Lattice statistics and dynamics within cluster variation method

Yasunori Yamada, Tetsuo Mohri

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

The conventional Cluster Variation Method (CVM) does not explicitly consider both lattice vibration and local lattice relaxation effects. As discussed in the previous studies, these deficiencies result in overestimation of order-disorder transformation temperatures for the Cu-Au phase diagram. In the present paper, we propose modified CVM which explicitly takes both the effects mentioned above into account. By employing the present modified CVM, we evaluated both lattice vibration and local lattice relaxation effects, and estimated free energy of mixing for Cu-Au disordered phase at a finite temperature.

Original languageEnglish
Pages (from-to)481-487
Number of pages7
JournalMaterials Transactions
Volume57
Issue number4
DOIs
Publication statusPublished - 2016

Keywords

  • Cluster variation method
  • Free energy of mixing
  • Lattice vibration
  • Local lattice relaxation

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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