Open Access
Polymers, volume 10, issue 7, pages 792
Dynamic and static mechanical properties of crosslinked polymer matrices: Multiscale simulations and experiments
Guseva Daria
1
,
Rudyak Vladimir
1
,
Komarov Pavel
2, 3
,
Bulgakov Boris
4, 5
,
Babkin Alexander
4, 5
,
1
4
Institute of New Carbon Materials and Technologies, Leninskie gory, 1-11, 119991 Moscow, Russia
|
Publication type: Journal Article
Publication date: 2018-07-19
PubMed ID:
30960717
General Chemistry
Polymers and Plastics
Abstract
We studied the static and dynamic mechanical properties of crosslinked polymer matrices using multiscale simulations and experiments. We continued to develop the multiscale methodology for generating atomistic polymer networks, and applied it to the case of phthalonitrile resin. The mechanical properties of the resulting networks were analyzed using atomistic molecular dynamics (MD) and dissipative particle dynamics (DPD). The Young’s and storage moduli increased with conversion, due both to the appearance of a network of covalent bonds, and to freezing of degrees of freedom and lowering of the glass transition temperature during crosslinking. The simulations’ data showed good quantitative agreement with experimental dynamic mechanical analysis measurements at temperatures below the glass transition. The data obtained in MD and DPD simulations at elevated temperatures were conformable. This makes it possible to use the suggested approach for the prediction of mechanical properties of a broad range of polymer matrices, including ones with high structural heterogeneity.
Citations by journals
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1
2
3
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Polymers
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Polymers
3 publications, 20%
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Materials
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Materials
2 publications, 13.33%
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Reactive and Functional Polymers
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Reactive and Functional Polymers
1 publication, 6.67%
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Polymers for Advanced Technologies
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Polymers for Advanced Technologies
1 publication, 6.67%
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Computational Materials Science
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Computational Materials Science
1 publication, 6.67%
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Materials Science and Engineering: R: Reports
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Materials Science and Engineering: R: Reports
1 publication, 6.67%
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Angewandte Chemie
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Angewandte Chemie
1 publication, 6.67%
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Angewandte Chemie - International Edition
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Angewandte Chemie - International Edition
1 publication, 6.67%
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Macromolecular Materials and Engineering
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Macromolecular Materials and Engineering
1 publication, 6.67%
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Molecular Systems Design and Engineering
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Molecular Systems Design and Engineering
1 publication, 6.67%
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Physical Review Materials
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Physical Review Materials
1 publication, 6.67%
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Russian Chemical Reviews
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Russian Chemical Reviews
1 publication, 6.67%
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1
2
3
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Citations by publishers
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1
2
3
4
5
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Multidisciplinary Digital Publishing Institute (MDPI)
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Multidisciplinary Digital Publishing Institute (MDPI)
5 publications, 33.33%
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Wiley
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Wiley
4 publications, 26.67%
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Elsevier
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Elsevier
3 publications, 20%
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Royal Society of Chemistry (RSC)
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Royal Society of Chemistry (RSC)
1 publication, 6.67%
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American Physical Society (APS)
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American Physical Society (APS)
1 publication, 6.67%
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 6.67%
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1
2
3
4
5
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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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Guseva D. et al. Dynamic and static mechanical properties of crosslinked polymer matrices: Multiscale simulations and experiments // Polymers. 2018. Vol. 10. No. 7. p. 792.
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Guseva D., Rudyak V., Komarov P., Bulgakov B., Babkin A., Chertovich A. Dynamic and static mechanical properties of crosslinked polymer matrices: Multiscale simulations and experiments // Polymers. 2018. Vol. 10. No. 7. p. 792.
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TY - JOUR
DO - 10.3390/polym10070792
UR - https://doi.org/10.3390%2Fpolym10070792
TI - Dynamic and static mechanical properties of crosslinked polymer matrices: Multiscale simulations and experiments
T2 - Polymers
AU - Guseva, Daria
AU - Rudyak, Vladimir
AU - Komarov, Pavel
AU - Bulgakov, Boris
AU - Babkin, Alexander
AU - Chertovich, Alexander
PY - 2018
DA - 2018/07/19 00:00:00
PB - Multidisciplinary Digital Publishing Institute (MDPI)
SP - 792
IS - 7
VL - 10
PMID - 30960717
SN - 2073-4360
ER -
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@article{2018_Guseva,
author = {Daria Guseva and Vladimir Rudyak and Pavel Komarov and Boris Bulgakov and Alexander Babkin and Alexander Chertovich},
title = {Dynamic and static mechanical properties of crosslinked polymer matrices: Multiscale simulations and experiments},
journal = {Polymers},
year = {2018},
volume = {10},
publisher = {Multidisciplinary Digital Publishing Institute (MDPI)},
month = {jul},
url = {https://doi.org/10.3390%2Fpolym10070792},
number = {7},
pages = {792},
doi = {10.3390/polym10070792}
}
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Guseva, Daria, et al. “Dynamic and static mechanical properties of crosslinked polymer matrices: Multiscale simulations and experiments.” Polymers, vol. 10, no. 7, Jul. 2018, p. 792. https://doi.org/10.3390%2Fpolym10070792.