Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys

In this work, we utilize atomistic simulations to calculate the generalized stacking fault energies (GSFEs), which are related to the dislocation glide process, on four types of slip planes – {110}, {112}, {123}, and {134} – in two refractory multi-principal element alloys (MPEAs): MoNbTi and NbTiZr. To serve as a reference material for MoNbTi, we develop, validate, and employ an A-atom interatomic potential, which is expected to represent the...