Brittle dynamic fracture of crystalline cubic silicon carbide (3C-SiC) via molecular dynamics simulation

Abstract

Brittle fracture dynamics for three low-index crack surfaces, i.e., (110), (111), and (100), in crystalline cubic silicon carbide (3C-SiC) is studied using molecular dynamics simulation. The results exhibit significant orientation dependence: (110) fracture propagates in a cleavage manner; (111) fracture involves slip in the {111¯} planes; and crack branching is observed in (001) fracture. Calculated critical energy release rates, which characterize fracture toughness, are compared with available experimental and ab initio calculation data.