Molecular dynamics simulation of crack propagation behaviors at the Ni/Ni3Al grain boundary

摘要: The primary purpose of this paper is to study intergranular and transgranular crack propagation behavior at the grain boundary (GB) Ni/Ni3Al by Molecular Dynamics (MD) simulation. Cracks are loaded in tension mode I. stress–strain curves, changes dislocation network, speeds interfacial energy compared with those two models. results show that yield stress model greater than model. It found does not extend along GB, but extends into γ′ phase. In addition, an angle 45° moves on slip system {11} [01]. breaks completely under a small strain. Moreover, tranagranular from deformation damage model, its mechanism shear rupture plane. initiates most dense position bands.