Effects of Ta content on the phase stability and elastic properties of β Ti-Ta alloys from first-principles calculations

被引：29

作者：

Wu, C. Y. ^{[1
]}

Xin, Y. H. ^{[1
]}

Wang, X. F. ^{[1
]}

Lin, J. G. ^{[1
]}

机构：

[1] Xiangtan Univ, Minist Educ, Key Lab Low Dimens Mat & Applicat Technol, Fac Mat & Opt Elect Phys, Xiangtan 411105, Peoples R China

来源：

SOLID STATE SCIENCES | 2010年 / 12卷 / 12期

基金：

中国国家自然科学基金;

关键词：

Ti-Ta alloys; Elastic constants; Elastic modulus; First principles; TITANIUM-ALLOYS; DESIGN;

D O I：

10.1016/j.solidstatesciences.2010.09.009

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The effects of Ta content on the phase stability the elastic property and the electronic structure of beta type Ti-Ta alloys were studied from first-principles calculations based on the density functional theory It is found that the phase stability tetragonal shear constant C' bulk modulus elastic modulus and shear modulus of beta type Ti-Ta alloys Increase with the Ta content increasing monotonously The lowest elastic modulus of the alloys is realized when the valence electron number (e/a) is around 4 25 Moreover the phase stability of the alloys was discussed based on the calculated density of state (DOS) (C) 2010 Elsevier Masson SAS All rights reserved

引用

页码：2120 / 2124

页数：5

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