In this study, equilibrium lattice parameters, heat of formation and cohesive energy of four kinds of typical phases with different structure intermetallic compound in Al-Cu-Mg alloy were investigated by first-principles calculations based on density functional theory via CASTEP software. The calculation results are analyzed and show that ternary strengthening phase Al2CuMg generated first when Mg content is higher, while binary strengthening phase Al2Cu or Al3Cu2 first generated and more stable when Mg content is low in Al-Cu-Mg alloy which indicates that element Cu and Al alloying capacity significantly higher than that of Mg and Al element.
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