Calculation of phase equilibrium between structural phases with a magnetic transition by the cluster variation method

Y. W. Yuan; J. S. Pan; X. J. Liu; S. M. Hao

doi:10.1023/A:1022638011759

Calculation of phase equilibrium between structural phases with a magnetic transition by the cluster variation method

Y. W. Yuan^*
, J. S. Pan
, X. J. Liu
, S. M. Hao

^*Corresponding author for this work

Tsinghua University
Northeastern University China

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The phase equilibrium between structural phases with a magnetic transition is investigated using the CV-pair approximation of the cluster variation method (CVM). By the geometric analysis of the grand potential, it is demonstrated that the grand potential and effective chemical potential of the different structural phases with a magnetic transition can be separated into paramagnetic and magnetic terms. In addition, the molar grand potential-effective chemical potential curve can be obtained from the relevant molar energy diagram. A calculation method for the phase equilibrium between structural phases with a magnetic transition is proposed; this method is applied to the α/γ phase equilibrium in the Fe-Mn binary system, and the calculated phase diagram closely approximates the experimental diagram.

Original language	English
Pages (from-to)	755-770
Number of pages	16
Journal	International Journal of Thermophysics
Volume	20
Issue number	2
DOIs	https://doi.org/10.1023/A:1022638011759
State	Published - 1999
Externally published	Yes

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title = "Calculation of phase equilibrium between structural phases with a magnetic transition by the cluster variation method",

abstract = "The phase equilibrium between structural phases with a magnetic transition is investigated using the CV-pair approximation of the cluster variation method (CVM). By the geometric analysis of the grand potential, it is demonstrated that the grand potential and effective chemical potential of the different structural phases with a magnetic transition can be separated into paramagnetic and magnetic terms. In addition, the molar grand potential-effective chemical potential curve can be obtained from the relevant molar energy diagram. A calculation method for the phase equilibrium between structural phases with a magnetic transition is proposed; this method is applied to the α/γ phase equilibrium in the Fe-Mn binary system, and the calculated phase diagram closely approximates the experimental diagram.",

author = "Yuan, \{Y. W.\} and Pan, \{J. S.\} and Liu, \{X. J.\} and Hao, \{S. M.\}",

year = "1999",

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T1 - Calculation of phase equilibrium between structural phases with a magnetic transition by the cluster variation method

AU - Yuan, Y. W.

AU - Pan, J. S.

AU - Liu, X. J.

AU - Hao, S. M.

PY - 1999

Y1 - 1999

N2 - The phase equilibrium between structural phases with a magnetic transition is investigated using the CV-pair approximation of the cluster variation method (CVM). By the geometric analysis of the grand potential, it is demonstrated that the grand potential and effective chemical potential of the different structural phases with a magnetic transition can be separated into paramagnetic and magnetic terms. In addition, the molar grand potential-effective chemical potential curve can be obtained from the relevant molar energy diagram. A calculation method for the phase equilibrium between structural phases with a magnetic transition is proposed; this method is applied to the α/γ phase equilibrium in the Fe-Mn binary system, and the calculated phase diagram closely approximates the experimental diagram.

AB - The phase equilibrium between structural phases with a magnetic transition is investigated using the CV-pair approximation of the cluster variation method (CVM). By the geometric analysis of the grand potential, it is demonstrated that the grand potential and effective chemical potential of the different structural phases with a magnetic transition can be separated into paramagnetic and magnetic terms. In addition, the molar grand potential-effective chemical potential curve can be obtained from the relevant molar energy diagram. A calculation method for the phase equilibrium between structural phases with a magnetic transition is proposed; this method is applied to the α/γ phase equilibrium in the Fe-Mn binary system, and the calculated phase diagram closely approximates the experimental diagram.

UR - https://www.scopus.com/pages/publications/0033101453

U2 - 10.1023/A:1022638011759

DO - 10.1023/A:1022638011759

M3 - 文章

AN - SCOPUS:0033101453

SN - 0195-928X

VL - 20

SP - 755

EP - 770

JO - International Journal of Thermophysics

JF - International Journal of Thermophysics

IS - 2

ER -

Calculation of phase equilibrium between structural phases with a magnetic transition by the cluster variation method

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