley, D. S. BE Rajpaul, V Richter, C TI Solar Thermoelectricity via Advanced Latent Heat Storage SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER AND CHEMICAL ENERGY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 21st International Conference on Concentrating Solar Power and Chemical Energy Systems (SolarPACES) CY OCT 13-16, 2015 CL Cape Town, SOUTH AFRICA AB We report on a new modular, dispatchable, and cost-effective solar electricity-generating technology. Solar ThermoElectricity via Advanced Latent heat Storage (STEALS) integrates several state-of-the-art technologies to provide electricity on demand. In the envisioned STEALS system, concentrated sunlight is converted to heat at a solar absorber. The heat is then delivered to either a thermoelectric (TE) module for direct electricity generation, or to charge a phase change material for thermal energy storage, enabling subsequent generation during off-sun hours, or both for simultaneous electricity production and energy storage. The key to making STEALS a dispatchable technology lies in the development of a "thermal valve," which controls when heat is allowed to flow through the TE module, thus controlling when electricity is generated. The current project addresses each of the three major subcomponents, (i) the TE module, (ii) the thermal energy storage system, and (iii) the thermal valve. The project also includes system-level and techno-economic modeling of the envisioned integrated system and will culminate in the demonstration of a laboratory-scale STEALS prototype capable of generating 3kW(e). C1 [Olsen, M. L.; Glatzmaier, G. C.; Avery, A. D.; Bobela, D.; Parilla, P. A.; Toberer, E. S.; Ginley, D. S.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Rea, J.; Hardin, C.; Oshman, C.; Toberer, E. S.] Colorado Sch Mines, 1500 Illinois St, Golden, CO 80401 USA. [Vaughn, J.; Roark, T.; Raade, J. W.; Bradshaw, R. W.] Halotechnics Inc, 5980 Horton St 450, Inc Emeryville, CA 94608 USA. [Sharp, J.] Marlow Ind Inc, 10451 Vista Pk Rd, Dallas, TX 75238 USA. [Bonner, R.; Weigand, R.; Campo, D.] Adv Cooling Technol Inc, 1046 New Holland Ave, Lancaster, PA 17601 USA. [Siegel, N. P.] Bucknell Univ, 701 Moore Ave, Lewisburg, PA 17837 USA. RP Olsen, ML (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM michele.olsen@nrel.gov NR 23 TC 0 Z9 0 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-1386-3 J9 AIP CONF PROC PY 2016 VL 1734 AR 050035 DI 10.1063/1.4949133 PG 8 WC Energy & Fuels; Physics, Applied SC Energy & Fuels; Physics GA BF1CY UT WOS:000380374600109 ER EF