Molecular dynamics study on the crack propagation in carbon doped polycrystalline boron-nitride nanosheets

In this paper, we carried out molecular dynamic (MD) simulations to study the crack growth and its effects on the mechanical properties of carbon doped polycrystalline boron-nitride nanosheets. We also quantified the influence of the grain and crack size on the mechanical responses. Therefore, models of polycrystalline carbon-doped h-BN with primary center crack are tested. In the models with bigger cracks, we observe a linear hardening until fracture occurs completely. Furthermore, the crack propagation speed during the fracture process is measured.

Automated summary

This paper used molecular dynamic simulations to study the effects of crack growth on the mechanical properties of carbon-doped polycrystalline boron-nitride nanosheets, finding a linear hardening with larger cracks leading to complete fracture, as well as measuring the crack propagation speed during the fracture process.