Phase stability and elastic properties of Ti-Mo-X (X=Ta, Nb, Zr) alloys from first-principles calculations

Mi Gong, Minjie Lai, Bin Tang, Hongchao Kou, Jinshan Li, Lian Zhou

科研成果: 书/报告/会议事项章节会议稿件同行评审

摘要

The phase stability and elastic properties of Ti-Mo-X (X=Ta, Nb, Zr) alloys were investigated by the use of the first-principles method. Calculated cohesive energies suggest that Ta and Nb improve the phase stability of β phase, which shows an excellent agreement with experiment. In addition, the bulk, elastic and shear modulus, as well as tetragonal shear constant of Ti-Mo-Ta alloys were calculated by using the Voigt-Reuss-Hill averaging method. The results indicate that the lowest elastic modulus (68. 94GPa) is acquired when the Ta content is 18. 75 at. %. The effect of interactions between alloying atoms on elastic properties is briefly discussed.

源语言英语
主期刊名Ti 2011 - Proceedings of the 12th World Conference on Titanium
2176-2179
页数4
出版状态已出版 - 2012
活动12th World Conference on Titanium, Ti 2011 - Beijing, 中国
期限: 19 6月 201124 6月 2011

出版系列

姓名Ti 2011 - Proceedings of the 12th World Conference on Titanium
3

会议

会议12th World Conference on Titanium, Ti 2011
国家/地区中国
Beijing
时期19/06/1124/06/11

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