Abstract
Abstract The evolution and properties of Hard-Core Square-Well (HCSW) clusters formed spontaneously in a dilute, two-dimensional system are studied by means of Molecular Dynamics (MD). As the temperature is lowered, a vapor-liquid phase transition takes place. In contrast to the region above the phase transition, where the cluster distribution has a single, monomer maximum, in the phase transition region a bimodal distribution of clusters is observed. The two maxima correspond to the sub- and supercritical sizes of clusters. This is a direct confirmation of the existence of the critical cluster or “bottleneck” to the vapor-liquid transition. Cluster energies (translational, rotational, vibrational, total kinetic and potential) are calculated. Energies of Brownian motion (both translational and rotational) performed by an evolving cluster are found to be consistent with the theoretical predictions. An observed anomalously low dimer kinetic energy is explained by a statistical mechanical argument. The free ...
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