Phenomenological calculation of phase equilibria in the Fe-Ni system

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

doi:10.1016/S0364-5916(02)80011-6

Phenomenological calculation of phase equilibria in the Fe-Ni system

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

Institute for Materials Research (IMR)

Research output: Contribution to journal › Article

11 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	591-597
Number of pages	7
Journal	Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume	26
Issue number	4
DOIs	https://doi.org/10.1016/S0364-5916(02)80011-6
Publication status	Published - 2002 Dec 1

ASJC Scopus subject areas

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

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Horiuchi, T., Igarashi, M., Abe, F., & Mohri, T. (2002). Phenomenological calculation of phase equilibria in the Fe-Ni system. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, 26(4), 591-597. https://doi.org/10.1016/S0364-5916(02)80011-6

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abstract = "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.",

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AU - Mohri, T.

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AB - 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.

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