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February 1996

February 1996 Image

Information from the Table of Contents may be reproduced.

Volume 21, No. 2 February 1996

A Publication of the Materials Research Society

Please note: Only a minimal amount of online content is available for this issue (and all issues between 1996 and 2000). Below is the table of contents as it was originally published.


INTERATOMIC POTENTIALS FOR ATOMISTIC SIMULATIONS

    Interatomic Potentials for Atomistic Simulations
    A.F. Voter, Guest Editor

    Pair Potentials in Atomistic Computer Simulations
    V. Vitek

    Embedded-Atom and Related Methods for Modeling Metallic Systems
    S.M. Foiles

    The Shell Model and Interatomic Potentials for Ceramics
    M. Stoneham, J. Harding, and T. Harker

    Chemical Dynamics and Bond-Order Potentials
    D.W. Brenner

    Tight-Binding Theory and Computational Materials Synthesis
    A.P. Sutton, P.D. Godwin, and A.P. Horsfield

MRS NEWS

  • Preview: 1996 MRS Spring Meeting

JMR ABSTRACTS

DEPARTMENTS

    Material Matters
    Advertisers in This Issue
    Research/Researchers
    Washington News
    Resources
    Editor's Choice
    Links of Science & Technology
      Diamond Synthesis: The Russian Connection,
      R.C. DeVries, A. Badzian, and R. Roy
    Historical Note
    Library
    Classified

ON THE COVER: Molecular-dynamics simulation of crack blunting by dislocation emission in copper under tensile loading using a realistic, embedded-atom interatomic potential. An atomistically sharp crack (artificially prepared) becomes an elliptical cylinder as the system is strained vertically to 4.7% (rate = 10 billion/s). Atoms are visualized in order of their potential energy (perfect bulk atoms are invisible): Crack blunting dislocation loops emitted in the {111} planes and jogging dislocations emitted at the junction of the crack front with the free surface are white and gray; the internal (001) crack surfaces are yellow; two (110) free surfaces terminating the crack are red (first subsurface layer is gray); the junction of the crack and the (110) surface is cyan. This 3.5 million-atom simulation was performed by Shujia Zhou, David Beazely, Peter Lomdahl, Brad Holian, and Art Voter of the Theoretical Division at Los Alamos National Laboratory, using the massively parallel SPaSM code on the CM-5 in the Advanced Computing Laboratory. An introduction to interatomic potentials for atomistic simulations begins with A.F. Voter's article, "Interatomic Potentials for Atomistic Simulations."