Using Molecular Dynamics Simulation and Parallel Computing Technique of the Deposition of Diamond-Like Carbon Thin Films

摘要

A technique of parallel computing in simulating the deposition of diamond-like carbon thin film by molecular dynamics is proposed. The Tersoff potential which is a multi-body potential is adopted here in determining inter-atomic forces. The deposition of carbon thin film on diamond substrates and silicon substrates under different incident kinetic energies and different substrate temperatures are investigated. The multiprocessor of workstation computer containing 8 cores used for simulating the deposition is based on MPICH2 which is an implementation of message passing interface. The results show that the percentages of deposited sp3 carbon atoms differ from 6.1% to 34.8% depending on the type of substrate, incident kinetic energy and substrate temperature.