Thin Film Growth as a Result of Cluster-Surface Collisions: Computational Simulations

Abstract

AbstractMolecular dynamics simulations have been performed to investigate the chemical and structural processes which occur when molecular clusters of acetylene impact a non-rigid, hydrogenterminated diamond (111) surface at incident hyperthermal kinetic energies. The atoms are characterized by a realistic many-body empirical potential for hydrocarbon systems. The goal is to study the initial stages of thin film growth following impact. Important processes observed during the simulations include polymerization of the cluster molecules, and adsorption (tethering) of some polymer chains to the surface in the initial stages of thin film growth. Further simulations will be necessary to fully determine the characteristics of the film.