First-principles Helical Elasticity in Carbon Nanotubes

POSTER

Abstract

As an application of a unique, one-dimensional first-principles method with screw-symmetric boundary conditions, we derive a helical elastic tensor, and with it express several fundamental physical quantities of extended quasi-one dimensional, helical systems, including torsional and longitduinal speeds of sound, radial-breathing frequencies, and Poisson's ratio. These quantities are then calculated for nearly every nanotube structure from 0.4 to 1.4 nm, and the results are interpreted through the in-plane elastic response of graphene.

*This work was supported by the NRC and the ONR through the Naval Research Laboratory.

Authors

  • H.M. Lawler

    • University of Washington
  • J.W. Mintmire

    • Oklahoma State University
  • D.A. Areshkin

    • Naval Research Laboratory
  • Daniel Gunlycke

    • Naval Research Laboratory
    • Chemistry Division, Naval Research Laboratory, Washington, DC 20375.
  • Carter White

    • Naval Research Laboratory
    • Chemistry Division, Naval Research Laboratory, Washington, DC 20375.