Monte Carlo simulation of phase separation in iron-based ternary alloys

K. Goto, Y. Saito, Y. Suwa

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Numerical simulations of phase separation in Fe-Cr-Mo ternary alloys were performed with use of a model based on the Monte Carlo simulation, in order to investigate mechanisms of phase separation in Fe-based ternary alloys. Cr-rich regions were formed in an Fe-40at.%Cr-5at%Mo alloy. Mo atoms enrich into the Cr-rich region and/or boundaries of Cr/Fe rich regions. Behaviors of Mo and Cr in an Fe 40at.%Mo-5at.%Cr alloy were similar to those in the Fe-40at.%Cr-5at. %Mo alloy. The first peak position of the structure factor moves on to the shorter side of the wave number with the increase of temperature. Analysis of the static structure factor of a minor element indicates that the bifurcation formation of concentration profile of the minor element occurs at peak positions of the major element which is predicted by a theory based on the Cahn-Hilliard equation.

Original languageEnglish
Pages (from-to)1267-1272
Number of pages6
JournalIntermetallics
Volume11
Issue number11-12 SPEC. ISS
DOIs
Publication statusPublished - 2003 Nov

Keywords

  • A. Ternary alloy systems
  • B. Phase transformations
  • E. Phase diagram prediction (ind. CALPHAD)

ASJC Scopus subject areas

  • Metals and Alloys

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