Role of point defects in stress-induced martensite transformations in NiTi shape memory alloys: A molecular dynamics study

Shape-memory properties of equiatomic NiTi rely on the thermal- or stress-induced reversible martensitic phase transformation between the $\textit{B}$2 and $\textit{B}$19' phases. Irradiation defects suppress thermal-induced transformations, but their effects on stress-induced transformations a...

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Bibliographic Details
Published in:Physical review. B 2022-04, Vol.105 (14), Article 144108
Main Authors: Yang, Chao, Wharry, Janelle P.
Format: Article
Language:English
Subjects:
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
MATERIALS SCIENCE
Molecular dynamics
Point defects
Shape memory alloy
Stress-induced martensitic transformation
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Summary:Shape-memory properties of equiatomic NiTi rely on the thermal- or stress-induced reversible martensitic phase transformation between the $\textit{B}$2 and $\textit{B}$19' phases. Irradiation defects suppress thermal-induced transformations, but their effects on stress-induced transformations are poorly understood. In this work, we use molecular dynamics to investigate the effect of vacancies, vacancy clusters, interstitials, and antisite defects on stress-induced transformations. All defects suppress the transformation, but vacancy clusters do so to the greatest extent, while antisite defects do so to the least extent. The responsible mechanisms are grain boundary pinning and chemical disordering.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.105.144108