Three-dimensional molecular dynamics simulations were made of body-centered cubic iron crystals with an embedded central through-crack (¯110)[110] of Griffith type. The crack loaded in mode-I emits dislocations in inclined slip systems <111>{112} oriented in the anti-twinning direction. Stress and local kinetic energies were calculated before and after dislocation emission on the atomistic level, and molecular dynamics results were compared with available continuum predictions to analyze shielding and acoustic emission caused by dislocation emission in three dimensions.

Crack-Induced Stress, Dislocations and Acoustic Emission by 3-D Atomistic Simulations in BCC Iron. A.Spielmannová, A.Machová, P.Hora: Acta Materialia, 2009, 57[14], 4065-73