 | | Mechanics of Solids
A Journal of Russian Academy of Sciences | | Founded
in January 1966
Issued 6 times a year
Print ISSN 0025-6544
Online ISSN 1934-7936 |
Archive of Issues
| Total articles in the database: | | 12804 |
| In Russian (Èçâ. ÐÀÍ. ÌÒÒ): | | 8044
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| In English (Mech. Solids): | | 4760 |
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| A.Kh. Akhunova, L.Kh. Galiakhmetova, and J.A. Baimova, "New 2D Structures: Graphynes Under Tension," Mech. Solids. 59 (1), 401-409 (2024) |
| Year |
2024 |
Volume |
59 |
Number |
1 |
Pages |
401-409 |
| DOI |
10.1134/S0025654424602726 |
| Title |
New 2D Structures: Graphynes Under Tension |
| Author(s) |
A.Kh. Akhunova (Institute for Metals Superplasticity Problems of RAS, Ufa, 450001 Russia; Ufa University of Science and Technology, Ufa, 450076 Russia, akhunova.a.a@gmail.com)
L.Kh. Galiakhmetova (Institute for Metals Superplasticity Problems of RAS, Ufa, 450001 Russia, rysaeva.l.h@gmail.com)
J.A. Baimova (Institute for Metals Superplasticity Problems of RAS, Ufa, 450001 Russia; Ufa University of Science and Technology, Ufa, 450076 Russia, julia.a.baimova@gmail.com) |
| Abstract |
The search for new materials for electronic or nanomechanical devices is of great importance today. Such 2D nanostructures as graphene have attracted much attention due to their unique physical and mechanical properties. Graphynes are a class of new nanostructures with sp- and sp2-hybridized carbon atoms arranged in a crystal lattice, which exhibit high strength and attractive electronic properties. In the present work, molecular dynamics is used to study the mechanical behavior of graphynes under tension at 0 K. Graphene, four graphynes β1-, β3-, γ1-, γ2- graphynes, and γ1-graphdiyne were considered. Tensile deformation is applied in such a way to allow wrinkling of the 2D structure. Two deformation mechanisms were found for all the considered structures: bond elongation and rotation combined with wrinkling/flattening of the 2D structure. It was found, that the higher the density of the structure, the higher the ultimate tensile strength under tension. Initially, weaker bonds between carbon atoms contributed to the tensile deformation, while at high strain, acetylenic bonds began to contribute. Changes in the valent angles also contribute significantly to the tensile behavior at different deformation stages, becoming critical at the final deformation stage. Tensile deformation is accompanied by the continuous wrinkling and then flattening of the 2D structure. Understanding the deformation behavior of such a novel structures as graphynes is of great importance for their future application in new electronic devices. |
| Keywords |
graphene, graphyne, mechanical properties, molecular dynamics |
| Received |
14 February 2024 | Revised |
20 February 2024 | Accepted |
22 February 2024 |
| Link to Fulltext |
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