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Impacts of nanofiller shapes on the interface confinement effect in polymer nanocomposites

Guotong Wang, Ruijie Wang, Liya Wang, Chengyuan Wang Orcid Logo, Faling Zhang, Ziyu Wang, Chun Tang Orcid Logo

Composite Structures, Volume: 327, Start page: 117679

Swansea University Author: Chengyuan Wang Orcid Logo

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DOI (Published version): 10.1016/j.compstruct.2023.117679

Abstract

Shape effect of nanofillers (NFs) on the properties of nanocomposites has attracted considerable attention in recent research. The present study aims to examine how NF shapes influence the confinement effect of polymer-NF interface on the physical properties of nearby polymer (the interphase). Herei...

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Published in: Composite Structures
ISSN: 0263-8223
Published: Elsevier BV 2024
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URI: https://cronfa.swan.ac.uk/Record/cronfa64897
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spelling v2 64897 2023-11-02 Impacts of nanofiller shapes on the interface confinement effect in polymer nanocomposites fdea93ab99f51d0b3921d3601876c1e5 0000-0002-1001-2537 Chengyuan Wang Chengyuan Wang true false 2023-11-02 MECH Shape effect of nanofillers (NFs) on the properties of nanocomposites has attracted considerable attention in recent research. The present study aims to examine how NF shapes influence the confinement effect of polymer-NF interface on the physical properties of nearby polymer (the interphase). Herein molecular dynamics simulations are performed to capture the shift of interphase properties when NFs change from nanosphere to nanocylinder and nanofilm geometry. A stress analysis is then carried out in the interphase to identify a key parameter for characterizing the stress-property coupling and revealing the pathway of the NF shapes to impact the interphase properties. It is shown that the peak hydrostatic stress quantifies the effect of internal stresses on the properties of the interphase. Specifically, the shape transition considered can substantially enhance the peak by flattening the stress space in the interphase without largely affecting the polymer-NF interaction. Increased peak in turn upshifts the interphase properties and thus, leads to the coupling between the NF shapes and interface confinement effect. Journal Article Composite Structures 327 117679 Elsevier BV 0263-8223 1 1 2024 2024-01-01 10.1016/j.compstruct.2023.117679 http://dx.doi.org/10.1016/j.compstruct.2023.117679 COLLEGE NANME Mechanical Engineering COLLEGE CODE MECH Swansea University 2023-12-21T15:58:42.3540053 2023-11-02T08:32:13.7874827 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering Guotong Wang 1 Ruijie Wang 2 Liya Wang 3 Chengyuan Wang 0000-0002-1001-2537 4 Faling Zhang 5 Ziyu Wang 6 Chun Tang 0000-0002-7767-2126 7 64897__29149__253c32b535134edab04c2fb258a83a68.pdf 64897.pdf 2023-11-29T10:45:50.5490360 Output 1214516 application/pdf Accepted Manuscript true Author accepted manuscript document released under the terms of a Creative Commons CC-BY licence using the Swansea University Research Publications Policy (rights retention). true eng https://creativecommons.org/licenses/by/4.0/
title Impacts of nanofiller shapes on the interface confinement effect in polymer nanocomposites
spellingShingle Impacts of nanofiller shapes on the interface confinement effect in polymer nanocomposites
Chengyuan Wang
title_short Impacts of nanofiller shapes on the interface confinement effect in polymer nanocomposites
title_full Impacts of nanofiller shapes on the interface confinement effect in polymer nanocomposites
title_fullStr Impacts of nanofiller shapes on the interface confinement effect in polymer nanocomposites
title_full_unstemmed Impacts of nanofiller shapes on the interface confinement effect in polymer nanocomposites
title_sort Impacts of nanofiller shapes on the interface confinement effect in polymer nanocomposites
author_id_str_mv fdea93ab99f51d0b3921d3601876c1e5
author_id_fullname_str_mv fdea93ab99f51d0b3921d3601876c1e5_***_Chengyuan Wang
author Chengyuan Wang
author2 Guotong Wang
Ruijie Wang
Liya Wang
Chengyuan Wang
Faling Zhang
Ziyu Wang
Chun Tang
format Journal article
container_title Composite Structures
container_volume 327
container_start_page 117679
publishDate 2024
institution Swansea University
issn 0263-8223
doi_str_mv 10.1016/j.compstruct.2023.117679
publisher Elsevier BV
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering
url http://dx.doi.org/10.1016/j.compstruct.2023.117679
document_store_str 1
active_str 0
description Shape effect of nanofillers (NFs) on the properties of nanocomposites has attracted considerable attention in recent research. The present study aims to examine how NF shapes influence the confinement effect of polymer-NF interface on the physical properties of nearby polymer (the interphase). Herein molecular dynamics simulations are performed to capture the shift of interphase properties when NFs change from nanosphere to nanocylinder and nanofilm geometry. A stress analysis is then carried out in the interphase to identify a key parameter for characterizing the stress-property coupling and revealing the pathway of the NF shapes to impact the interphase properties. It is shown that the peak hydrostatic stress quantifies the effect of internal stresses on the properties of the interphase. Specifically, the shape transition considered can substantially enhance the peak by flattening the stress space in the interphase without largely affecting the polymer-NF interaction. Increased peak in turn upshifts the interphase properties and thus, leads to the coupling between the NF shapes and interface confinement effect.
published_date 2024-01-01T15:58:42Z
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score 11.013148

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