Shock-induced structural phase transition, plasticity, and brittle cracks in aluminum nitride ceramic - art. no. 065502

Atomistic mechanisms of fracture accompanying structural phase transformation (SPT) in AlN ceramic under hypervelocity impact are investigated using a 209x10(6) atom molecular-dynamics simulation. The shock wave generated by the impact splits into an elastic wave and a slower SPT wave that transforms the wurtzite structure into the rocksalt phase. The interaction between the reflected elastic wave and the SPT wave front generates nanovoids and dislocations into the wurtzite phase. Nanovoids coalesce into mode I cracks while dislocations give rise to kink bands and mode II cracking.