Electronic origin of the anomalous solid solution hardening of Y and Gd in Mg: A first-principles study

Abstract

Y and Gd demonstrate anomalous solid solution hardening efficiency, which cannot be understood using the elastic impurity-dislocation interaction theory. We performed first-principles calculations to investigate the effect of different alloying elements such as Al, Zn, Y, and Gd on the chemical bonding of Mg solid solutions. The present calculations clearly show that the anomalous solid solution hardening of Y and Gd in Mg may be understood based on the increased bonding strength of both Mg-Y (Gd) and Mg-Mg.