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Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika", 2012, Issue 7, Pages 182–185
(Mi vyurm145)
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This article is cited in 3 scientific papers (total in 3 papers)
Short communications
Mechanical properties of the complexes of carbon nanotube (7,7) with single $\mathrm{Li}$, $\mathrm{Na}$, $\mathrm{S}$ and $\mathrm{Se}$ atoms
S. A. Sozykin, V. P. Beskachko South Ural State University
Abstract:
Exo- and endohedral complexes of carbon nanotubes $(7,7)$ with small concentration(less than $\sim1$ at. %) of adsorbed atoms of the lithium, sodium, sulfur and selenium on their surface are considered. Equilibrium configurations of these complexes, as well as their mechanical properties (elastic moduli, tensile strength and elongation at break were calculated by using methods of first-principle simulations and density functional theory. The difference in influence of atoms of alkaline metals and chalcogen atoms on structure and properties of sorption complexes was shown.
Keywords:
arbon nanotubes, Young's modulus, shear modulus, tensile strength, density functional theory.
Received: 18.10.2012
Citation:
S. A. Sozykin, V. P. Beskachko, “Mechanical properties of the complexes of carbon nanotube (7,7) with single $\mathrm{Li}$, $\mathrm{Na}$, $\mathrm{S}$ and $\mathrm{Se}$ atoms”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 2012, no. 7, 182–185
Linking options:
https://www.mathnet.ru/eng/vyurm145 https://www.mathnet.ru/eng/vyurm/y2012/i7/p182
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Abstract page: | 140 | Full-text PDF : | 54 | References: | 31 |
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