| Summary: | In order to study the strengthening effect of Mg–X (X = Zn, Ag) alloys, solid solution structures of Mg<sub>54</sub>, Mg<sub>53</sub>X<sub>1</sub> and Mg<sub>52</sub>X<sub>2</sub> (X = Zn, Ag) with atomic contents of 1.8 at.% and 3.7 at.% were established, respectively. The structural stability, tensile properties and electronic properties were investigated by first-principles simulation. The calculated results of cohesive energies show that all solid solution structures were stable under different tensile strains, and Mg<sub>52</sub>Ag<sub>2</sub> had the best stability. The results of tensile tests show that Zn and Ag atoms promoted the Mg-based alloy’s yield strength and tensile strength. In addition, through comparative analyses, we have demonstrated that the tensile property of Mg-based alloys was also affected by solid solubility. Finally, the electronic density of states (DOS) and electron density difference of several solid solution structures were analyzed.
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