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Elastic and Plastic Deformations of Carbon Nanotubes Multilayer Packing on a Flat Substrate

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Abstract

It is shown by molecular dynamics method using the chain model that the transverse compression of a multilayer packing of identical parallel single-walled carbon nanotubes on a flat substrate can be elastic only for their diameter D < 2.5 nm. In this case, the removal of compression leads to the return of the packing to the ground uncompressed state. For D > 2.5 nm, a multilayer packing is a multistable system with a large number of stationary states, which are characterized by the portion of collapsed nanotubes (the packing thickness decreases monotonically with increasing fraction of such nanotubes). For nanotubes with a chirality index (60, 0) (D = 4.69 nm), the thickness of 11-layer packing can change from 12 to 36 nm depending on the fraction of collapsed nanotubes. The transverse compression of such a packing leads to plastic deformations. Such a compression transforms the packing from one stationary state to another with a smaller thickness only due to collapse of a part of nanotubes. Simulation of dynamics shows that all stationary states of the packing are stable to thermal vibrations.

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Funding

This study was supported by the Russian Science Foundation (project no. 19-58-45036 IND-a). Computer resources were provided by the Joint Supercomputer Center, Russian Academy of Sciences.

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Authors and Affiliations

  1. Semenov Federal Research Center of Chemical Physics, Russian Academy of Sciences, 119991, Moscow, Russia

    A. V. Savin

  2. Plekhanov Russian University of Economics, 117997, Moscow, Russia

    A. V. Savin & O. I. Savina

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  1. A. V. Savin
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  2. O. I. Savina
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Correspondence to A. V. Savin.

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Translated by N. Wadhwa

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Savin, A.V., Savina, O.I. Elastic and Plastic Deformations of Carbon Nanotubes Multilayer Packing on a Flat Substrate. J. Exp. Theor. Phys. 134, 60–68 (2022). https://doi.org/10.1134/S1063776122010022

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