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Nanoscience and Technology: An International Journal
ESCI SJR: 0.228 SNIP: 0.484 CiteScore™: 0.37

ISSN Druckformat: 2572-4258
ISSN Online: 2572-4266

Nanoscience and Technology: An International Journal

Formerly Known as Nanomechanics Science and Technology: An International Journal

DOI: 10.1615/NanomechanicsSciTechnolIntJ.v1.i1.10
pages 1-29

QUANTUM-MECHANICAL STUDIES OF DEFORMATION OF CARBON NANOTUBES

Yuri G. Yanovsky
Institute of Applied Mechanics, Russian Academy of Sciences, 7 Leningradsky Ave., Moscow, 125040, Russia
E. A. Nikitina
Institute of Applied Mechanics, Russian Academy of Sciences, Moscow, 119991, Russia
Sergey Nikitin
D. V. Skobeltsyn Research Institute of Nuclear Physics,Institute of Applied Mechanics, Russian Academy of Sciences; Scientific-Research Institute of Nuclear Physics, Moscow State University; and Peoples' Friendship University of Russia, Moscow, Russia
Yulia N. Karnet
Institute of Applied Mechanics, Russian Academy of Sciences, 7 Leningradsky Ave., Moscow, 125040, Russian Federation

ABSTRAKT

The microscopic mechanisms and characteristics of deformation and destruction in uniaxial tension of carbon nanotubes (CNT) of different diameters and chirality have been investigated within the framework of the quantum-mechanical approach. CNTs with the "armchair" (4, 4) and (5, 5) and "zigzag" (8, 0) configurations were considered under different conditions of loading. The results of calculation of the Young modulus have shown that CNTs with a larger diameter have a higher strength (E = 1.2 TPa) than CNTs with a smaller diameter (E = 0.76 TPa). CNTs with the "armchair" configuration are stronger (E = 1.2 TPa) than CNTs with the "zigzag" configuration (E = 0.825 TPa). Thus, a computer experiment has shown both qualitative and quantitative agreement with the experimental data known from the literature and with the available theoretical calculations.