Thin-film nubleation through molecular cluster beam deposition:comparison if tight-binding and many-body empiricl potential molecular dynamics simulations

摘要

Molecular dynamics simulations are performed to investigate the chemical products fo molecular ethlene-cluster beam deposition on diamond substrates at room terperature.The substrates are hydrogen-cluster beam deposition on diamond substrates at room temperature.The substrates are hydrogen-terminated diamond(111)surfaces of varying sizes.The computation approach is molecular dynamics simulations with two different methods for determining the forces on the atoms:an empirical reactive empirical bond-order hydrocarbon potential and an order-N nonorthogonal tight-binding method.The results of these two approaches to thin-film nucleation through ethlene-cluster beam deposition,advantages,and limitations of these tow approaches.