Site preference and elastic properties of ternary alloying additions in B2 YAg alloys by first-principles calculations

First-principles calculations were preformed to study the site preference behavior and elastic properties of 3d (Ti-Cu) transition-metal elements in B2 ductility YAg alloy. In YAg, Ti is found to occupy the Y sublattice whereas V, Cr, Co, Fe, Ni and Cu tend to substitute for Ag sublattice. Due to the addition of 3d transition metals, the lattice parameters of YAg is decreased in the order: V