Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation
Abstract
:1. Introduction
2. Results and Discussion
2.1. Multilayer Graphene under Compression
2.2. Multilayer Graphene with Ni and H Nanoclusters
2.3. Mechanical Behavior of Multilayer Graphene under Uniaxial Tension
3. Methods and Materials
4. Conclusions
- (i)
- Multilayer graphene shows good mechanical properties under compressive and tensile strain, which can be explained by the strong interaction induced by the crumpling of graphene layers and entangled microstructure.
- (ii)
- One of the main deformation mechanisms is the slippage of graphene layers during tension.
- (iii)
- Two competitive mechanisms can be distinguished both for compression and tension: the crumpling of graphene layers, which increases the stresses, and the sliding of graphene layers through the surface-to-surface connection, which lowers the deformation stresses.
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Polyakova, P.V.; Baimova, J.A. Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation. Int. J. Mol. Sci. 2023, 24, 6691. https://doi.org/10.3390/ijms24076691
Polyakova PV, Baimova JA. Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation. International Journal of Molecular Sciences. 2023; 24(7):6691. https://doi.org/10.3390/ijms24076691
Chicago/Turabian StylePolyakova, Polina V., and Julia A. Baimova. 2023. "Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation" International Journal of Molecular Sciences 24, no. 7: 6691. https://doi.org/10.3390/ijms24076691