Vacancy interactions in cluster expansion formalism Academic Article uri icon

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. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001

publication date

  • September 24, 2001