Molecular dynamics simulation of crack growth in mono-crystal nickel with voids and inclusions

Abstract: In this study, the crack propagation of the pre-cracked mono-crystal nickel with the voids and inclusions has been investigated by molecular dynamics simulations. Different sizes of voids, inclusions and materials of inclusions are used to fully study the effect of the voids and inclusions during the crack propagation process. The dislocations evolution, stress distribution and crack length are analyzed as the associated mechanical properties. The results indicate that the voids and inclusions can change the path of crack propagation of the pre-cracked mono-crystal nickel. Moreover, the results show that the voids and inclusions can lead a better resistance to plastic deformation of the mono-crystal and the inclusions can make the system more difficult to fracture.