Molecular Dynamics Simulation for the (Magic Number) Size Effect in Nucleation and Evaporation of Clusters

Cluster formation of Lennard-Jones particles (65, 536 atoms in a unit cell with overall number density equal to 0.0149) was simulated by molecular dynamics. The temperature was controlled to decrease linearly with time by various thermostats, starting from a gas state temperature and ending at zero temperature. Nucleation (aggregation) and evaporation processes of clusters are separately analyzed. No particular size dependence in the former process was found. Evaporation process made the clusters into the stable structure of the particular sizes (13, 19, 23, etc.) in cooperate with cooling the clusters