An atomistic simulation study of the migration of an austenite–ferrite interface in pure Fe

Molecular dynamics (MD) simulations using an embedded atom method potential for pure Fe were performed to determine the atomic mechanisms taking place during the migration of a face-centered-cubic–body-centered-cubic (fcc–bcc) interface. A centro-symmetry parameter (CSP) has been utilized to discriminate between atoms of the fcc and bcc phases. It is shown from both simulation and disconnection theory that the primary structural disconnections …