Quantum-Chemical Modeling of Deformation Processes of Chiral Carbon Nanotubes
Authors
Sergey Anatolevich Sozykin
South Ural State University
Ekaterina Romanovna Sokolova
South Ural State University
Konstantin Aleksandrovich Telnoy
South Ural State University
Valeriy Petrovich Beskachko
South Ural State University
German Platonovich Vyatkin
South Ural State University
Keywords:
carbon nanotubes, Young modulus, shear modulus, ultimate stress
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, South Ural State University
Post-graduate student, General and Theoretical Physics Department
Ekaterina Romanovna Sokolova, South Ural State University
student, General and Theoretical Physics Department
Konstantin Aleksandrovich Telnoy, South Ural State University
student
Valeriy Petrovich Beskachko, South Ural State University
Dr.Sc. (Physics and Mathematics), Professor
German Platonovich Vyatkin, South Ural State University
Dr.Sc. (Chemistry), Professor, Corresponding Member of the Russian Academy of Sciences
