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Finite element modeling of single-walled carbon nanotubes with introducing a new wall thickness

Jalalahmadi, B ; Sharif University of Technology | 2007

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  1. Type of Document: Article
  2. DOI: 10.1088/1742-6596/61/1/101
  3. Publisher: Institute of Physics Publishing , 2007
  4. Abstract:
  5. A three-dimensional finite element (FE) model for armchair, zigzag and chiral single-walled carbon nanotubes (SWCNTs) is proposed. By considering the covalent bonds as connecting elements between carbon atoms, a nanotube is simulated as a space frame-like structure. Here, the carbon atoms act as joints of the connecting elements. To create the FE models, nodes are placed at the locations of carbon atoms and the bonds between them are modeled using three-dimensional elastic beam elements. Using Morse atomic potential, the elastic moduli of beam elements are obtained via considering a linkage between molecular and continuum mechanics. Also, a new wall thickness (bond diameter) equal to 0.1296 nm is introduced. In order to demonstrate the applicability of FE model and new wall thickness, the influence of tube wall thickness, diameter and chirality on the Young's modulus of SWCNTs is investigated. It is found that the choice of wall thickness significantly affects the calculation of Young's modulus. For the values of wall thickness used in the literature, the Young's moduli are estimated which agree very well with the corresponding theoretical results and experimental measurements. We also investigate the dependence of elastic moduli on diameter and chirality of the nanotube. The larger tube diameter, the higher Young's modulus of SWCNT. The Young's modulus of chiral SWCNTs is found to be generally larger than that of armchair and zigzag SWCNTs. The presented results demonstrate that the proposed FE model and wall thickness may provide a valuable tool for studying the mechanical behavior of carbon nanotubes and their application in nano-composites. © 2007 IOP Publishing Ltd
  6. Keywords:
  7. Single walled nanotube ; Carbon nanotubes ; Molecular mechanics
  8. Source: Journal of Physics: Conference Series ; Volume 61, Issue 1 , 2007 , Pages 497-502 ; 17426588 (ISSN)
  9. URL: https://iopscience.iop.org/article/10.1088/1742-6596/61/1/101/pdf