Theoretical investigation of phase equilibria for metal-hydrogen alloy

Tetsuo Mohri

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)


Cluster variation method (CVM) was applied to calculate phase equilibria of metal-hydrogen systems. Two subjects are introduced in the present report. One is the summary of previous studies on the Pd-H system, and it is demonstrated that a single CVM free energy formula can systematically derive information of phase equilibria, intrinsic stability, and short range order diffuse intensities. The second subject is the theoretical calculations of superabundant vacancy (SAV) formation. Within the square approximation of the CVM, it is shown that abundant vacancies are introduced with the absorption of hydrogen when the interaction between vacancy and hydrogen is considered.

Original languageEnglish
Pages (from-to)72-78
Number of pages7
JournalJournal of Phase Equilibria and Diffusion
Issue number1
Publication statusPublished - 2007 Feb
Externally publishedYes


  • Cluster variation method
  • Pd-H phase diagram
  • Pd-H system
  • Short range order diffuse intensity
  • Square lattice
  • Superabundant vacancy
  • Tetrahedron-octahedron approximation

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Metals and Alloys
  • Materials Chemistry


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