Crack-induced stress, dislocations and acoustic emission by 3-D atomistic simulations in bcc iron Original Research Article

We present results of three-dimensional (3-D) molecular dynamics (MD) simulations in body-centered cubic iron crystals with an embedded central through-crack image [1 1 0] of Griffith type. The crack loaded in mode I emits dislocations in inclined slip systems 〈1 1 1〉 {1 1 2} oriented in the anti-twinning direction. We calculate stress and local kinetic energies before and after dislocation emission on the atomistic level, and compare MD results with available continuum predictions to analyze shielding and acoustic emission caused by dislocation emission in three dimensions.