Atomic Simulation of Effect of Stacking Fault and Dislocation on Fracture Behavior in Fe Crystal
The defects in crystalline materials significantly affect the fracture behaviors. In this paper molecular dynamics (MD) model using a potential of embedded atom method (EAM) has been developed to investigate the effect of the major crystalline defects, stacking fault and edge dislocation, on the crack propagation in Fe crystal. Six cases with different locations of stacking fault and edge dislocation have been studied. The strain distribution in lattice aggregate was heterogeneous. The dislocations were observed slipping along directions  and [-100] on the plane (100). Simulation results showed that the location of the stacking fault and edge dislocation significantly influenced the crack propagation speed.
H.S. Lee, I.S. Yoon and M.H. Aliabadi
C. Lu et al., "Atomic Simulation of Effect of Stacking Fault and Dislocation on Fracture Behavior in Fe Crystal", Key Engineering Materials, Vols. 385-387, pp. 457-460, 2008