Structural, Elastic, and Electronic Properties of Deformed Carbon Nanotubes Under Uniaxial Strain

Abstract

We report structural, elastic, and electronic properties of selected, deformed, single-wall carbon nanotubes under uniaxial strain. We utilized a generalized gradient approximation potential of density functional theory and the linear combination of atomic orbital formalism. We discuss bond-lengths, tubule radii, and the band gaps as functions of tension and compression strain for carbon nanotubes (10,0), (8,4), and (10,10) which have chiral angles of 0, 19.1, and 30 deg relative to the zigzag direction. We also calculated the Young's modulus and the in-plane stiffness for each of these three nanotubes as representatives of zigzag, chiral, and armchair nanotubes, respectively. We found that these carbon nanotubes have unique structural properties consisting of a strong tendency to retain their tubule radii under large tension and compression strains.

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Document Details

Document Type
Technical Report
Publication Date
May 25, 2005
Accession Number
ADA534527

Entities

People

  • A. Pullen
  • D. Bagayoko
  • Guang–Lin Zhao
  • Yang Li

Organizations

  • Southern University

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Band Gaps
  • Band Structures
  • Carbon Nanotubes
  • Computational Science
  • Elastic Properties
  • Energy Bands
  • Fermi Levels
  • First Principles Calculations
  • Fullerenes
  • Graphene
  • Graphitic Materials
  • Materials
  • Mechanics
  • Modulus Of Elasticity
  • Simulations
  • Solid State Physics
  • Tensile Strain

Fields of Study

  • Physics

Readers

  • Nanocomposite Materials Science
  • Quantum Chemistry
  • Structural Dynamics.

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene
  • Space