Effective mixing potentials and ordering thermodynamics of alloys

David Fuks, Simon Dorfman

Research output: Contribution to journalArticlepeer-review

Abstract

On the basis of a nonempirical pair potential, the temperature dependencies of the long-range-order parameter of NiTi and AuPd are calculated. The suggested effective potential approach allows one to describe the changes in phase relations. The evaluation of the internal mixing energy of alloys is carried out in the framework of the static concentration waves theory of Khachaturyan. The model outlines the technique to calculate the values of the energy parameters of the ordering process from first principles.

Original languageEnglish
Pages (from-to)897-901
Number of pages5
JournalInternational Journal of Quantum Chemistry
Volume57
Issue number5
DOIs
StatePublished - 5 Mar 1996

ASJC Scopus subject areas

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

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