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Metals 2019, 9(2), 262; https://doi.org/10.3390/met9020262

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

College of Science, Beijing University of Chemical Technology, Beijing 100029, China
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Received: 23 January 2019 / Revised: 15 February 2019 / Accepted: 15 February 2019 / Published: 22 February 2019
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Abstract

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. View Full-Text
Keywords: first-principles calculation; mechanical properties; TiAl alloy first-principles calculation; mechanical properties; TiAl alloy
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Wang, J.; Lu, Y.; Shao, X. First-Principles Calculation for the Influence of C and O on the Mechanical Properties of γ-TiAl Alloy at High Temperature. Metals 2019, 9, 262.

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