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

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

doi:10.1016/0364-5916(89)90014-X

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

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	139-147
Number of pages	9
Journal	Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume	13
Issue number	2
DOIs	https://doi.org/10.1016/0364-5916(89)90014-X
Publication status	Published - 1989
Externally published	Yes

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Computer Science Applications

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10.1016/0364-5916(89)90014-X

Cite this

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title = "Monte carlo calculation of the ferrite/austenite equilibrium in Fe-C alloys",

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.",

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year = "1989",

doi = "10.1016/0364-5916(89)90014-X",

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AU - Lim, S. H.

AU - Murch, G. E.

AU - Oates, W. A.

PY - 1989

Y1 - 1989

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/0024645859

U2 - 10.1016/0364-5916(89)90014-X

DO - 10.1016/0364-5916(89)90014-X

M3 - Article

AN - SCOPUS:0024645859

SN - 0364-5916

VL - 13

SP - 139

EP - 147

JO - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

JF - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

IS - 2

ER -

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

Abstract

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