Geodesic
Quantum-chemical modeling of deformation processes of chiral carbon nanotubes
Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, Tome 5 (2013) no. 1, pp. 95-99

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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.
Mots-clés : carbon nanotubes
Keywords: Young modulus, shear modulus, ultimate stress. 
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     author = {S. A. Sozykin and E. R. Sokolova and K. A. Telnoy and V. P. Beskachko and G. P. Vyatkin},
     title = {Quantum-chemical modeling of deformation processes of chiral carbon nanotubes},
     journal = {Vestnik \^U\v{z}no-Uralʹskogo gosudarstvennogo universiteta. Seri\^a, Matematika, mehanika, fizika},
     pages = {95--99},
     publisher = {mathdoc},
     volume = {5},
     number = {1},
     year = {2013},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/VYURM_2013_5_1_a14/}
}
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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. Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, Tome 5 (2013) no. 1, pp. 95-99. http://geodesic.mathdoc.fr/item/VYURM_2013_5_1_a14/