Formation of nanoparticles by short and ultra-short laser pulses

Abstract

The main objective of this study is to explain the experimental observations. To simulate material ablation, plume formation and its evolution, we developed a combined molecular dynamics (MD) and direct simulation Monte Carlo (DSMC) computational study of laser ablation plume evolution. The first process of the material ablation is described by the MD method. The expansion of the ejected plume is modelled by the DSMC method. To better understand the formation and the evolution of nanoparticles present in the plume, we first used separate MD simulations to analyse the evolution of a cluster in the presence of background gas with different properties (density, temperature). In particular, we examine evaporation and growth reactions of a cluster with different size and initial temperature. As a result of MD calculations, we determinate the influence of the background gas parameters on the nanoparticles. The reactions rates such as evaporation/condensation, which are obtained by MD simulations, are directly transferred to the DSMC part of our combined model. Finally, several calculations performed by using MD-DSMC model demonstrate both plume dynamics and longer-time cluster evolution. Calculations results are compared with experimental findings.