Transonic twins in 3D bcc iron crystal

In this paper we verify previous 2D (plane strain) predictions on transonic twinning by means of new free 3D atomistic simulations by molecular dynamic (MD) technique and via analyses of acoustic emission sources in bcc iron crystal with an embedded central through crack (0 0 1)[1 1 0] loaded in mode I. MD simulations in 3D are completed by stress calculations on the atomistic and continuum level to analyze shielding or anti-shielding effect caused by the twins.