Intrinsic mechanical and interfacial characteristics of precipitates contributing to the room and elevated temperature strength in Mg–Sn–Y alloys

Abstract The intrinsic mechanical and interfacial characteristics of precipitates in Mg–Sn–Y alloys were calculated to predict strengthening precipitates and to design novel Mg alloys. The first-principle calculations results indicated that the Sn3Y5 phase had a higher bulk and shear moduli than the Mg24Y5 and Mg2Sn phases. The Mg/Sn3Y5 interface was more stable and possessed a higher adhesive strength than the Mg/Mg2Sn and Mg/Mg24Y5 interfaces. Four as-cast alloys (S10Y3 (Mg-0.5Sn-0.16Y), S5Y3 (Mg-0.43Sn-0.25Y), S1Y1 (Mg-0.36Sn-0.37Y) and S3Y5 (Mg-0.27Sn-0.48Y) alloy (at.%)) were then designed according to the different Sn to Y atomic ratios (10:3, 5:3, 1:1 and 3:5). The lower Sn to Y atomic ratio promoted the formation of the Sn3Y5 phase in the S3Y5 alloy, whereas the S10Y3 alloy with a higher Sn to Y atomic ratio mainly consisted of the Mg2Sn phase. Compared with the S10Y3 alloy, the yield strength and ultimate tensile strength of the S3Y5 alloy were increased by 70% and 16% without sacrificing the elongation at room temperature, which was greatly improved by 127% and 104% at elevated temperatures simultaneously. These results suggested that the calculations of intrinsic mechanical and interfacial characteristics of precipitates may provide an effective tool to design high-strength Mg alloys.