石墨烯纳米板增强聚二甲基硅氧烷纳米复合材料的动力学响应:分子动力学研究

IF 1.8 4区 工程技术 Q3 POLYMER SCIENCE
Zheng Li, Tong Li, Ke Zhang, Bo Wang
{"title":"石墨烯纳米板增强聚二甲基硅氧烷纳米复合材料的动力学响应:分子动力学研究","authors":"Zheng Li,&nbsp;Tong Li,&nbsp;Ke Zhang,&nbsp;Bo Wang","doi":"10.1002/mats.202300021","DOIUrl":null,"url":null,"abstract":"<p>Molecular dynamics method is employed to characterize the mechanical properties of polydimethylsiloxane (PDMS) materials reinforced by graphene nanoplatelets (GNPs). Modeling results demonstrate that the addition of GNPs to PDMS significantly improves the damping properties of PDMS at high temperatures. The underlying physical mechanism is further investigated, and it is found that the interfacial interactions between the GNPs and PDMS play a crucial role in the energy dissipation capabilities. At elevated temperatures, a decrease in the interaction energy between the GNPs and PDMS matrix is observed, increasing the interfacial shipment, and improving the energy dissipation. In addition, GNPs will reflect more impact energy at a higher temperature. This study provides valuable insights into the use of GNPs for the improvement of the damping performance of PDMS materials at high temperatures.</p>","PeriodicalId":18157,"journal":{"name":"Macromolecular Theory and Simulations","volume":null,"pages":null},"PeriodicalIF":1.8000,"publicationDate":"2023-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Dynamics Responses of Graphene Nanoplatelets-Reinforced Polydimethylsiloxane Nanocomposites: A Molecular Dynamics Study\",\"authors\":\"Zheng Li,&nbsp;Tong Li,&nbsp;Ke Zhang,&nbsp;Bo Wang\",\"doi\":\"10.1002/mats.202300021\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Molecular dynamics method is employed to characterize the mechanical properties of polydimethylsiloxane (PDMS) materials reinforced by graphene nanoplatelets (GNPs). Modeling results demonstrate that the addition of GNPs to PDMS significantly improves the damping properties of PDMS at high temperatures. The underlying physical mechanism is further investigated, and it is found that the interfacial interactions between the GNPs and PDMS play a crucial role in the energy dissipation capabilities. At elevated temperatures, a decrease in the interaction energy between the GNPs and PDMS matrix is observed, increasing the interfacial shipment, and improving the energy dissipation. In addition, GNPs will reflect more impact energy at a higher temperature. This study provides valuable insights into the use of GNPs for the improvement of the damping performance of PDMS materials at high temperatures.</p>\",\"PeriodicalId\":18157,\"journal\":{\"name\":\"Macromolecular Theory and Simulations\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2023-05-31\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Macromolecular Theory and Simulations\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/mats.202300021\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"POLYMER SCIENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Macromolecular Theory and Simulations","FirstCategoryId":"5","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/mats.202300021","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"POLYMER SCIENCE","Score":null,"Total":0}
引用次数: 0

摘要

采用分子动力学方法对石墨烯纳米片增强聚二甲基硅氧烷(PDMS)材料的力学性能进行了表征。建模结果表明,在PDMS中添加GNP显著改善了PDMS在高温下的阻尼性能。进一步研究了潜在的物理机制,发现GNP和PDMS之间的界面相互作用在能量耗散能力中起着至关重要的作用。在升高的温度下,观察到GNP和PDMS基体之间的相互作用能降低,增加了界面运输,并改善了能量耗散。此外,GNP将在更高的温度下反映更多的冲击能量。这项研究为使用GNP改善PDMS材料在高温下的阻尼性能提供了有价值的见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Dynamics Responses of Graphene Nanoplatelets-Reinforced Polydimethylsiloxane Nanocomposites: A Molecular Dynamics Study

Dynamics Responses of Graphene Nanoplatelets-Reinforced Polydimethylsiloxane Nanocomposites: A Molecular Dynamics Study

Molecular dynamics method is employed to characterize the mechanical properties of polydimethylsiloxane (PDMS) materials reinforced by graphene nanoplatelets (GNPs). Modeling results demonstrate that the addition of GNPs to PDMS significantly improves the damping properties of PDMS at high temperatures. The underlying physical mechanism is further investigated, and it is found that the interfacial interactions between the GNPs and PDMS play a crucial role in the energy dissipation capabilities. At elevated temperatures, a decrease in the interaction energy between the GNPs and PDMS matrix is observed, increasing the interfacial shipment, and improving the energy dissipation. In addition, GNPs will reflect more impact energy at a higher temperature. This study provides valuable insights into the use of GNPs for the improvement of the damping performance of PDMS materials at high temperatures.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Macromolecular Theory and Simulations
Macromolecular Theory and Simulations 工程技术-高分子科学
CiteScore
3.00
自引率
14.30%
发文量
45
审稿时长
2 months
期刊介绍: Macromolecular Theory and Simulations is the only high-quality polymer science journal dedicated exclusively to theory and simulations, covering all aspects from macromolecular theory to advanced computer simulation techniques.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信