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Structural and elastic properties of γTiAl under high pressure
Fu Hongzhi 1 * #,Li Dehua 2,Peng Feng 1,Gao Tao 3,Cheng Xinlu 3
1.College of Physics and Electronic Information, Luoyang Normal College
2.Institute of Physics and Electronic Engineering,Sichuan Normal University
3.Institute of Atomic and Molecular Physics,Sichuan University
*Correspondence author
#Submitted by
Subject:
Funding: 国家自然科学基金,教育部博士点基金(No.10376021, 10274055,20020610001)
Opened online:18 February 2008
Accepted by: none
Citation: Fu Hongzhi,Li Dehua,Peng Feng .Structural and elastic properties of γTiAl under high pressure[OL]. [18 February 2008] http://en.paper.edu.cn/en_releasepaper/content/18709
 
 
We have investigated 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.
Keywords:A. TiAl; D. Elastic constants; D. Debye temperature; D. Anisotropy
 
 
 

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