Mechanical properties of connected carbon nanorings via molecular dynamics simulation

Nan Chen, Mark T. Lusk, Adri C. T. van Duin, and William A. Goddard, III
Phys. Rev. B 72, 085416 – Published 4 August 2005

Abstract

Stable, carbon nanotori can be constructed from nanotubes. In theory, such rings could be used to fabricate networks that are extremely flexible and offer a high strength-to-density ratio. As a first step towards realizing such nanochains and nanomaile, the mechanical properties of connected carbon nanorings were investigated via molecular dynamics simulation. The Young’s modulus, extensibility and tensile stength of nanorings were estimated under conditions that idealize the constraints of nanochains and nanomaile. The results indicate nanorings are stable under large tensile deformation. The calculated Young’s modulus of nanorings was found increase with deformation from 19.43 GPa to 121.94 GPa (without any side constraints) and from 124.98 GPa to 1.56 TPa (with side constraints). The tensile strength of unconstrained and constrained nanorings is estimated to be 5.72 and 8.522 GPa, respectively. The maximum strain is approximately 39% (nanochains) and 25.2% (nanomaile), and these deformations are completely reversible.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
11 More
  • Received 1 March 2005

DOI:https://doi.org/10.1103/PhysRevB.72.085416

©2005 American Physical Society

Authors & Affiliations

Nan Chen and Mark T. Lusk*

  • Colorado School of Mines

Adri C. T. van Duin and William A. Goddard, III

  • California Institute of Technology

  • *Electronic address: mlusk@mines.edu

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 72, Iss. 8 — 15 August 2005

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×