Hyperelastic Finite Element Model for Single Wall Carbon Nanotubes in Tension

EI Saavedra-Flores, S Adhikari, MI Friswell (Swansea University) & F Scarpa (University of Bristol)

Computational Material Science, Vol. 50, No. 3, January 2011, pp. 1083-1087


This paper investigates the hyperelastic behaviour of single wall carbon nanotubes (SWCNTs) by means of a finite element-based lattice approach. A one-term incompressible Ogden-type hyperelastic model is chosen to describe the mechanical response of SWCNTs under tensile loading. In order to determine the material constants of the model, numerical tests are conducted on a representative arrangement of carbon atoms, establishing equality between the Ogden strain-energy and the variation of the Terso-Brenner interatomic potential. The material constants determined here are then used in numerical simulations carried out on SWCNTs models. A very good predictive capability of the present model is found when the obtained results are compared to published data. A first important conclusion obtained from the present work suggests that a value of 0.147nm for the C-C bond equivalent diameter is suitable for the hyperelastic description of SWCNTs. A second important conclusion reveals a prediction of 0.51 for the breaking strain of SWCNTs under tension, which is in excellent agreement with results obtained from molecular dynamics simulations and continuum theory.

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This material has been published in the Computational Material Science, Vol. 50, No. 3, January 2011, pp. 1083-1087. Unfortunately the copyright agreement with Elsevier does not allow for the PDF file of the paper to be available on this website. However the paper is available from ScienceDirect - see the link below.

Link to paper using doi: 10.1016/j.commatsci.2010.11.005

Computational Material Science on ScienceDirect