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

  • John R. Smith
  • Tom Perry
  • Amitava Banerjea


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.


Interplanar Spacing Oscillatory Relaxation Perturbation Series Embed Atom methodS Vacancy Formation Energy 
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Copyright information

© Plenum Press, New York 1989

Authors and Affiliations

  • John R. Smith
    • 1
  • Tom Perry
    • 1
  • Amitava Banerjea
    • 2
  1. 1.Physics DepartmentGeneral Motors Research LaboratoriesWarrenUSA
  2. 2.NASA Lewis Research CenterClevelandUSA

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