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Active responses of nanoparticle-polymer interface/interphase via the interfacial interaction redistribution

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

International Journal of Mechanical Sciences, Volume: 243, Start page: 108030

Swansea University Author: Chengyuan Wang Orcid Logo

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DOI (Published version): 10.1016/j.ijmecsci.2022.108030

Abstract

Physical responses of nanoparticle (NP)-polymer interphase/interface to external stimulus is a topic of great interest in nanocomposites. Previously, the interphase was tacitly assumed to have passive responses with constant material properties during deformation while the interface was mainly studi...

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Published in: International Journal of Mechanical Sciences
ISSN: 0020-7403
Published: Elsevier BV 2023
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URI: https://cronfa.swan.ac.uk/Record/cronfa62178
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first_indexed 2022-12-15T15:21:10Z
last_indexed 2023-01-13T19:23:28Z
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spelling 2022-12-30T12:59:30.8783352 v2 62178 2022-12-15 Active responses of nanoparticle-polymer interface/interphase via the interfacial interaction redistribution fdea93ab99f51d0b3921d3601876c1e5 0000-0002-1001-2537 Chengyuan Wang Chengyuan Wang true false 2022-12-15 MECH Physical responses of nanoparticle (NP)-polymer interphase/interface to external stimulus is a topic of great interest in nanocomposites. Previously, the interphase was tacitly assumed to have passive responses with constant material properties during deformation while the interface was mainly studied under hydrostatic loadings. To explore the unique features of the interphase we used a full-atom molecular dynamics simulation to monitor the evolution of its mass density and atomic stress profiles during deformation. A cohesive zone model was then used to define the key parameters for the NP-polymer interaction, which enable one to study the responses of the interface without spherical symmetry and understand the unique behavior of the stretched interphase/interface. The conceptual change has been achieved showing that an external strain can redistribute the NP-polymer interaction to affect the high compression in the interphase, the physical origin of the interface confinement effect in the nanocomposite. This eventually triggers the active responses of the interphase leading to the apparent strain-dependence of the mass density and some other properties. The redistribution of the interfacial interaction also brings about the stable, metastable and unstable status of the stretched interface characterized by the strain-dependent modulus and interface debonding. Journal Article International Journal of Mechanical Sciences 243 108030 Elsevier BV 0020-7403 Nanoparticle-polymer interphase/interface; Cohesive zone model; Molecular dynamics simulations; Strain-dependent interphase properties; Nonlinear behavior of interface 1 4 2023 2023-04-01 10.1016/j.ijmecsci.2022.108030 COLLEGE NANME Mechanical Engineering COLLEGE CODE MECH Swansea University This work was supported by the National Natural Science Foundation of China (Grant no. 12072134) and Jiangsu Funding Program for Excellent Postdoctoral Talent (Grant no. 2022ZB664) 2022-12-30T12:59:30.8783352 2022-12-15T15:12:36.8602408 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering Guotong Wang 1 Ruijie Wang 2 Chengyuan Wang 0000-0002-1001-2537 3 Chun Tang 0000-0002-7767-2126 4 Faling Zhang 5 Under embargo Under embargo 2022-12-15T15:20:37.8066038 Output 2523120 application/pdf Accepted Manuscript true 2023-12-12T00:00:00.0000000 ©2022 All rights reserved. All article content, except where otherwise noted, is licensed under a Creative Commons Attribution Non-Commercial No Derivatives License (CC-BY-NC-ND) true eng https://creativecommons.org/licenses/by-nc-nd/4.0/
title Active responses of nanoparticle-polymer interface/interphase via the interfacial interaction redistribution
spellingShingle Active responses of nanoparticle-polymer interface/interphase via the interfacial interaction redistribution
Chengyuan Wang
title_short Active responses of nanoparticle-polymer interface/interphase via the interfacial interaction redistribution
title_full Active responses of nanoparticle-polymer interface/interphase via the interfacial interaction redistribution
title_fullStr Active responses of nanoparticle-polymer interface/interphase via the interfacial interaction redistribution
title_full_unstemmed Active responses of nanoparticle-polymer interface/interphase via the interfacial interaction redistribution
title_sort Active responses of nanoparticle-polymer interface/interphase via the interfacial interaction redistribution
author_id_str_mv fdea93ab99f51d0b3921d3601876c1e5
author_id_fullname_str_mv fdea93ab99f51d0b3921d3601876c1e5_***_Chengyuan Wang
author Chengyuan Wang
author2 Guotong Wang
Ruijie Wang
Chengyuan Wang
Chun Tang
Faling Zhang
format Journal article
container_title International Journal of Mechanical Sciences
container_volume 243
container_start_page 108030
publishDate 2023
institution Swansea University
issn 0020-7403
doi_str_mv 10.1016/j.ijmecsci.2022.108030
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
document_store_str 0
active_str 0
description Physical responses of nanoparticle (NP)-polymer interphase/interface to external stimulus is a topic of great interest in nanocomposites. Previously, the interphase was tacitly assumed to have passive responses with constant material properties during deformation while the interface was mainly studied under hydrostatic loadings. To explore the unique features of the interphase we used a full-atom molecular dynamics simulation to monitor the evolution of its mass density and atomic stress profiles during deformation. A cohesive zone model was then used to define the key parameters for the NP-polymer interaction, which enable one to study the responses of the interface without spherical symmetry and understand the unique behavior of the stretched interphase/interface. The conceptual change has been achieved showing that an external strain can redistribute the NP-polymer interaction to affect the high compression in the interphase, the physical origin of the interface confinement effect in the nanocomposite. This eventually triggers the active responses of the interphase leading to the apparent strain-dependence of the mass density and some other properties. The redistribution of the interfacial interaction also brings about the stable, metastable and unstable status of the stretched interface characterized by the strain-dependent modulus and interface debonding.
published_date 2023-04-01T04:21:36Z
_version_ 1763754425667551232
score 11.013148

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