Melting and freezing of small argon clusters

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Abstract
An investigation of melting, freezing, and coexistence phenomena is presented for small clusters using Ar7, Ar8, Ar13, and Ar14 as specific representative examples. Combining the results of molecular dynamics simulations, especially short‐time kinetic energy averages and quenching, with accurate calculations of the local minima and transition states illuminates the relationship between the potential energy surface and dynamical processes. The results are consistent with a recent general defect theory of melting.