Density functional theory study of the α → ω martensitic transformation in titanium induced by hydrostatic pressure

• Published in: Condensed Matter Physics
• Date: 2013
• Main Authors: Jafari, M., Nobakhti, M., Jamnezhad, H., Bayati, K.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2013
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/120838
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Density functional theory study of the α → ω martensitic transformation in titanium induced by hydrostatic pressure / M. Jafari, M. Nobakhti, H. Jamnezhad, K. Bayat // Condensed Matter Physics. — 2013. — Т. 16, № 3. — С. 33703:1-6. — Бібліогр.: 31 назв. — англ.

The martensitic α → ω transition was investigated in Ti under hydrostatic pressure. The calculations were carried out using the density functional theory (DFT) framework in combination with the Birch-Murnaghan equation of state. The calculated ground-state properties of α and ω phases of Ti, their b...