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Martensitic transformation from β to α′ and α″ phases in Ti–V alloys: A first-principles study

Published online by Cambridge University Press:  07 August 2017

Wei Mei ,
Jian Sun  and
Yufeng Wen
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
Yufeng Wen
Affiliation:
School of Mathematical Sciences & Physics, Jinggangshan University, Jiangxi Province 343009, People’s Republic of China
*
a) Address all correspondence to this author. e-mail: jsun@sjtu.edu.cn
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Abstract

The ground state properties of the α′ and α″ martensitic phases and energetic pathways of the β → α′/α″ martensitic transformations in Ti–(0–30 at.%)V alloys were investigated by first-principles method in combination with virtual crystal approximation. The results show that lattice parameters with c/a of the α′ phase and lattice parameters with b/a, c/a of the α″ phase are significantly sensitive to composition, and the atomic shuffle y of the α″ phase decreases from that of the α′ phase toward that of the β phase with increasing V content in Ti–V alloys. The compositional α′/α″ phase boundary is about 10 at.% V, from the viewpoints of energetics and mechanical stability of these phases. The principal lattice strains of the β → α′ transformation are insensitive to the V content, while those of the β → α″ transformation change significantly with increasing V content. The volume variation for β → α′ increases, whereas that for β → α″ decreases with increasing V content in Ti–V alloys. The energetic pathway results show that the relative stability of the α′ and α″ phases decrease with increasing V content and temperature and that there is no energy barriers during the β → α′/α″ martensitic transformations at temperatures from 0 to 400 K.

Keywords

elastic propertiesphase transformationTi
Type
Articles
Information
Journal of Materials Research , Volume 32 , Issue 16 , 28 August 2017 , pp. 3183 - 3190
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Copyright
Copyright © Materials Research Society 2017 

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Footnotes

Contributing Editor: Susan B. Sinnott

References

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