Electronic Approach to the Prediction for the Mechanical Properties of Zinc Alloys

A quantitative method for predicting the mechanical properties of zinc alloys is proposed on the basis of the molecular orbital calculation of electronic structures. A new parameter which is the s-orbital energy level, Mk , of alloying elements in zinc was introduced into this method. This Mk parameter correlates with the electronegativity and the atomic radius of elements. The compositional average of this parameter varied linearly with the tensile strength and the hardness of commercial alloys and some alloys developed by Mitsui. This electronic method was very convenient in designing high performance zinc alloys efficiently.