A comprehensive atomic-scale observation was conducted to elucidate the effect of neodymium (Nd) and yttrium (Y) additions on the tensile strength and creep properties of Mg–Zn alloys. An alloy model with systematically varied Zn (2,4,6 wt %) and Nd or Y (1,3,5 wt %) contents was developed, and atom-scale deformation was performed. Tensile results highlighted that only the addition of 1 wt % Nd or Y shows the highest strength in Mg–Zn alloys. As these two alloys showed similar tensile strengths around 3.9 GPa, in order to select the best alloy for long-time performance, creep simulations were conducted on Mg 97%-Zn 2%-Nd 1% and Mg 97%-Zn 2%-Y 1% varying temperatures (300, 350, 400, 450, and 500 K) and pressures (1, 3, 4, and 5 GPa). The melting temperature (Tm) for both 1% rare containing alloys was investigated by following radial distribution theory to establish physically relevant creep regimes, approximately 0.4Tm. Moreover, thermal expansion behavior was also measured to promote structural stability. Relevant results from the simulation represent that Mg 97%-Zn 2%-Y 1% alloy exhibited excellent creep resistance and extended time-to-failure under all of the given conditions. The addition of Y is more effective in enhancing creep resistance and structural integrity. This significant information offers valuable guidance for the design of lightweight magnesium alloys for high-temperature applications and motivates further experimental validation.
Islam et al. (2026) studied this question.