First-Principles Calculation for the Influence of C and O on the Mechanical Properties of γ-TiAl Alloy at High Temperature

Metals

Xiaohong Shao¹  Yong Lu¹  Jiahua Wang¹ 

[1] College of Science, Beijing University of Chemical Technology, Beijing 100029, China;

关键词: first-principles calculation;    mechanical properties;    TiAl alloy;   

DOI  :  10.3390/met9020262

来源: DOAJ

【 摘 要 】

The elastic constants of temperature dependence, thermal expansion coefficient and phonon dispersion relations of γ-TiAl doped with C/O have been investigated using first-principles calculations in order to gain insight into the mechanical performance of γ-TiAl in cases of high temperature. This study shows that γ-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.

【 授权许可】

Unknown