Experimental and theoretical investigation on refining mechanism of Mg2Si by Y addition in the Mg-Al-Si alloys

Aiming at development of new lightweight and high-strength magnesium alloys, a combined experimental and theoretical study on refining mechanism of Mg2Si by Y addition in the Mg-Al-Si alloys was performed. Two alloys, Mg63.32Al22.83Si13.85 and Mg62.56Al22.55Si14.36Y0.52 (wt.%), were prepared and investigated by combining experimental characterization with quantum-mechanical and CALPHAD calculations. The experimental results indicated that Y can refine the Mg2Si phase in Mg-Al-Si alloys but it is rather sensitive to the preparation procedure of the alloys. It was observed that Al4MgY is surrounded by Mg2Si in the as-cast alloys with Y, but it undergoes separation after homogenization annealing. First-principles calculations revealed that the mechanism of Y refining the Mg2Si phase is direct adsorption on the Mg2Si surface rather than indirect adsorption in the form of the elements atomic substitution or entering the center interstitial sites of Mg2Si. The significant refinement of the Mg2Si phase after annealing is attributed to recrystallization within the grains, eliminating the original grain boundaries, and the surface activity is reduced with Y adsorption, resulting in the formation of new and smaller Mg2Si phases. The mechanism behind the Al4MgY phase being surrounded by Mg2Si in the as-cast state but subsequent separation after homogenization annealing is not heterogeneous nucleation, but maybe due to liquid entrapment.