Phenomenological calculation of phase equilibria in the Fe-Ni system

T. Horiuchi, M. Igarashi, F. Abe, T. Mohri

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)


In order to seek inexpensive substituting elements for Pd in an Fe-Pd based L10 ordered phase, a phenomenological calculation based on the cluster variation method combined with a Lennard-Jones type pair-wise atomic interaction energies has been attempted for a Fe-Ni binary system. The phase equilibria for FeNi3-disorder and FeNi-disorder are investigated. In particular, a tetragonal distortion is explicitly considered for the FeNi L10 ordered phase. The calculated FeNi3-disorder phase boundary shows good agreements with an experimental result. An FeNi L10 ordered phase which does not appear in a conventional Fe-Ni binary phase diagram is predicted as a stable phase, implying that Ni is a potential substituting element for Pd in an Fe-Pd based L10 ordered phase.

Original languageEnglish
Pages (from-to)591-597
Number of pages7
JournalCalphad: Computer Coupling of Phase Diagrams and Thermochemistry
Issue number4
Publication statusPublished - 2002 Dec

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Computer Science Applications


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