3-7 July 2023
University of Zululand
Africa/Johannesburg timezone
The Proceedings of SAIP2023 Published: 20 December 2023

Numerical Simulations Defect-Decorated Carbon Nanotubes under Pressure

7 Jul 2023, 10:20
20m
University of Zululand

University of Zululand

Oral Presentation Track A - Physics of Condensed Matter and Materials Physics of Condensed Matter and Materials Track 1

Speaker

Dr Robert Warmbier (University of the Witwatersrand)

Description

Carbon nanotubes (CNTs) are amongst the strongest materials known with very high tensile strength and Young’s modulus. Unfortunately the ideal parameters primarily refer to single nanotubes. In amorphous materials and non-twisted bundles the macroscopic strength is limited by the relatively weak van der Waals interaction between the tubes.
In recent years researchers have tried to modify CNT-based materials in various ways, including irradiation to create defect-decorated CNTs. In this paper we present Density Functional Theory and Molecular Dynamics simulations of defect-decorated CNTs. We show that even small fractions of extra defects in the material can lower the collapse pressures significantly. The extra defects also facilitate deformations into oval and race-track shapes at lower pressures. The interplay between defect-decorations and pressures further allows for local morphological changes, including CNT-interlinking, which do not lessen the strength of CNTs further, but might improve other material properties.

Level for award;(Hons, MSc, PhD, N/A)?

N/A

Apply to be considered for a student ; award (Yes / No)? No

Primary authors

Dr Robert Warmbier (University of the Witwatersrand) Mr Xolani Maphisa (University of Johannesburg)

Presentation Materials

Peer reviewing

Paper