The N-body interatomic potential for molecular dynamics simulations of diffusion in tungsten

Angular-dependent interatomic potential for large-scale atomistic simulation of W-Mo-Nb ternary alloys

“…Thus, in light of these limitations, there is a strong incentive to develop more reliable classical interatomic potentials for refractory CCAs that can be used for quantitative simulations of pure metals as well as alloys with varying compositions. Although several reliable classical potentials have recently emerged for elemental refractory metals [29,30,31,32,33,34,35] and even binary alloys [36,37,38,39], the development of classical models for ternary alloys remains a highly challenging task.…”