Molecular Dynamics Simulation of Sputtering

The sputtering of metals by low-energy (keV) ion bombardment has been investigated with the molecular dynamics technique. This study, based on computer simulations, aims to elucidate experimental observations and to provide valuable theoretical insight. The systems studied include Ar+ ion bombardment of metals, alloys, and isotopic mixtures in either the solid or liquid state. Effects of many-body interactions on the spectrum of sputtered atoms were also examined. Simulation results generally support experimental findings and render many basic assumptions of analytic sputtering theory dubious. This thesis consists of molecular dynamics studies of several sputtering topics not directly related to each other and is organized accordingly into separate chapters. Each of these chapters will be a summary of corresponding publications published by the author during the course of his graduate study. Reprints of publications are included as appendices at the end of each chapter.