ω-phase transformation in Ti3Al2Mo alloy: A first-principles approach

M. Sanati, R. C. Albers

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The co-phase appears as a metastable phase in several binary, ternary, and multicomponent alloys. While formation of this phase is studied extensively in Ti-Al-Nb and Ti-Al-V systems, it has not been investigated so widely in Ti-Al-Mo alloys. The aim of the present investigation is to study the displacive B2 to co transformations in Ti3Al2Mo system by using first-principles calculations. We find that that atomic shuffles required for the transformation in Ti3Al2Mo are about half of the Ti3Al2Nb alloy. We calculate heat of formation for several compounds to understand the bonding and hybridization between the atoms and the reason behind the differences between these to systems. It is found that Ti-Nb bond is weaker than Ti-Mo while Nb-Al is much stronger than Mo-Al. The stability of B2 phase against ω-type atomic displacement is a competition between these bonds. Also by extending our calculations to finite temperature, we show that the addition of Mo will extend the ω-phase stability to higher temperature compared to Ti3Al2Nb system.

Original languageEnglish
Title of host publicationProceedings of the International Conference on Martensitic Transformations, ICOMAT-08
Pages429-433
Number of pages5
StatePublished - 2009
Event12th International Conference on Martensitic Transformations, ICOMAT-08 - Santa Fe, NM, United States
Duration: Jun 29 2008Jul 5 2008

Publication series

NameProceedings of the International Conference on Martensitic Transformations, ICOMAT-08

Conference

Conference12th International Conference on Martensitic Transformations, ICOMAT-08
CountryUnited States
CitySanta Fe, NM
Period06/29/0807/5/08

Keywords

  • Al
  • First-principles
  • Free energy
  • Mo
  • Nb
  • Phase transformation
  • Ti
  • Ω phase

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