Quantum-Chemical Modeling of Deformation Processes of Chiral Carbon Nanotubes

Authors

  • Sergey Anatolevich Sozykin Author
  • Ekaterina Romanovna Sokolova Author
  • Konstantin Aleksandrovich Telnoy Author
  • Valeriy Petrovich Beskachko Author
  • German Platonovich Vyatkin Author

Abstract

The paper presents the results of quantum-mechanical calculations of the mechanical properties of chiral carbon nanotubes. We assess the conditions under which the boundary effects can be neglected in the simulation. Tensile strength, Young's modulus and shear energy for optimized nanotubes geometry were identified. The ranges of strains of nanotubes in which they have not experienced fracture. were defined.

Author Biographies

  • Sergey Anatolevich Sozykin
    Post-graduate student, General and Theoretical Physics Department
  • Ekaterina Romanovna Sokolova
    student, General and Theoretical Physics Department
  • Konstantin Aleksandrovich Telnoy
    student
  • Valeriy Petrovich Beskachko
    Dr.Sc. (Physics and Mathematics), Professor
  • German Platonovich Vyatkin
    Dr.Sc. (Chemistry), Professor, Corresponding Member of the Russian Academy of Sciences

Published

2013-04-05

Issue

Vol. 5 No. 1 (2013)

Section

Physics