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Active responses of nanoparticle-polymer interface/interphase via the interfacial interaction redistribution
International Journal of Mechanical Sciences, Volume: 243, Start page: 108030
Swansea University Author: Chengyuan Wang
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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...
Published in: | International Journal of Mechanical Sciences |
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ISSN: | 0020-7403 |
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Elsevier BV
2023
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URI: | https://cronfa.swan.ac.uk/Record/cronfa62178 |
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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 ACEM 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 Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM 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) 2024-07-23T17:16:23.6758361 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 62178__26090__260b57645db4405aac9179c4c74a8a83.pdf 62178.pdf 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 |
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Faculty of Science and Engineering |
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Faculty of Science and Engineering |
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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 |
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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 |
2023-04-01T17:16:21Z |
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1805387177113157632 |
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11.028599 |