Dissemin is shutting down on January 1st, 2025

Published in

Elsevier, Computational Materials Science, (114), p. 167-171

DOI: 10.1016/j.commatsci.2015.12.036

Links

Tools

Export citation

Search in Google Scholar

Intrinsic strength and failure behaviors of ultra-small single-walled carbon nanotubes

This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Red circle
Postprint: archiving forbidden
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

The intrinsic mechanical strength of single-walled carbon nanotubes (SWNTs) within the diameter range of 0.3–0.8 nm has been studied based on ab initio density functional theory calculations. In contrast to predicting “smaller is stronger and more elastic” in nanomaterials, the strength of the SWNTs is significantly reduced when decreasing the tube diameter. The results obtained show that the Young’s modulus E significantly reduced in the ultra-small SWNTs with the diameter less than 0.4 nm originates from their very large curvature effect, while it is a constant of about 1.0 TPa, and independent of the diameter and chiral index for the large tube. We find that the Poisson’s ratio, ideal strength and ideal strain are dependent on the diameter and chiral index. Furthermore, the relations between E and ideal strength indicate that Griffith’s estimate of brittle fracture could break down in the smallest (2, 2) nanotube, with the breaking strength of 15% of E. Our results provide important insights into intrinsic mechanical behavior of ultra-small SWNTs under their curvature effect.