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Energy Landscape of Displacive Phase Transition of β to ω in Ti-V alloys

Published online by Cambridge University Press:  27 February 2017

Wei Mei  and
Jian Sun
Wei Mei
Affiliation:
Shanghai Key Laboratory of Advanced High-Temperature Materials and Precision Forming, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai 200240, People’s Republic of China.
Jian Sun*
Affiliation:
Shanghai Key Laboratory of Advanced High-Temperature Materials and Precision Forming, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai 200240, People’s Republic of China.
*
*Corresponding author: jsun@sjtu.edu.cn.
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Abstract

The ground state properties of pure Ti with α, β and ω structures and of the binary Ti-xV(x=5‒30) at.% alloys with β and ω structures were calculated by first-principles method based on density functional theory, and subsequently the energy landscape of the displacive phase transition of β to ω were determined. The calculated results show that the energy barrier appears for the displacive phase transition of β to ω in Ti-(15‒30) at.% V alloys at 300 K, but does not at 0 K. The energy barriers increase monotonously with increase of the temperature and the V content. These results can explain the formation of athermal ω phase and shear-assisted β to ω transition observed in as-quenched Ti-V base alloys.

Keywords

Tialloyphase transformation
Type
Articles
Information
MRS Advances , Volume 2 , Issue 27: Mechanical Behavior and Failure Mechanisms of Materials , 2017 , pp. 1449 - 1454
Copyright
Copyright © Materials Research Society 2017 

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References

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