The dynamics of phase changes in molecular clusters

Abstract

The significant advantages offered by systems of molecular clusters in the study of homogeneous nucleation are discussed. Determinations of nucleation rates in clusters can be followed experimentally in supersonic jets or computationally in molecular dynamics simulations. Extraordinarily high rates may be encountered, both in freezing and in solid-state transitions. From such information can be inferred the interfacial free energies, σ sl and σ SS , mechanisms of solid-state transitions. and an explanation of why certain crystalline phases not found in bulk systems can be seen in large molecular clusters.