Formation of an icosahedral structure during crystallization of nickel nanoclusters

The crystallization of nickel nanoclusters is investigated using a molecular dynamics simulation with tight-binding potentials. The formation of a cluster structure depends on the cooling conditions. Slow cooling results in the formation of a face-centered cubic structure, whereas fast cooling, according to the data obtained in 40% of the simulation experiments, leads to the formation of an icosahedral structure. The molecular dynamics simulation experiments demonstrate the possibility of controlling the formation of a structure of nickel nanoclusters during crystallization.

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