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Mechanical properties of connected carbon nanorings via molecular dynamics simulation

  • Nan Chen
  • , Mark T. Lusk
  • , Adri C.T. Van Duin
  • , William A. Goddard
  • Colorado School of Mines
  • California Institute of Technology

Résultats de recherche: Contribution à un journalArticleRevue par des pairs

Résumé

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.

langue originaleAnglais
Numéro d'article085416
journalPhysical Review B - Condensed Matter and Materials Physics
Volume72
Numéro de publication8
Les DOIs
étatPublié - 15 août 2005
Modification externeOui

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