Abstract
Icosahedral models of magic number silver clusters have been constructed using molecular dynamics simulations with the Doyama-Kogure potential. We have calculated the energy, heat capacity, entropy, Gibbs energy change, and excess surface energy as functions of cluster size and temperature. The vibrational contributions to the heat capacity and entropy are weak functions of cluster size (N), and the statistical degeneracy is lifted starting at 250–300 K. The surface energy density of the silver clusters is size-independent down to N = 13. The saturated vapor pressure over the clusters has been estimated. The calculated thermodynamic properties of fcc silver agree well with standard thermodynamic data.
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