Calculation of Elastic Constants of Cubic Metals by Statistical Moment Method: Temperature Dependence

被引:4
|
作者
Van Hung, Vu [1 ]
Masuda-Jindo, Kinichi [2 ]
Hoa, Nguyen Thi [1 ]
机构
[1] Hanoi Natl Pedag Univ, Hanoi, Vietnam
[2] Tokyo Inst Technol, Dept Mat Sci & Engn, Midori Ku, Yokohama, Kanagawa 2268503, Japan
关键词
statistical moment method; elastic constant; anharmonicity effects; Cauchy relation; tight-binding method; density functional theory;
D O I
10.1143/JPSJ.77.104801
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The elastic properties of cubic metals have been studied using the analytic free energy formulas derived from the quantum statistical moment method (SMM). The three independent elastic constants C-11, C-12, and C-44 of cubic metals are calculated as a function of the temperature taking into account the anharmonicity of thermal lattice vibrations, and compared with the available experimental results. The particular attention has been paid to the understanding of the anharmonicity effects of thermal lattice vibrations on the elastic properties and thermodynamic crystalline stabilities of the metals in comparison with those by classical treatments of SMM.
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页数:11
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