Influencing the martensitic phase transformation in NiTi through point defects

Equiatomic nickel-titanium (NiTi) is investigated to determine the consequences of point defects on the Martensitic phase transformation. Using molecular dynamics simulations, NiTi with 0.1%, 0.5%, 1%, 2%, and 3% of Schottky-type defects (vacancies) have been modeled with the temperature of structur...

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Bibliographic Details
Published in:Journal of applied physics 2015-07, Vol.118 (1), p.14901
Main Authors: Mansouri Tehrani, A., Shahrokhshahi, H., Parvin, N., Brgoch, J.
Format: Article
Language:English
Subjects:
Applied physics
Computer simulation
Intermetallic compounds
Martensitic transformations
Molecular dynamics
Nickel titanides
Phase transitions
Point defects
Transformation temperature
Unit cell
Vacancies
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Summary:Equiatomic nickel-titanium (NiTi) is investigated to determine the consequences of point defects on the Martensitic phase transformation. Using molecular dynamics simulations, NiTi with 0.1%, 0.5%, 1%, 2%, and 3% of Schottky-type defects (vacancies) have been modeled with the temperature of structural transformation elucidated. Increasing the concentration of point defects leads to the transformation occurring at lower temperatures than the perfect structure while the final monoclinic unit cell angle (γ) substantially decreases. Modeling anti-site defects at the 0.1%, 0.5%, and 1% concentration level indicates the cubic to monoclinic structural transformation temperature decreases even faster with a more dramatic change in γ compared to the vacancy structure. The change in the Martensitic transformation stems from pinning due to the structural defects.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.4923474