New mechanism for the α to ω martensitic transformation in pure titanium -: art. no. 025701

We propose a new direct mechanism for the pressure driven alpha-->omega martensitic transformation in pure titanium. A systematic algorithm enumerates all possible pathways whose energy barriers are evaluated. A new, homogeneous pathway emerges with a barrier at least 4 times lower than other pathways. The pathway is shown to be favorable in any nucleation model.