Influence of Mg Doping on the Structure and Mechanical Properties of Al2Cu Precipitated Phase by First-Principles Calculations
Jiyi Li,
Yan Huang,
Xuan Zhang
et al.
Abstract:Al-Cu-Mg high-strength alloys are widely used in industrial production because of their excellent mechanical performance and good machining properties. In this study, first-principles calculations based on density functional theory were carried out to investigate the influence of Mg doping on the structural stability and mechanical properties of the Al2Cu (θ) precipitated phase in Al-Cu-Mg alloys. The results show that the structural stability, electronic structure, bulk modulus, mechanical anisotropy, and the… Show more
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