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Under high pressures, phase transition, as well as deformation twins, areconstantly reported in many BCC metals, whose interactions are of fundamentalimportance to understand strengthen mechanism of these metals under extremeconditions. However, the interactions between twins and phase transition in BCCmetals are remain largely unexplored. In this work, interactions betweencoherent twin boundaries and $\alpha \to \epsilon$ phase transition of iron areinvestigated using both non- equilibrium molecular dynamics simulations andnudge elastic band method. Mechanisms of both twin-assisted phase transitionand reverse phase transition are studied and orientation relationships betweenBCC and HCP phase are found to be <11-1>BCC || <-12-10>HCP and <1-10>BCC ||<0001>HCP for both cases. The twin boundary corresponds to after the phasetransition. It is amazing that the reverse transition seems to be able to"memory" and recover the initial BCC twins. The memory would partly loss whenplastic slips take place in the HCP phase before the reverse transition. In therecovered initial BCC twins, three major twin spacing are observed, which arewell explained in terms of energy barriers of the transition from HCP phase toBCC twin. Besides, variant selection rule of the twin assisted phase transitionis also discussed. The results of present work could be expected to give someclues for producing ultra-fine grain structure in materials exhibitingmartensitic phase transition.

Interactions between Coherent Twin Boundaries and Phase Transition of Iron under Dynamic Loading and Unloading