The development of some large-scale non-equilibrium molecular dynamics computer simulations of fracture was described. It was found that dynamic crack propagation led to an energy build-up which generated instabilities such as dislocation emission and branching. Three-dimensional simulations had shed light on ductile fracture mechanisms; including sequences of dislocation emission in various modes that were markedly different to anything previously reported.

Fracture Simulations via Large-Scale Non-Equilibrium Molecular Dynamics. B.L.Holian, P.S.Lomdahl, S.Zhou: Physica A, 1997, 240[1-2], 340-8