Polymers for Advanced Technologies, volume 32, issue 10, pages 3922-3933

Magnetoresponsive smart nanocomposites with highly cross-linked polymer matrix

Publication typeJournal Article
Publication date2021-04-29
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor3.4
ISSN10427147, 10991581
Polymers and Plastics
Abstract
We propose a coarse-grained model, which is used for mesoscale simulation of nanocomposites based on a highly cross-linked polymer network with embedded magnetic nanoparticles (MNPs) whose structure is represented as a set of connected magnetic dipoles. All the simulations are carried out with reactive dissipative particle dynamics, taking into account the interaction of MNPs with an external magnetic field. To study the effect of the spatial organization of MNPs, the network formation from polymerizing monomers is simulated both in the field and without it. Under the influence of the field, the nanoparticles are organized into filamentous aggregates that induce the anisotropic structure of the polymer matrix and affect the network topology. The stress–strain curves demonstrate that the ordering of MNPs also causes anisotropy of mechanical properties and leads to an increase in Young's modulus for uniaxial tension along the long aggregate axis. When monomers polymerize in the presence of MNPs at zero applied field, the filler particles remain disordered and Young's modulus of such a composite can exhibit a weak linear decrease with increasing filler content. This behavior is well attributed to the reduction in the number of load-bearing chains in the simulation box. Additionally, the role of the polymer/MNP interface is studied. To this end, the corresponding interaction parameters are varied. It is found that the interface can provide an additional contribution to the tensile rigidity of composites.

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Komarov P. V. et al. Magnetoresponsive smart nanocomposites with highly cross-linked polymer matrix // Polymers for Advanced Technologies. 2021. Vol. 32. No. 10. pp. 3922-3933.
GOST all authors (up to 50) Copy
Komarov P. V., Khalatur P. G., Khokhlov A. R. Magnetoresponsive smart nanocomposites with highly cross-linked polymer matrix // Polymers for Advanced Technologies. 2021. Vol. 32. No. 10. pp. 3922-3933.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1002/pat.5354
UR - https://doi.org/10.1002%2Fpat.5354
TI - Magnetoresponsive smart nanocomposites with highly cross-linked polymer matrix
T2 - Polymers for Advanced Technologies
AU - Komarov, Pavel V.
AU - Khalatur, Pavel G
AU - Khokhlov, Alexei R.
PY - 2021
DA - 2021/04/29 00:00:00
PB - Wiley
SP - 3922-3933
IS - 10
VL - 32
SN - 1042-7147
SN - 1099-1581
ER -
BibTex |
Cite this
BibTex Copy
@article{2021_Komarov
author = {Pavel V. Komarov and Pavel G Khalatur and Alexei R. Khokhlov},
title = {Magnetoresponsive smart nanocomposites with highly cross-linked polymer matrix},
journal = {Polymers for Advanced Technologies},
year = {2021},
volume = {32},
publisher = {Wiley},
month = {apr},
url = {https://doi.org/10.1002%2Fpat.5354},
number = {10},
pages = {3922--3933},
doi = {10.1002/pat.5354}
}
MLA
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MLA Copy
Komarov, Pavel V., et al. “Magnetoresponsive smart nanocomposites with highly cross-linked polymer matrix.” Polymers for Advanced Technologies, vol. 32, no. 10, Apr. 2021, pp. 3922-3933. https://doi.org/10.1002%2Fpat.5354.
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