Molecular Dynamics for Low Temperature Plasma-Surface Interaction Studies

TL;DR

This paper reviews the use of molecular dynamics simulations to study low temperature plasma-surface interactions, highlighting its applications in material processing and the understanding of atomic-level mechanisms.

Contribution

It provides a comprehensive overview of MD simulation techniques, inter-atomic potentials, and their application to various plasma-material interaction processes.

Findings

MD simulations elucidate bond breaking and formation during plasma impacts

Application examples include carbon film deposition and plasma etching

Highlights the importance of inter-atomic potentials in modeling accuracy

Abstract

The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms through integration of atomic equations of motion, using inter-atomic potentials that can account for bond breaking and formation that result when energetic species from the plasma impact surfaces. This article summarizes the current status of the technique for various applications of low temperature plasmas to material processing technologies. The method is reviewed, and commonly used inter-atomic potentials are described. Special attention is paid to the use of MD in understanding various representative applications, including tetrahedral amorphous carbon film deposition from energetic carbon ions; the interactions of radical species with amorphous hydrogenated silicon films; silicon nano-particles in plasmas; and plasma etching.