Martensitic transformation during coalescence of Fe-Ni nanoparticles. Atomistic simulation

Martensitic transformation during coalescence of two Fe-20 at.% Ni nanoparticles of size d ∼3-7 nm has been studied using molecular dynamics. Orientation relationship analysis showed that Kurdyumov-Sachs orientation relationship was observed between the initial γ-phase and the final α phase (at T=0 K) for all of the studied cases of misorientation. A significant change in the type of contact boundaries between the two nanoparticles was obtained after the completion of the martensitic transformation, which was caused by a change in the indices of the misorientation axis of the particles and in the number of symmetry elements for it.