Theoretical elastic properties of single-walled carbon nanotubes

摘要

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 angstrom. 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. (c) 2005 Wiley Periodicals, Inc.