Capture of an Atom by an Argon Cluster: Atomistic Simulation

A molecular dynamics simulation of the collision of an argon atom with a neutral cluster Ar-n ( n <= 400) in an equilibrium system at a temperature of T = 20-35 K has been performed using the classical trajectory method. It has been shown that the total capture cross section under these conditions exceeds the limiting value obtained in the hard-sphere model and approaches it very slowly with an increase in n and T. At the same time, the simulation results are in agreement with the Langevin capture cross section for an atom in the Gspann-Vollmar potential, particularly with allowance for the dependence of the capture probability on the collision rate. DOI: 10.1134/S0021364011220048