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The morphology transition from the thermodynamically favorable to theunfavorable phase during growth of free-standing copper nanoclusters is studiedby molecular dynamics simulations. We give a detailed description of thekinetics and thermodynamics of the process. A universal mechanism of asolid-solid transition, from icosahedral to decahedral morphology innanoclusters, is proposed. We show that a formation of distorted NC during thegrowth process with islands of incoming atoms localized in certain parts of thegrown particle may shift the energy balance between Ih and Dh phases in favourof the latter leading to the morphology transition deep within thethermodynamic stability field of the former. The role of diffusion in themorphology transition is revealed. In particular, it is shown that fastdiffusion should suppress the morphology transition and favour homogeneousgrowth of the nanoclusters.

The morphology transition mechanism from icosahedral to decahedral phase during growth of nanoclusters