Open Access
Materials, volume 15, issue 11, pages 4038
Methodologyfor Molecular Dynamics Simulation of Plastic Deformation of a Nickel/Graphene Composite
Publication type: Journal Article
Publication date: 2022-06-06
PubMed ID:
35683329
General Materials Science
Abstract
In this study, some features of molecular dynamics simulation for evaluating the mechanical properties of a Ni/graphene composite and analyzing the effect of incremental and dynamic tensile loading on its deformation are discussed. A new structural type of the composites is considered: graphene network (matrix) with metal nanoparticles inside. Two important factors affecting the process of uniaxial tension are studied: tension strain rate (5 ×10−3 ps−1 and 5 ×10−4 ps−1) and simulation temperature (0 and 300 K). The results show that the strain rate affects the ultimate tensile strength under tension: the lower the strain rate, the lower the critical values of strain. Tension at room temperature results in lower ultimate tensile strength in comparison with simulation at a temperature close to 0 K, at which ultimate tensile strength is closer to theoretical strength. Both simulation techniques (dynamic and incremental) can be effectively used for such a study and result in almost similar behavior. Fabrication technique plays a key role in the formation of the composite with low anisotropy. In the present work, uniaxial tension along three directions shows a big difference in the composite strength. It is shown that the ultimate tensile strength of the Ni/graphene composite is close to that of pure crumpled graphene, while the ductility of crumpled graphene with metal nanoparticles inside is two times higher. The obtained results shed the light on the simulation methodology which should be used for the study of the deformation behavior of carbon/metal nanostructures.
Citations by journals
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Materials
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Materials
2 publications, 28.57%
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Materials Today Physics
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Materials Today Physics
1 publication, 14.29%
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Applied Sciences (Switzerland)
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Applied Sciences (Switzerland)
1 publication, 14.29%
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Journal of Structural Chemistry
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Journal of Structural Chemistry
1 publication, 14.29%
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Diamond and Related Materials
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Diamond and Related Materials
1 publication, 14.29%
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Materials Today Communications
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Materials Today Communications
1 publication, 14.29%
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Citations by publishers
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Elsevier
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Elsevier
3 publications, 42.86%
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Multidisciplinary Digital Publishing Institute (MDPI)
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Multidisciplinary Digital Publishing Institute (MDPI)
3 publications, 42.86%
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Pleiades Publishing
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Pleiades Publishing
1 publication, 14.29%
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3
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Krylova K. A. et al. Methodologyfor Molecular Dynamics Simulation of Plastic Deformation of a Nickel/Graphene Composite // Materials. 2022. Vol. 15. No. 11. p. 4038.
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Krylova K. A., Safina L. R., Shcherbinin S. A., Baimova J. Methodologyfor Molecular Dynamics Simulation of Plastic Deformation of a Nickel/Graphene Composite // Materials. 2022. Vol. 15. No. 11. p. 4038.
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TY - JOUR
DO - 10.3390/ma15114038
UR - https://doi.org/10.3390%2Fma15114038
TI - Methodologyfor Molecular Dynamics Simulation of Plastic Deformation of a Nickel/Graphene Composite
T2 - Materials
AU - Safina, Liliya R
AU - Shcherbinin, Stepan A
AU - Krylova, Karina A
AU - Baimova, J.A.
PY - 2022
DA - 2022/06/06 00:00:00
PB - Multidisciplinary Digital Publishing Institute (MDPI)
SP - 4038
IS - 11
VL - 15
PMID - 35683329
SN - 1996-1944
ER -
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@article{2022_Krylova,
author = {Liliya R Safina and Stepan A Shcherbinin and Karina A Krylova and J.A. Baimova},
title = {Methodologyfor Molecular Dynamics Simulation of Plastic Deformation of a Nickel/Graphene Composite},
journal = {Materials},
year = {2022},
volume = {15},
publisher = {Multidisciplinary Digital Publishing Institute (MDPI)},
month = {jun},
url = {https://doi.org/10.3390%2Fma15114038},
number = {11},
pages = {4038},
doi = {10.3390/ma15114038}
}
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Krylova, Karina A., et al. “Methodologyfor Molecular Dynamics Simulation of Plastic Deformation of a Nickel/Graphene Composite.” Materials, vol. 15, no. 11, Jun. 2022, p. 4038. https://doi.org/10.3390%2Fma15114038.