Calculation Model of Effective Interchange Interaction Potential of DO22 Phase Based on Microscopic Phase-Field

被引：0

作者：

Dong Weiping ^{[1
]}

Chen Zheng ^{[1
]}

Wang Yongxin ^{[1
]}

Xu Cong ^{[1
]}

Lu Yanli ^{[1
]}

机构：

[1] Northwestern Polytech Univ, Sch Mat Sci & Engn, State Key Lab Solidificat Proc, Xian 710072, Peoples R China

来源：

RARE METAL MATERIALS AND ENGINEERING | 2010年 / 39卷 / 11期

关键词：

effective interchange interaction potential; microscopic phase-field; DO22; phase; temperature; atomic concentration; INTERATOMIC POTENTIALS; INVERSION;

D O I：

暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Based on the microscopic phase-field theory, the calculation model of the first nearest neighbor effective interchange interaction potential (w(1)) 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, w(1) increases. If the w(1) 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.

引用

页码：1970 / 1973

页数：4

共 14 条

[1] CHEPULSKII RV, 2005, PHYS REV B, V72, P134
[2] A modified embedded-atom method interatomic potential for indium
Do, Eun Cheol
Shin, Young-Han
Lee, Byeong-Joo
[J]. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2008, 32 (01): : 82 - 88
[3] Modified analytic EAM potentials for the binary immiscible alloy systems
Fang, F
Shu, XL
Deng, HQ
Hu, WY
Zhu, M
[J]. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2003, 355 (1-2): : 357 - 367
[4] KHACHATURYAN AG, 1983, THEORY STRUCTURAL TR, P129
[5] A semi-empirical interatomic potential for the Cu-Ti binary system
Kim, Young-Min
Lee, Byeong-Joo
[J]. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2007, 449 : 733 - 736
[6] Interatomic potentials of the binary transition metal systems and some applications in materials physics
Li, J. H.
Dai, X. D.
Liang, S. H.
Tai, K. P.
Kong, Y.
Liu, B. X.
[J]. PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 2008, 455 (1-3): : 1 - 134
[7] Interatomic potentials consistent with thermodynamics: The Fe-Cu system
Pasianot, R. C.
Malerba, L.
[J]. JOURNAL OF NUCLEAR MATERIALS, 2007, 360 (02) : 118 - 127
[8] Study of effective pair potentials in cubic metals
Pirog, IV
Nedoseikina, TI
[J]. PHYSICA B-CONDENSED MATTER, 2003, 334 (1-2) : 123 - 129
[9] Computer simulation of atomic ordering and compositional clustering in the pseudobinary Ni3Al-Ni3V system
Poduri, R
Chen, LQ
[J]. ACTA MATERIALIA, 1998, 46 (05) : 1719 - 1729
[10] Interatomic potentials and dislocation simulation for the ternary B2 Ni-35Al-12Fe alloy
Vailhe, C
Farkas, D
[J]. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 1998, 258 (1-2): : 26 - 31

← 1 2 →