期刊
METALS
卷 9, 期 2, 页码 -出版社
MDPI
DOI: 10.3390/met9020262
关键词
first-principles calculation; mechanical properties; TiAl alloy
资金
- National Natural Science Foundation of China [11604008]
- BUCT Fund for Disciplines Construction [XK1702]
The elastic constants of temperature dependence, thermal expansion coefficient and phonon dispersion relations of gamma-TiAl doped with C/O have been investigated using first-principles calculations in order to gain insight into the mechanical performance of gamma-TiAl in cases of high temperature. This study shows that gamma-TiAl maintains stability at high temperatures introduced by C or O atoms. Importantly, the hardness increases and retains excellent resistance to external pressure. The results indicate that even if the TiAl alloy is doped with C or O atoms, it can also exhibit excellent mechanical properties at a high temperature.
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