A Computational Investigation of C₆₀ Depth Profiling of Ag: Molecular Dynamics of Multiple Impact Events

Abstract

Using 20-keV C60 on a Ag sample, multiple cluster bombardment events have been performed with molecular dynamics simulations. The purpose of this investigation is to develop a protocol for making depth profiling simulations tractable, as well as to examine the topographical effects which arise due to multiple impacts on smooth surfaces. The results show that when the total yield is equivalent to the removal of one atomic layer (0.24 nm), the distribution of the ejected particles is spread throughout the top 5.5 nm of the sample. Examples of individual bombardment events on the damaged surface exhibit a diversity of dynamics that is not observed on flat surfaces. Using the computational methods outlined, we have been able to run depth profiling simulations on a large-scale system.