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

摘要：

The relative phase stability of the a. ω andβ phases of Ti1-x Tax(0 ＜ x≤0. 4) random alloys as well as the single crystal elastic constants of the β phase for 0. 25≤ x≤ 0. 4 have been investigated using the firstprinciples exact muffin-tin orbitals method in combination with the coherent potential approximation. The calculated results suggest that Ta addition stabilizes the β phase over the α and ω phases. The predicted critical Ta concentration above which a single β phase is obtained agrees well with the experimental data. With increasing x, the C11,C12,and C44 elastic con-stants 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.

关键词： Ti-Ta alloys first-principles phase stability elastic constants

作者: Minjie Lai Xiangyi Xue Bin Tang Hongchao Kou Jinshan Li Lian Zhou

作者单位: State key Laboratory of Solidification Processing,Northwestern Polytechnical University,Xian 710072,China

会议类型: 国际会议

会议名称: The 12th World Conference Titanium(第十二届世界钛会 Ti-2011)

会议地点: 北京

会议语种:英文

页码: 2130-2134

在线出版日期: 2011-06-19（万方平台首次上网日期，不代表论文的发表时间）