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Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 2013, Volume 5, Issue 1, Pages 95–99 (Mi vyurm55)  

Physics

Quantum-chemical modeling of deformation processes of chiral carbon nanotubes

S. A. Sozykin, E. R. Sokolova, K. A. Telnoy, V. P. Beskachko, G. P. Vyatkin

South Ural State University

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.

Keywords: carbon nanotubes, Young modulus, shear modulus, ultimate stress.

Full text: PDF file (515 kB)
References: PDF file   HTML file
UDC: 245.26
Received: 11.01.2013

Citation: S. A. Sozykin, E. R. Sokolova, K. A. Telnoy, V. P. Beskachko, G. P. Vyatkin, “Quantum-chemical modeling of deformation processes of chiral carbon nanotubes”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 5:1 (2013), 95–99

Citation in format AMSBIB
\Bibitem{SozSokTel13}
\by S.~A.~Sozykin, E.~R.~Sokolova, K.~A.~Telnoy, V.~P.~Beskachko, G.~P.~Vyatkin
\paper Quantum-chemical modeling of deformation processes of chiral carbon nanotubes
\jour Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz.
\yr 2013
\vol 5
\issue 1
\pages 95--99
\mathnet{http://mi.mathnet.ru/vyurm55}


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