Focus Session: Modeling of Rare Events: Methods and Applications I

Presentations

• Pathways to forming glass

  COFFEE_KLATCH · Invited

  March 1, 2012, 11:15 AM – March 1, 2012, 11:51 AM

  Authors

  • David Chandler

    • University of California, Berkeley

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• The kinetic activation-relaxation technique: an off-lattice, self-learning kinetic Monte Carlo algorithm with on-the-fly event search

  COFFEE_KLATCH · Invited

  March 1, 2012, 11:51 AM – March 1, 2012, 12:27 PM

  Authors

  • Nomand Mousseau

    • Universite de Montreal
    • Dept. de physique and RQMP, Universite de Montreal, Canada
    • D\'{e}partement de physique, Universit\'{e} de Montr\'{e}al, Qu\'{e}bec, Canada
    • Universit\'e de Montr\'eal

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• An improved Activation-Relaxation Technique method for finding transition pathways

  ORAL

  March 1, 2012, 12:27 PM – March 1, 2012, 12:39 PM

  Authors

  • Frederic Legoll

    • Ecole Nationale des Ponts et Chaussees

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• ABSTRACT WITHDRAWN

  March 1, 2012, 12:39 PM – March 1, 2012, 12:51 PM

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• Entropic stabilization of nanoscale voids in materials under tension

  ORAL

  March 1, 2012, 12:51 PM – March 1, 2012, 1:03 PM

  Authors

  • Danny Perez

    • Theoretical Division T-1, Los Alamos National Laboratory, Los Alamos, NM

  • Arthur F. Voter

    • Theoretical Division T-1, Los Alamos National Laboratory, Los Alamos, NM

  • Timothy C. Germann

    • Los Alamos National Laboratory
    • Theoretical Division T-1, Los Alamos National Laboratory, Los Alamos, NM

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• Estimate Exponential Large Mean Exit Time for Diffusion Process

  ORAL

  March 1, 2012, 1:03 PM – March 1, 2012, 1:15 PM

  Authors

  • Xiang Zhou

    • Brown University

  • Hui Wang

    • Brown University

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• K-ART study of defect evolution on experimental time scales in bcc iron and Cu--Zr interfaces

  ORAL

  March 1, 2012, 1:15 PM – March 1, 2012, 1:27 PM

  Authors

  • Peter Brommer

    • D\'{e}partement de physique, Universit\'{e} de Montr\'{e}al, Qu\'{e}bec, Canada

  • Nomand Mousseau

    • Universite de Montreal
    • Dept. de physique and RQMP, Universite de Montreal, Canada
    • D\'{e}partement de physique, Universit\'{e} de Montr\'{e}al, Qu\'{e}bec, Canada
    • Universit\'e de Montr\'eal

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• Accelerated Molecular Dynamics of GaAs(001) Homoepitaxy: Effects of Long-Range Disorder

  ORAL

  March 1, 2012, 1:27 PM – March 1, 2012, 1:39 PM

  Authors

  • Yangzheng Lin

    • Penn State University

  • Kristen Fichthorn

    • Penn State University
    • The Pennsylvania State University

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• Ultimate self-learning metabasin escape algorithm for supercooled liquids and glasses

  ORAL

  March 1, 2012, 1:39 PM – March 1, 2012, 1:51 PM

  Authors

  • Penghui Cao

    • Department of Mechanical Engineering, Boston University

  • Harold S. Park

    • Department of Mechanical Engineering, Boston University

  • Xi Lin

    • Boston University
    • Department of Mechanical Engineering and Division of Materials Science and Engineering, Boston University
    • Department of Mechanical Engineering, Boston University
    • Division of Materials Science and Engineering, Boston University

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• Modeling Correlation and Defect Effects on Mixed Polaronic and Ionic Transport in Rare-Earth Phosphates

  ORAL

  March 1, 2012, 1:51 PM – March 1, 2012, 2:03 PM

  Authors

  • Nicole Adelstein

    • University of California at Berkeley

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• ABSTRACT WITHDRAWN

  March 1, 2012, 2:03 PM – March 1, 2012, 2:15 PM

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