 | | 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: | | 13554 |
| In Russian (Èçâ. ÐÀÍ. ÌÒÒ): | | 8194
|
| In English (Mech. Solids): | | 5360 |
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| << Previous article | Volume 60, Issue 7 / 2025 | Next article >> |
| P.V. Polyakova, "Orientation Dependence of γ-Graphyne Strength: Molecular Dynamics," Mech. Solids. 60 (7), 6285-6292 (2025) |
| Year |
2025 |
Volume |
60 |
Number |
7 |
Pages |
6285-6292 |
| DOI |
10.1134/S0025654425606330 |
| Title |
Orientation Dependence of γ-Graphyne Strength: Molecular Dynamics |
| Author(s) |
P.V. Polyakova (Institute for Metals Superplasticity Problems of RAS, Ufa, 450001 Russia, polina.polyakowa@yandex.ru) |
| Abstract |
Graphynes are two-dimensional materials composed of sp- and sp2-hybridized carbon atoms. They are promising materials for future electronic devices due to their unique electronic and optical properties. In the present work, the orientation dependence of γ1-graphyne strength and fracture strain with the detailed analysis of the deformation behavior is carried out by molecular dynamics. Graphynes with different chirality from 0° (armchair) to 30° (zigzag) are considered. It is found that γ1-graphyne strength depends on chirality: the highest strength (42.7 N/m) is found for zigzag direction. The Young’s modulus and fracture strain does not depend on the γ1-graphyne chirality. The main deformation mechanisms are revealed: elongation of covalent bonds and rotation of valence angles. The obtained results allow a better understanding of the effect of the γ1-graphyne chirality on their mechanical properties for future applications. |
| Keywords |
graphyne, chirality, ultimate tensile strength, mechanical properties, molecular dynamics |
| Received |
20 October 2025 | Revised |
09 November 2025 | Accepted |
10 November 2025 |
| Link to Fulltext |
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