Molecular dynamics simulations were performed to investigate the interaction between 60° shuffle dislocation and tetra-interstitial (I4) cluster in silicon, using Stillinger–Weber potential to calculate the interatomic forces. Based on Parrinello–Rahman method, shear stress was exerted on the model to move the dislocation. Simulation results showed that the I4 cluster could bend the dislocation line and delay the dislocation movement. During the course of intersection the dislocation line sections relatively far away from the I4 cluster accelerate first, and then decelerate. The critical shear stress unpinning the 60° dislocation from the I4 cluster decreased as the temperature increased in the models.

Molecular Dynamics Simulations of the Interaction between 60° Dislocation and Self-Interstitial Cluster in Silicon. Y.Jing, Q.Meng, W.Zhao: Physica B, 2009, 404[16], 2138-41