Molecular Dynamics Simulation Study of Liquid Metal Targets Using the Embedded Atom Method

摘要

A molecular dynamics digital simulation was used to investigate the sputtering yields from both liquid and solid metal targets. The system consisted of 1.0 keV Argon ions bombarding Rhodium targets. The embedded atom method of calculating potentials was used with a modified Moliere/Morse potential function. The yields from the solid and liquid targets were compared with the liquid showing a slightly higher yield than the solid. The liquid was simulated by random displacements of the atoms from a solid crystal lattice. Changing the seed, used by the random number generator to produce the liquid, effected the sputtering yield similar to moving the impact point. Four different sampling methods were investigated which produced similar results. Hence, the models described in this thesis should provide a basis for general sputtering simulations of liquids. Simulation, Molecular dynamics, Liquids, Embedded atom method, Theses. (MJM)