Phase Stability and Elastic Properties of Ti-Mo-X (X=Ta,Nb,Zr) Alloys From First-principles Calculations

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

关键词： First-principles β phase stability elastic properties

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

作者单位: State Key Laboratory of Solidification Processing,Northwestern Polytechnical University,Xian,Shanxi Province,P. R.Chian,710072

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: 2176-2179

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）