Using classical molecular dynamics simulations, the growth of {111} Cu on Nb {110} surfaces was investigated. The results revealed that the deposited Cu layer initially grew as body-centred cubic, and Vernier misfits were observed at the interface of body-centred cubic Cu and body-centred cubic Nb. As it continued to grow, the body-centred cubic Cu {110} transformed into face-centred cubic Cu {111}. The phase transition began when the body-centred cubic Cu layer had attained about 3 monolayers and finished at a point which depended upon the deposition parameters. Nuclei of face-centred cubic Cu {111} formed in the top surface of Cu and grew in-plane and towards the interface. Partial dislocations in the face-centred cubic Cu layer nucleated during the late stages of the transition, and the stacking faults grew as the Cu layer thickened.

Phase Transition and Dislocation Nucleation in Cu–Nb Layered Composites During Physical Vapor Deposition. J.Wang, R.G.Hoagland, A.Misra: Journal of Materials Research, 2008, 23[4], 1009-14