Vacancy interactions in cluster expansion formalism

David Fuks, Simon Dorfman

Research output: Contribution to journalConference articlepeer-review

1 Scopus citations

Abstract

Vacancies in metal are studied in the model of the atom-vacancy solid solution. Vacancy formation energy is discussed in terms of cluster expansion formalism. It is shown that effective interaction of vacancies is formally included in the energy of vacancy formation. The cluster expansion method illustrates that pairwise and nonpairwise interactions between atoms and vacancies are responsible for the interaction of vacancies in the atom-vacancy solid solution.

Original languageEnglish
Pages (from-to)301-306
Number of pages6
JournalInternational Journal of Quantum Chemistry
Volume85
Issue number4-5
DOIs
StatePublished - 15 Nov 2001
EventInternational Symposium on Atomic, Molecular and Condensed Matter Theory - St.Augustine, FL, United States
Duration: 24 Feb 20012 Mar 2001

Keywords

  • Cluster expansion
  • Self-diffusion
  • Solid solutions
  • Vacancies

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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