Simulations of atom-atom collisions in metallic surfaces

A molecular dynamics simulation software called Kalypso has been presented. The interatomic potentials which determine the interactions between atoms are analyzed. A brief information about the experimental technique called impact-collision ion scattering spectroscopy (ICISS) method has been given. The simulations of three ICISS experiments those are found by literature search are performed by means of Kalypso. At the end of the simulations carried out for each repulsive Coulombic potential models ZBL (Ziegler - Biersack - Littmark), ML (Moliére - Linhard) and MF (Moliére - Firsov) provided by the simulation software pack, results which are mostly in accordance with the experimental results have been obtained with ZBL model. The effect of relaxation occured in surface atoms to simulations performed by Kalypso has been examined and the results are reported.