Theoretical investigation of phase equilibria by the continuous displacement cluster variation method

Tetsuo Mohri

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

By employing the continuous displacement cluster variation method, order - disorder transition behavior of a twodimensional square lattice is investigated. It is demonstrated that the distribution of displaced atoms around a Bravais lattice point continuously changes with temperature. The additional freedom of atomic displacement contributes to the entropy and thermal lattice expansion is confirmed. Finally, it is shown that the order - disorder transition temperature decreases as compared with the one by the conventional cluster variation method in which no local atomic displacements are allowed.

Original languageEnglish
Pages (from-to)301-307
Number of pages7
JournalInternational Journal of Materials Research
Volume100
Issue number3
DOIs
Publication statusPublished - 2009 Jun 16

Keywords

  • Continuous displacement cluster variation method
  • Lattice relaxation
  • Thermal expansion
  • Two-dimensional square lattice

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Metals and Alloys
  • Materials Chemistry

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