Three-dimensional molecular dynamics methods, involving the embedded atom method potential, were used to simulate the effect of a stress corrosion-induced de-alloyed layer, upon the surface of a crack in Cu2Au, upon dislocation emission and crack propagation. The simulations showed that the existence of a de-alloyed layer enhanced dislocation emission and crack propagation. That is, it decreased the critical stress intensity for dislocation emission from KIe = 0.62MPam1/2 to KIe* = 0.556MPam1/2 and that for crack propagation after emitting large amounts of dislocations, from KIP = 1.14MPam1/2 to KIP* = 1.06MPam1/2. This indicated that a de-alloyed layer-induced tensile stress could aid the applied stress to enhance dislocation emission and crack extension.

Molecular Dynamics Simulation of De-Alloyed Layer-Enhanced Dislocation Emission and Crack Propagation. Q.K.Li, Y.Zhang, S.Q.Shi, W.Y.Chu: Materials Letters, 2002, 56[6], 927-32