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

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

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.

Original languageEnglish
Title of host publicationTi 2011 - Proceedings of the 12th World Conference on Titanium
Pages2176-2179
Number of pages4
StatePublished - 2012
Event12th World Conference on Titanium, Ti 2011 - Beijing, China
Duration: 19 Jun 201124 Jun 2011

Publication series

NameTi 2011 - Proceedings of the 12th World Conference on Titanium
Volume3

Conference

Conference12th World Conference on Titanium, Ti 2011
Country/TerritoryChina
CityBeijing
Period19/06/1124/06/11

Keywords

  • β Phase stability
  • Elastic properties
  • First-principles

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