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Instability of cuboctahedral copper clusters Export

Phys. Rev. B, Vol. 45 (April 1992), pp. 9459-9462.

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Equilibrium structures of copper clusters up to 10 000 atoms are studied using molecular-dynamics and effective-medium theory. Icosahedral closed-shell clusters are most stable up to ~2500 atoms and the Wulff polyhedra are favored for larger clusters. Cuboctahedral closed-shell clusters up to ~2000 atoms are unstable. They undergo a nondiffusive transition to an icosahedral structure at low temperatures and melt directly above the fcc-cluster-melting temperature. The melting temperature decreases with decreasing cluster size but not as deeply as has been reported for pure metals.


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