Second-nearest-neighbor modified embedded-atom method interatomic potential for V-M (M = Cu, Mo, Ti) binary systems

Abstract

Interatomic potentials for V-M (M = Cu, Mo, Ti) binary systems have been developed within the framework of the second-nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials reproduce a wide range of fundamental material properties such as thermodynamic and structural properties of compound and solution phases in reasonable agreement with experimental data or CALPHAD and first-principles calculations. The reasonable reproduction of material properties implies that the potentials can be combined with those of V-H and M-H systems for a permeability study of hydrogen in vanadium alloys or can be extended for further development of V-containing ternary system potentials.