Development of n-body interatomic potentials for calculating the thermodynamic characteristics of V-Nb-Mo-W alloys

Abstract

New interatomic potentials for Mo and binary systems V-Nb, V-Mo, Nb-Mo, Nb-W and Mo-W are constructed taking into account the angular dependencies of interatomic interactions. Together with the potentials constructed earlier in the same approach, a complete set of potentials for modeling alloys of the V-Nb-Mo-W system at any component concentrations is obtained. A tendency to narrow the range of values of the calculated enthalpy of formation and the volume of formation in equiatomic alloys of the V-Nb-Mo-W system with an increase in the number of components was found