Mechanism for the {\alpha} -> {\epsilon} phase transition in iron

Abstract

The mechanism of the {\alpha}-{\epsilon} transition in iron is reconsidered. A path in the Burgers description of the bcc/hcp transition different from those previously considered is proposed. It relies on the assumption that shear and shuffle are decoupled and requires some peculiar magnetic order, different from that of {\alpha} and {\epsilon} phases as found in Density-Functional Theory. Finally, we put forward an original mechanism for this transition, based on successive shuffle motion of layers, which is akin to a nucleation-propagation process rather than to some uniform motion.