Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

On the determination of elastic properties of single-walled nitride nanotubes using numerical simulation

Nataliya A. Sakharova
* ORCID logo ,
André F.G. Pereira
ORCID logo ,
Jorge M. Antunes
ORCID logo ,
Bruno M. Chaparro
,
Tomás G. Parreira
ORCID logo ,
José V. Fernandes
ORCID logo
Version 1 : Received: 8 April 2024 / Approved: 8 April 2024 / Online: 9 April 2024 (09:58:21 CEST)

How to cite: Sakharova, N.A.; Pereira, A.F.; Antunes, J.M.; Chaparro, B.M.; Parreira, T.G.; Fernandes, J.V. On the determination of elastic properties of single-walled nitride nanotubes using numerical simulation. Preprints 2024, 2024040629. https://doi.org/10.20944/preprints202404.0629.v1 Sakharova, N.A.; Pereira, A.F.; Antunes, J.M.; Chaparro, B.M.; Parreira, T.G.; Fernandes, J.V. On the determination of elastic properties of single-walled nitride nanotubes using numerical simulation. Preprints 2024, 2024040629. https://doi.org/10.20944/preprints202404.0629.v1

Abstract

In the recent years, tubular nanostructures have been related with immense advances in various fields of science and technology. Considerable research efforts have been centered on the theoretical prediction and manufacturing of non-carbon nanotubes (NTs), which meet modern requirements for the developing of novel devices and systems. In this context, diatomic inorganic nanotubes formed by atoms of elements from the 13th group of the periodic table (B, Al, Ga, In, Tl) and nitrogen (N), have received much research attention. In the present work, the elastic properties of single-walled boron nitride, aluminium nitride, gallium nitride, indium nitride and thallium nitride nanotubes were numerically evaluated using the nanoscale continuum modelling approach (also called molecular structural mechanics). The elastic properties (rigidities, surface Young´s and shear moduli, and Poisson´s ratio) of nitride nanotubes are discussed with respect to the bond length of the corresponding diatomic hexagonal lattice. The results obtained contribute to a better understanding of the mechanical response of nitride compound-based nanotubes, covering a broad range from the well-studied boron nitride NTs to the hypothetical thallium nitride NTs.

Keywords

13th group element; nitride nanotubes; rigidity; elastic moduli; modelling; numerical simulation.

Subject

Engineering, Mechanical Engineering

Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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