Angular-dependent interatomic potential for large-scale simulation of bcc and hcp multi-component refractory alloys
This work is devoted to the development and comprehensive validation of a new interatomic potential for bcc and hcp refractory alloys based on the Wsingle bondMosingle bondNbsingle bondTasingle bondZrsingle bondTi system. The presented model allows the simulation of various structural transformations, as well as the behavior of crystal defects in several of the phases observed in this system. The
