Open Access
International Journal of Molecular Sciences, volume 24, issue 7, pages 6691
Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation
Publication type: Journal Article
Publication date: 2023-04-03
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 5.6
ISSN: 16616596, 14220067
Catalysis
Organic Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Computer Science Applications
Spectroscopy
Molecular Biology
General Medicine
Abstract
Molecular dynamics simulation is used to study and compare the mechanical properties obtained from compression and tension numerical tests of multilayered graphene with an increased interlayer distance. The multilayer graphene with an interlayer distance two-times larger than in graphite is studied first under biaxial compression and then under uniaxial tension along three different axes. The mechanical properties, e.g., the tensile strength and ductility as well as the deformation characteristics due to graphene layer stacking, are studied. The results show that the mechanical properties along different directions are significantly distinguished. Two competitive mechanisms are found both for the compression and tension of multilayer graphene—the crumpling of graphene layers increases the stresses, while the sliding of graphene layers through the surface-to-surface connection lowers it. Multilayer graphene after biaxial compression can sustain high tensile stresses combined with high plasticity. The main outcome of the study of such complex architecture is an important step towards the design of advanced carbon nanomaterials with improved mechanical properties.
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International Journal of Molecular Sciences
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International Journal of Molecular Sciences
1 publication, 100%
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Citations by publishers
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Multidisciplinary Digital Publishing Institute (MDPI)
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Multidisciplinary Digital Publishing Institute (MDPI)
1 publication, 100%
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Polyakova P. V., Baimova J. Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation // International Journal of Molecular Sciences. 2023. Vol. 24. No. 7. p. 6691.
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Polyakova P. V., Baimova J. Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation // International Journal of Molecular Sciences. 2023. Vol. 24. No. 7. p. 6691.
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TY - JOUR
DO - 10.3390/ijms24076691
UR - https://doi.org/10.3390%2Fijms24076691
TI - Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation
T2 - International Journal of Molecular Sciences
AU - Polyakova, Polina V.
AU - Baimova, J.A.
PY - 2023
DA - 2023/04/03 00:00:00
PB - Multidisciplinary Digital Publishing Institute (MDPI)
SP - 6691
IS - 7
VL - 24
SN - 1661-6596
SN - 1422-0067
ER -
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@article{2023_Polyakova,
author = {Polina V. Polyakova and J.A. Baimova},
title = {Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation},
journal = {International Journal of Molecular Sciences},
year = {2023},
volume = {24},
publisher = {Multidisciplinary Digital Publishing Institute (MDPI)},
month = {apr},
url = {https://doi.org/10.3390%2Fijms24076691},
number = {7},
pages = {6691},
doi = {10.3390/ijms24076691}
}
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Polyakova, Polina V., and J.A. Baimova. “Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation.” International Journal of Molecular Sciences, vol. 24, no. 7, Apr. 2023, p. 6691. https://doi.org/10.3390%2Fijms24076691.
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