Three-dimensional molecular dynamics simulation of hydrogen-enhanced dislocation emission and crack propagation

A three-dimensional molecular dynamics simulation using the embedded atom method (EAM) potentials shows that for both pure Ni and Ni+H, dislocations are firstly emitted during loading and the crack propagates after enough disloca tions are emitted. In the case of hydrogen embrittlement, local plastic deformat ion is a precondition for crack propagation. For the crack along the (1 11) slip pla ne, one atom fraction in percent of hydrogen can decrease the critical stress in tensity for dislocation emission KIe from 0.42 to 0.36 MPam 1/2, and that for crack propagation KIp from 0.80 to 0.76 MPam1/2. Therefore, hydrogen enhances dislocation emission and crack pro pagation.