Abstract
The melting properties of Ben, n=7−14, clusters have been studied using molecular dynamics simulations and an interatomic potential which contains two- and three-body terms, derived from local spin density calculations. The cluster meltinglike behavior has been studied calculating characteristic physical quantities like short-time averages of the kinetic energy per particle as a function of time, caloric curves and root-mean-square bond length fluctuations as a function of the cluster total energy. The meltinglike transition in Ben clusters shows more complex features than those found in van der Waals and ionic clusters. The estimated melting temperatures for n=11−14 are higher than the bulk value. This result indicates that the parameters of the cluster interaction potential could be inadequate to describe the thermodynamic properties of Ben clusters.
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