Theoretical investigation of the phase stability of intermetallic compounds by CVM and PPM

Tetsuo Mohri, Chang Seok Oh, Satoshi Takizawa, Tomoo Suzuki

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Theoretical investigations on the phase stability of intermetallic compounds are categorized into three groups: studies for the ground-state stability, the relative stability at finite temperatures and time evolution and devolution kinetics in a non-equilibrium state. Electronic structure calculations, the cluster variation method and the path probability method are proposed as potential theoretical tools, respectively, for each category. A number of examples of our previous calculations are presented to demonstrate that these methods are fully compatible and provide a sound basis for a general framework of the phase stability theory of intermetallic compounds.

Original languageEnglish
Pages (from-to)S3-S10
JournalIntermetallics
Volume4
Issue numberSUPPL. 1
DOIs
Publication statusPublished - 1996 Jan 1

Keywords

  • A. miscellaneous intermetallics
  • B. phase stability
  • Calculation
  • E. electronic structure
  • Ordering energies
  • Phase diagram preditions

ASJC Scopus subject areas

  • Chemistry(all)
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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