Atomistic fracture: QFM vs. MD

In this work we discuss the paradigmatic case of brittle fracture in defective elastic–plastic cubic silicon carbide, by a combination of Quantized Fracture Mechanics and Molecular Dynamics atomistic simulations. Different defect sizes and shapes, or crack-inclusion interactions are considered. Our results show that Quantized Fracture Mechanics is able to effectively incorporate the main lattice-related features, while Molecular Dynamics atomistic simulations do provide the most basic level of understanding of mechanical behaviour of brittle materials.