Thermodynamic properties of ternary alloys from Monte Carlo simulations

S. H. Lim, G. E. Murch, W. A. Oates

Research output: Contribution to journalArticlepeer-review

Abstract

Methods are presented for obtaining both the integral and partial molar energies, entropies and free energies of the components in rigid ternary substitutional alloy systems from the one Monte Carlo simulation. Tests of the methods for some model systems are presented and discussed.

Original languageEnglish
Pages (from-to)1251-1259
Number of pages9
JournalJournal of Physics and Chemistry of Solids
Volume50
Issue number12
DOIs
Publication statusPublished - 1989
Externally publishedYes

Keywords

  • Monte Carlo
  • computer simulation
  • lattice gas
  • ternary alloy
  • thermodynamics

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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