Monte carlo calculation of the ferrite/austenite equilibrium in Fe-C alloys

S. H. Lim, G. E. Murch, W. A. Oates

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

The α γ phase equilibrium in the Fe-C system has been calculated over a wide temperature range by using a new Monte Carlo procedure which permits the chemical potentials of carbon and iron in both phases to be equalised in a single simulation. By-products of the calculation are estimates of the standard carbon potential and the nearest neighbour C-C pairwise interaction energy in both phases and the relative lattice stability of pure bcc and fcc iron.

Original languageEnglish
Pages (from-to)139-147
Number of pages9
JournalCalphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume13
Issue number2
DOIs
Publication statusPublished - 1989
Externally publishedYes

ASJC Scopus subject areas

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

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