Low-energy, Mobile Grain Boundaries in Magnesium

The strong basal texture that is commonly developed during the rolling of magnesium alloy and can even increase during annealing motivates atomic-level study of dislocation structures of both <0001> tilt and twist grain boundaries (GBs) in Magnesium. Both symmetrical tilt and twist GBs over the entire range of rotation angles θ between 0° and 60° are found to have an ordered atomic structure and can be described with grain boundary dislocation models. In particular, 30° tilt and twist GBs are corresponding to energy minima. The 30° tilt GB is characterized with an array of Shockley partial dislocations bp:- bp on every basal plane and the 30° twist GB is characterized with a stacking faulted structure. More interesting, molecular dynamics simulations explored that both 30° tilt and twist GBs are highly mobile associated with collective glide of Shockley partial dislocations. This could be responsible for the formation of the strong basal texture and a significant number of 30° misorientation GBs in Mg alloy during grain growth.