Calculation model of effective interchange interaction potential of DO22 phase based on microscopic phase-field

Weiping Dong; Zheng Chen; Yongxin Wang; Cong Xu; Yanli Lu

Calculation model of effective interchange interaction potential of DO₂₂ phase based on microscopic phase-field

Weiping Dong, Zheng Chen, Yongxin Wang, Cong Xu, Yanli Lu

Queen Mary University of London Engineering School

Northwestern Polytechnical University Xian

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

3 Scopus citations

Abstract

Based on the microscopic phase-field theory, the calculation model of the first nearest neighbor effective interchange interaction potential (w₁) for DO₂₂ phase was deduced according to the formula for the relation of occupation probability and free energy by Khachaturyan. The temperature of phase transition and atomic concentration were required in this model. Then the first nearest neighbor effective interchange interaction potentials of Ni₃V-DO₂₂ phase were obtained. The inversion calculation of Ni₃V-DO₂₂ indicates that with the temperature or atomic concentration increasing, w₁ increases. If the w₁ changed with temperature and atomic concentration is put into microscopic phase-field equation, the dependence on temperature and atomic concentration is more obvious for the structure of the atomic temporal evolution.

Original language	English
Pages (from-to)	1970-1973
Number of pages	4
Journal	Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering
Volume	39
Issue number	11
State	Published - Nov 2010

Keywords

Atomic concentration
DO phase
Effective interchange interaction potential
Microscopic phase-field
Temperature

Cite this

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title = "Calculation model of effective interchange interaction potential of DO22 phase based on microscopic phase-field",

abstract = "Based on the microscopic phase-field theory, the calculation model of the first nearest neighbor effective interchange interaction potential (w1) for DO22 phase was deduced according to the formula for the relation of occupation probability and free energy by Khachaturyan. The temperature of phase transition and atomic concentration were required in this model. Then the first nearest neighbor effective interchange interaction potentials of Ni3V-DO22 phase were obtained. The inversion calculation of Ni3V-DO22 indicates that with the temperature or atomic concentration increasing, w1 increases. If the w1 changed with temperature and atomic concentration is put into microscopic phase-field equation, the dependence on temperature and atomic concentration is more obvious for the structure of the atomic temporal evolution.",

keywords = "Atomic concentration, DO phase, Effective interchange interaction potential, Microscopic phase-field, Temperature",

author = "Weiping Dong and Zheng Chen and Yongxin Wang and Cong Xu and Yanli Lu",

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language = "英语",

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journal = "Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering",

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TY - JOUR

T1 - Calculation model of effective interchange interaction potential of DO22 phase based on microscopic phase-field

AU - Dong, Weiping

AU - Chen, Zheng

AU - Wang, Yongxin

AU - Xu, Cong

AU - Lu, Yanli

PY - 2010/11

Y1 - 2010/11

N2 - Based on the microscopic phase-field theory, the calculation model of the first nearest neighbor effective interchange interaction potential (w1) for DO22 phase was deduced according to the formula for the relation of occupation probability and free energy by Khachaturyan. The temperature of phase transition and atomic concentration were required in this model. Then the first nearest neighbor effective interchange interaction potentials of Ni3V-DO22 phase were obtained. The inversion calculation of Ni3V-DO22 indicates that with the temperature or atomic concentration increasing, w1 increases. If the w1 changed with temperature and atomic concentration is put into microscopic phase-field equation, the dependence on temperature and atomic concentration is more obvious for the structure of the atomic temporal evolution.

AB - Based on the microscopic phase-field theory, the calculation model of the first nearest neighbor effective interchange interaction potential (w1) for DO22 phase was deduced according to the formula for the relation of occupation probability and free energy by Khachaturyan. The temperature of phase transition and atomic concentration were required in this model. Then the first nearest neighbor effective interchange interaction potentials of Ni3V-DO22 phase were obtained. The inversion calculation of Ni3V-DO22 indicates that with the temperature or atomic concentration increasing, w1 increases. If the w1 changed with temperature and atomic concentration is put into microscopic phase-field equation, the dependence on temperature and atomic concentration is more obvious for the structure of the atomic temporal evolution.

KW - Atomic concentration

KW - DO phase

KW - Effective interchange interaction potential

KW - Microscopic phase-field

KW - Temperature

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AN - SCOPUS:78650484715

SN - 1002-185X

VL - 39

SP - 1970

EP - 1973

JO - Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering

JF - Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering

IS - 11

ER -

Calculation model of effective interchange interaction potential of DO₂₂ phase based on microscopic phase-field

Abstract

Keywords

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