Atomistic Modeling of Stacking Faults in Cementite. Planes Containing Vector [001]

Abstract

The γ-surfaces in planes (110), (120), (210), (130), and (310) containing Burgers vector [001] of a perfect dislocation in cementite were studied using the molecular dynamics method. Slip vectors corresponding to stable stacking faults (SFs) were identified, and the energy of these SFs was determined. The energy of unstable stacking faults characterizing the tendency towards plastic relaxation was estimated. It was found that local minima with low energies of both stable and unstable stacking faults are present in plane (210) of cementite. This implies the possibility of the formation of extended SFs. The possibility of splitting of a perfect dislocation with Burgers vector [001] into two partial dislocations was demonstrated.