Pure-Shuffle Nucleation of Deformation Twins in Hexagonal-Close-Packed Metals

The propagation of deformation twins in hexagonal-close-packed metals is commonly described by a conventional glide-shuffle mechanism. The widely accepted convention is that this process is also responsible for twin nucleation, but lacks direct confirmation. Using atomistic simulations, we identify an unconventional pure-shuffle mechanism for the nucleation of ((1) over tilde 012) twins, which then grow through the conventional glide-shuffle mechanism entailing the glide of twinning disconnections. The pure-shuffle nucleation of twins at grain boundaries can be ascribed to a high-stress concentration and pre-existing grain boundary dislocations.