Abstract
Simulated growth of four global-minimum Lennard-Jones clusters of sizes N=561, 823, 850 and 923, representing multishell icosahedra and decahedron, always leads to formation of regular polyicosahedral clusters. Observation of cluster structure evolution revealed that new atoms form anti-Mackay islands spreading over the cluster surface by making strong island-island junctions at cluster edges. Analysis of potential energies of atoms composing different local structures shows that energy-driven preference for decahedral arrangement of several atoms initiating the junction of pentagonal symmetry on the cluster surface is responsible for kinetic effect in the cluster growth.
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