Second nearest-neighbor modified embedded-atom method interatomic potentials for the Ta-X (X = Co, Cr, Ni) binary and CoNiAlTiVTaCr chemically complex alloys

Interatomic potentials based on the second nearest-neighbor modified embedded-atom method (2NN-MEAM) were formulated for Ta-X (X = Co, Cr, Ni) binary alloy systems. The accuracy of the potentials was assessed by calculating the structural, thermodynamic and mechanical characteristics of both stable and metastable phases in Ta Co, Ta Cr, and Ta Ni binary systems. The simulation results demonstrated strong agreement with available experimental measurements and first-principles calculations. The results were further employed to develop a 2NN-MEAM potential for CoNiAlTiVTaCr chemically complex intermetallics, which provides a basis for future atomistic investigations of structural evolution and defect-related phenomena in these alloys.