It was noted that an interface has special features with regard to fracture because of its misfit dislocations. Here, ab initio-based interatomic potentials were used to study this phenomenon in a Pt/SiC(111) interface. The whole dynamic process was simulated at the atomistic scale. Micro-cracks and jump points were found in the fracture, which led to some interesting results.

Atomistic Investigations of Misfit Dislocation for Pt/SiC(111) Interface Fracture. Y.Wang, N.Chen: Modelling and Simulation in Materials Science and Engineering, 2010, 18[6], 065012