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Molecular Mechanics Based Finite Element for Carbon Nanotube Modeling

[+] Author Affiliations
Theodosios C. Theodosiou, Dimitris A. Saravanos

University of Patras, Patras, Greece

Paper No. CANEUS2006-11062, pp. 55-64; 10 pages
  • CANEUS 2006: MNT for Aerospace Applications
  • CANEUS2006: MNT for Aerospace Applications
  • Toulouse, France, August 27–September 1, 2006
  • Conference Sponsors: Nanotechnology Institute
  • ISBN: 0-7918-4254-1 | eISBN: 0-7918-3787-4
  • Copyright © 2006 by ASME


In this paper a new method is introduced for carbon nanotubes modeling. It combines features of Molecular Mechanics and Finite Element Analysis. This method is based on the development of a new finite element, whose internal energy is determined by the semi-empirical Brenner molecular potential model; all quantities are calculated analytically in order to gain more accuracy. The method is validated through comparisons to results provided by other researchers and are obtained either by experimental procedures or theoretical predictions. The bending and shearing of CNTs is also simulated.

Copyright © 2006 by ASME



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