Tailoring the mechanical properties of polymer nanocomposites via interfacial engineering

Naishen Gao, Guanyi Hou, Jun Liu (Corresponding author), Jianxiang Shen, Yangyang Gao, Alexey Lyulin (Corresponding author), Liqun Zhang

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Uittreksel

The improvement of mechanical properties of polymer nanocomposites (PNCs) has been studied for many years, with the main focus on the structure of the nanofillers. Much less effort has been devoted to unraveling the factors controlling the structure of the grafted chains. Herein, through coarse-grained molecular-dynamics simulations, we have successfully fabricated an ideal, mechanically-interlocked composite structure composed of end-functionalized chains grafted to the nanoparticle surface forming rings and making the matrix chains thread through these rings. Depending on the details of the grafting, the reinforcement effect can be remarkable, improving the tensile stress of the system significantly up to 700%. Meanwhile, anisotropy of the system's mechanical response is also observed. Furthermore, the influence of the grafted chain distribution on the mechanical properties of the system has been investigated as well. We observe that the mechanical properties of the system are closely related to the total number of the beads in the grafted chains or the synergistic effect between the length and density of the grafted chains leads to no significant difference in the performance of systems. At constant grafting density, the mechanical properties of the systems correlate negatively to the grafted chain length. In general, our study should help to design and fabricate high-performance PNCs with excellent mechanical properties.

TaalEngels
Pagina's18714-18726
TijdschriftPhysical Chemistry Chemical Physics
Volume21
Nummer van het tijdschrift34
Vroegere onlinedatum19 aug 2019
DOI's
StatusGepubliceerd - 1 sep 2019

Vingerafdruk

Nanocomposites
nanocomposites
Polymers
engineering
mechanical properties
Mechanical properties
polymers
Composite structures
Chain length
Tensile stress
Molecular dynamics
Reinforcement
threads
rings
Anisotropy
composite structures
reinforcement
tensile stress
Nanoparticles
beads

Citeer dit

Gao, Naishen ; Hou, Guanyi ; Liu, Jun ; Shen, Jianxiang ; Gao, Yangyang ; Lyulin, Alexey ; Zhang, Liqun. / Tailoring the mechanical properties of polymer nanocomposites via interfacial engineering. In: Physical Chemistry Chemical Physics. 2019 ; Vol. 21, Nr. 34. blz. 18714-18726
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title = "Tailoring the mechanical properties of polymer nanocomposites via interfacial engineering",
abstract = "The improvement of mechanical properties of polymer nanocomposites (PNCs) has been studied for many years, with the main focus on the structure of the nanofillers. Much less effort has been devoted to unraveling the factors controlling the structure of the grafted chains. Herein, through coarse-grained molecular-dynamics simulations, we have successfully fabricated an ideal, mechanically-interlocked composite structure composed of end-functionalized chains grafted to the nanoparticle surface forming rings and making the matrix chains thread through these rings. Depending on the details of the grafting, the reinforcement effect can be remarkable, improving the tensile stress of the system significantly up to 700{\%}. Meanwhile, anisotropy of the system's mechanical response is also observed. Furthermore, the influence of the grafted chain distribution on the mechanical properties of the system has been investigated as well. We observe that the mechanical properties of the system are closely related to the total number of the beads in the grafted chains or the synergistic effect between the length and density of the grafted chains leads to no significant difference in the performance of systems. At constant grafting density, the mechanical properties of the systems correlate negatively to the grafted chain length. In general, our study should help to design and fabricate high-performance PNCs with excellent mechanical properties.",
author = "Naishen Gao and Guanyi Hou and Jun Liu and Jianxiang Shen and Yangyang Gao and Alexey Lyulin and Liqun Zhang",
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Gao, N, Hou, G, Liu, J, Shen, J, Gao, Y, Lyulin, A & Zhang, L 2019, 'Tailoring the mechanical properties of polymer nanocomposites via interfacial engineering' Physical Chemistry Chemical Physics, vol. 21, nr. 34, blz. 18714-18726. DOI: 10.1039/c9cp02948f

Tailoring the mechanical properties of polymer nanocomposites via interfacial engineering. / Gao, Naishen; Hou, Guanyi; Liu, Jun (Corresponding author); Shen, Jianxiang; Gao, Yangyang; Lyulin, Alexey (Corresponding author); Zhang, Liqun.

In: Physical Chemistry Chemical Physics, Vol. 21, Nr. 34, 01.09.2019, blz. 18714-18726.

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

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