Molecular Dynamics Calculations of Microcluster Propertes
نویسندگان
چکیده
-The structural and thermodynamic properties of microclusters in two and three dimensions have been investigated by means of the molecular dynamics technique. This technique in principle produces the atomic configuration of lowest free energy for any given cluster size. The caloric equation of state for the different microclusters were calculated using a truncated Lennard-Jones pair potential. The nature of the melting transition was investigated and a number of properties, such as melting temperature, latent heat of melting, and premelting phenomena, were found to vary with cluster size, as well as with the structure of the solid phase.
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