Theoretical Calculations for Structural, Elastic and Thermodynamic Properties of γTiAl Under High Pressure |
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基金项目: | The project supported by National Natural Science Foundation of China under Grant Nos. 10376021 and 10274055 and the Research Fund for the Doctoral Program of High Education of China under Grant No. 20020610001 |
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摘 要: | We investigate the structural and elastic properties of γTiAl under high pressures using the norm-conserving pseudopotentials within the local density approximation (LDA) in the frame of density functional theory. The calculated pressure dependence of the elastic constants is in excellent agreement with the experimental results. The elastic constants and anisotropy as a function of applied pressure are presented. Through the quasi-harmonic Debye model, we also investigate the thermodynamic properties of γTiAl.
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关 键 词: | 弹性常数 Debye温度 弹性模量 薄膜粒径 薄膜物理学 |
Theoretical Calculations for Structural,Elastic and Thermodynamic Properties of γTiAl Under High Pressure |
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Authors: | FU Hong-Zhi LI De-Hua PENG Feng GAO Tao CHENG Xin-Lu |
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Institution: | [1]College of Physics and Electronic Information, Luoyang Normal College, Luoyang 471022, China [2]Institute of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610065, China [3]Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China |
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Abstract: | TiAl, elastic constants, Debye temperature, anisotropy |
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Keywords: | TiAl elastic constants Debye temperature anisotropy |
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