Phase Stability and Elastic Constants in Ti-Ta Random Alloys From First-principles Calculations

被引：0
|
作者：
Lai, Minjie [1 ]
Xue, Xiangyi [1 ]
Tang, Bin [1 ]
Kou, Hongchao [1 ]
Li, Jinshan [1 ]
Zhou, Lian [1 ]
机构：
[1] Northwestern Polytech Univ, State Key Lab Solidificat Proc, Xian 710072, Peoples R China
来源：
TI-2011: PROCEEDINGS OF THE 12TH WORLD CONFERENCE ON TITANIUM, VOL III | 2012年
关键词：
Ti-Ta alloys; first-principles; phase stability; elastic constants; MECHANICAL-PROPERTIES; POTENTIAL MODEL; YOUNGS MODULUS; BEHAVIOR; ZR; BIOCOMPATIBILITY; APPROXIMATION; CONSTITUTION; ADDITIONS; ELEMENTS;
D O I：
暂无
中图分类号：
TF [冶金工业];
学科分类号：
0806 ;
摘要：
The relative phase stability of the alpha, omega, and beta phases of Til,Tar (0 < x <= 0. 4) random alloys as well as the single crystal elastic constants of the beta phase for 0. 25 <= x <= 0. 4 have been investigated using the first-principles exact muffin-tin orbitals method in combination with the coherent potential approximation. The calculated results suggest that Ta addition stabilizes the beta phase over the alpha and omega phases. The predicted critical Ta concentration above which a single phase is obtained agrees well with the experimental data. With increasing x, the C11, C12 and C44 elastic constants increase. The tetragonal shear modulus C' is also found to increase with x, reproducing well the experimental trends of the martensitic transformation start temperature M of Ti-Ta random alloys.
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收藏
页码：2130 / 2134
页数：5
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