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New, Simple Approach to Defect Energies in Solids via Equivalent Crystals

  • Chapter
Atomistic Simulation of Materials

Abstract

It is evident from many of the presentations of this symposium that it is now reasonable to consider the computation and simulation of real materials phenomena. It would be desirable, for example, to have an atomistic model of crack initiation and growth or of adhesion and friction processes. This would require going beyond pair potentials with a method that is quantum mechanical in origin, accurate, and yet simple enough to allow one to deal with the low symmetries found in these phenomena.

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Author information

Authors and Affiliations

  1. Physics Department, General Motors Research Laboratories, Warren, MI, 48090-9055, USA

    John R. Smith & Tom Perry

  2. NASA Lewis Research Center, Cleveland, OH, 44135, USA

    Amitava Banerjea

Authors
  1. John R. Smith
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  2. Tom Perry
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  3. Amitava Banerjea
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Editor information

Editors and Affiliations

  1. University of Pennsylvania, Philadelphia, Pennsylvania, USA

    Vaclav Vitek

  2. The University of Michigan, Ann Arbor, Michigan, USA

    David J. Srolovitz

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© 1989 Plenum Press, New York

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Smith, J.R., Perry, T., Banerjea, A. (1989). New, Simple Approach to Defect Energies in Solids via Equivalent Crystals. In: Vitek, V., Srolovitz, D.J. (eds) Atomistic Simulation of Materials. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-5703-2_29

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  • DOI: https://doi.org/10.1007/978-1-4684-5703-2_29

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-5705-6

  • Online ISBN: 978-1-4684-5703-2

  • eBook Packages: Springer Book Archive

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