Multi scale simulation of crack propagation in polycrystalline SiC

Silicon carbide (SiC) is considered one of the most promising emerging materials in the fields of refractory materials and semiconductors. In this paper, a multi-scale numerical simulation method is proposed to investigate crack propagation in SiC at different scales, using a combination of cohesive zone model and molecular dynamics (MD). The microstructure of the material is represented by Voronoi subdivision, and bilinear treatment is applied at the grain boundaries. Firstly, MD models with different microscopic defects were established to obtain the corresponding traction separation curves. Then, the element parameters, obtained by fitting the traction separation law, were inserted into the cohesive elements located at the grain boundary and within the grain. Finally, the finite element models were simulated by the failure criterion. The fracture toughness of the material is predicted, and the influence of microscopic defects and grain distribution on macroscopic fracture toughness is explored. The results indicate that the grain distribution and the type of micro defect have an impact on the crack growth path and macro fracture toughness. The simulation results are consistent with published experimental results, which demonstrates the viability of employing this multi-scale analysis method for examining and replicating the micro-, meso-, and macro-scale crack propagation characteristics of SiC.