Simulations of composite carbon films with nanotube inclusions

TL;DR

This paper uses Monte Carlo simulations to explore how nanotube inclusions affect the structure, stability, and elastic properties of composite carbon films, highlighting the importance of Van der Waals forces.

Contribution

It introduces a detailed simulation study of nanotube-included carbon films, revealing the role of Van der Waals forces and predicting stable structures with enhanced elastic properties.

Findings

Van der Waals forces shape interfacial geometry

Stable structures have intermediate densities and high anisotropy

Elastic moduli are increased compared to pure amorphous carbon

Abstract

We study the interfacial structure, stability, and elastic properties of composite carbon films containing nanotubes. Our Monte Carlo simulations show that Van der Waals forces play a vital role in shaping up the interfacial geometry, producing a curved graphitic wall surrounding the tubes. The most stable structures are predicted to have intermediate densities, high anisotropies, and increased elastic moduli compared to pure amorphous carbon films.