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Mechanical properties of connected carbon nanorings via molecular dynamics simulation

Chen, Nan and Lusk, Mark T. and van Duin, Adri C. T. and Goddard, William A., III (2005) Mechanical properties of connected carbon nanorings via molecular dynamics simulation. Physical Review B, 72 (8). Art. No. 085416. ISSN 1098-0121. http://resolver.caltech.edu/CaltechAUTHORS:CHEprb05

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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.


Item Type:Article
Additional Information:©2005 The American Physical Society. Received 1 March 2005; published 4 August 2005.
Subject Keywords:carbon nanotubes; molecular dynamics method; Young's modulus; tensile strength; deformation
Record Number:CaltechAUTHORS:CHEprb05
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:CHEprb05
Alternative URL:http://dx.doi.org/10.1103/PhysRevB.72.085416
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:3770
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:10 Jul 2006
Last Modified:26 Dec 2012 08:56

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