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Theoretical elastic properties of single-walled carbon nanotubes



Carbon fiber nanotubes are a relatively new material with amazing physical and electrical properties. We report the results of the first-principles calculations for the elastic properties of several single-walled carbon nanotubes (SWNT) with diameters of 4–17 Å. We show that the torsional and axial strain potential energy curves can be well described in terms of the experimental elastic constants of bulk graphite. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005