On a Nanoscopically-Informed Shell Theory of Single-Wall Carbon Nanotubes

TL;DR

This paper develops a simple, nanoscopically-informed shell theory for single-walled carbon nanotubes that accurately models their elastic response and introduces chirality-dependent effective thickness and radius.

Contribution

It presents the first nanoscopically-informed continuum shell model for SWCNTs that accounts for chirality-dependent geometric parameters.

Findings

The model accurately predicts elastic response of A- and Z- CNTs.

Introduces chirality-dependent effective thickness and radius.

Fits SWCNTs of various chiralities.

Abstract

This paper proposes a bottom-up sequence of modeling steps leading to a nanoscopically informed continuum, and as such macroscopic, theory of single-walled carbon nanotubes (SWCNTs). We provide a description of the geometry of the two most representative types of SWCNTs, armchair (A-) and zigzag (Z-), of their modules and of their elementary bond units. We believe ours to be the simplest shell theory that accounts accurately for the linearly elastic response of both A- and Z- CNTs. In fact, our theory can be shown to fit SWCNTs of whatever chirality; its main novel feature is perhaps the proposition of chirality-dependent concepts of effective thickness and effective radius.