Cluster assimilation and collisional filtering on metal-oxide surfaces

TL;DR

This study uses ab initio molecular dynamics to explore how metal-oxide clusters interact with surfaces, revealing internal cluster dynamics influence collision outcomes and may explain rapid surface smoothing during laser deposition.

Contribution

First ab initio molecular dynamics investigation of metal-oxide cluster collisions with surfaces, highlighting the role of internal degrees of freedom in collision outcomes.

Findings

Clusters assimilate onto surfaces without rebound under certain conditions

Internal temperature and translational energy influence collision results

Filtering mechanism may explain fast smoothing in laser deposition

Abstract

We present the first ab initio molecular dynamics study of collisions between metal-oxide clusters and surfaces. The resulting trajectories reveal that the internal degrees of freedom of the cluster play a defining role in collision outcome. The phase space of incoming internal temperature and translational energy exhibits regions where the collision process itself ensures that each cluster which does not rebound from the surface assimilates seamlessly onto it upon impact. This filtering may explain recent observations of a "fast smoothing mechanism" during pulsed laser deposition.