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Influence of carbon on energetics, electronic structure, and mechanical properties of TiAl alloys

We present first-principles calculations of carbon-doped TiAl alloys. The effect of carbon on the structural, electronic, and elastic behavior of the γ phase ( L 1 _0 structure) of TiAl is investigated. The calculated enthalpy of formation at zero temperature indicates that carbon atoms favor to occ...

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Principais autores: Dominik Legut, Jürgen Spitaler, Pasquale Pavone, Claudia Draxl
格式: Artigo
語言:Inglês
出版: IOP Publishing 2021-01-01
叢編:New Journal of Physics
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在線閱讀:https://doi.org/10.1088/1367-2630/ac0c98
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