{"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, Tong Li, Ke Zhang, 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, Tong Li, Ke Zhang, 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}
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.
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.