Molecular dynamics simulation of growth of Cu nanoclusters from Cu-ions in a plasma

TL;DR

This paper uses molecular dynamics to simulate the growth of copper nanoclusters from ions in plasma, highlighting the effects of ion energy and angular distribution on cluster formation.

Contribution

It introduces a new model for simulating high-energy ion impacts in nanocluster growth within plasma environments.

Findings

Energy transfer from ions to clusters is significant.

Angular distribution of ions affects growth dynamics.

Diffusion of ions on cluster surfaces influences size and shape.

Abstract

A recently developed method of nanoclusters growth in a pulsed plasma is studied by means of molecular dynamics. A model that allows one to consider high-energy charged particles in classical molecular dynamics is suggested, and applied for studies of single impact events in nanoclusters growth. In particular, we provide a comparative analysis of the well-studied inert gas aggregation method and the growth from ions in a plasma. The importance to consider of the angular distribution of incoming ions in the simulations of the nanocluster growth is underlined. A detailed study of the energy transfer from the incoming ions to a nanocluster, as well as the diffusion of incoming ions on the cluster surface is carried out. Our results are important for understanding and control of the nanocluster growth process.