Focus Session: Computational Nanoscience V: Mechanical Properties and General Methods

Presentations

• Materials under Extreme Conditions: Ultrahigh Strength under Shock Loading

  COFFEE_KLATCH · Invited

  March 12, 2008, 7:00 AM – March 12, 2008, 7:36 AM

  Authors

  • Eduardo M. Bringa

    • Lawrence Livermore National Laboratory

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• Effects of nanoscale structure on the mechanical properties of nanoporous silica.

  ORAL

  March 12, 2008, 7:36 AM – March 12, 2008, 7:48 AM

  Authors

  • Daniel Lacks

    • Case Western Reserve University

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• Phase-field simulations of martensite-martensite nanocomposites

  ORAL

  March 12, 2008, 7:48 AM – March 12, 2008, 8:00 AM

  Authors

  • Mathieu Bouville

    • Institute of Materials Research and Engineering

  • Rajeev Ahluwalia

    • Institute of Materials Research and Engineering

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• The dynamical activation-relaxation technique (DART): an on-the-fly kinetic Monte-Carlo algorithm

  ORAL

  March 12, 2008, 8:00 AM – March 12, 2008, 8:12 AM

  Authors

  • Fadwa El-Mellouhi

    • Dep. de physique and RQMP, Univ. de Montreal, Quebec, Canada

  • Michel Cote

    • Dep. de physique and RQMP, Univ. de Montreal, Quebec, Canada

  • Laurent J. Lewis

    • Dep. de physique and RQMP, Univ. de Montreal, Quebec, Canada

  • Normand Mousseau

    • Departement de physique and Regroupement quebecois sur les materiaux de pointe, Universite de Montreal.
    • Dep. de physique and RQMP, Univ. de Montreal, Quebec, Canada

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• Charge patching method for the calculation of electronic structure of organic semiconductors

  ORAL

  March 12, 2008, 8:12 AM – March 12, 2008, 8:24 AM

  Authors

  • Nenad Vukmirovic

    • Lawrence Berkeley National Laboratory

  • Lin-Wang Wang

    • Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Lab

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• Real-space grid representation of momentum and kinetic energy operators for electronic structure calculations.

  ORAL

  March 12, 2008, 8:24 AM – March 12, 2008, 8:36 AM

  Authors

  • Domenico Ninno

    • Universit\`a di Napoli Federico II, Dip. di Scienza Fisiche, Via Cintia, I-80126, Napoli

  • Giovanni Cantele

    • Universit\`a di Napoli Federico II, Dip. di Scienza Fisiche, Via Cintia, I-80126, Napoli

  • Fabio Trani

    • Universit\`a di Napoli Federico II, Dip. di Scienza Fisiche, Via Cintia, I-80126, Napoli

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• Single molecular NDR: A first principles study

  ORAL

  March 12, 2008, 8:36 AM – March 12, 2008, 8:48 AM

  Authors

  • Ranjit Pati

    • Department of Physics, Michigan Technological University, Houghton, MI 49931

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• Electron correlations in molecular wires: e-e interactionion both in leads and bridge

  ORAL

  March 12, 2008, 8:48 AM – March 12, 2008, 9:00 AM

  Authors

  • Yuri Dahnovsky

    • Department of Physics \& Astronomy, University of Wyoming, Laramie, WY 82071

  • Vince Ortiz

    • Department of Chemistry \& Biochemistry, Auburn University, Auburn

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• Characterizing Capture-Zone Distributions: Generalized Wigner vs.\ Alternative Forms, and Experimental Fits

  ORAL

  March 12, 2008, 9:00 AM – March 12, 2008, 9:12 AM

  Authors

  • T.L. Einstein

    • University of Maryland
    • U. of Maryland, College Park
    • University of Maryland, College Park

  • A. Pimpinelli

    • U. of Maryland, College Park
    • LASMEA, U. Blaise-Pascal, Clermont-2

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• Molecular simulations of capillary adhesion

  ORAL

  March 12, 2008, 9:12 AM – March 12, 2008, 9:24 AM

  Authors

  • Shengfeng Cheng

    • Johns Hopkins University

  • Mark Robbins

    • Johns Hopkins; Dept. of Physics and Astronomy
    • Johns Hopkins University
    • Dept. of Physics and Astronomy, Johns Hopkins University

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• Molecular propellers and tunneling-driven motors

  ORAL

  March 12, 2008, 9:24 AM – March 12, 2008, 9:36 AM

  Authors

  • Lela Vukovic

    • University of Illinois at Chicago

  • Boyang Wang

    • University of Illinois at Chicago

  • Petr Kral

    • University of Illinois at Chicago

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• An algebraic approach to computer program design and memory management

  ORAL

  March 12, 2008, 9:36 AM – March 12, 2008, 9:48 AM

  Authors

  • James Raynolds

    • University at Albany, State University of New York

  • Lenore Mullin

    • National Science Foundation

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• Giant Hall Effect in Laterally Inhomogeneous 2D Electron Gas

  ORAL

  March 12, 2008, 9:48 AM – March 12, 2008, 10:00 AM

  Authors

  • Hang Xie

    • Department of Physics, HongKong University of Science and Technology

  • Ping Sheng

    • Department of Physics, HongKong University of Science and Technology
    • Department of Physics and Institute of Nano Science and Technology, Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong, China

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