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structure and its pressure-induced phase transformations: Density functional theory study

✍ Scribed by Gracia, L.; Beltrán, A.; Errandonea, D.


Book ID
127100668
Publisher
The American Physical Society
Year
2009
Tongue
English
Weight
229 KB
Volume
80
Category
Article
ISSN
1098-0121

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We used density functional theory to characterize various crystalline phases of NiTi alloys: (i) high-temperature austenite phase B2; (ii) orthorhombic B19; (iii) the monoclinic martensite phase B19 0 ; and (iv) a body-centered orthorhombic phase (BCO), theoretically predicted to be the ground state