Huanzhi Song , Youzhe Yang , Richard (Chunhui) Yang , Jie Yang , Yingyan Zhang
{"title":"石墨烯折纸/石蜡纳米复合材料传热性能的分子动力学研究","authors":"Huanzhi Song , Youzhe Yang , Richard (Chunhui) Yang , Jie Yang , Yingyan Zhang","doi":"10.1016/j.coco.2025.102532","DOIUrl":null,"url":null,"abstract":"<div><div>Graphene/paraffin nanocomposites are promising thermal interface materials (TIMs) for heat dissipation in electronic devices with graphene's high thermal conductivity (TC) and paraffin's easy processing. Recent research on graphene-based polymer nanocomposites mainly focuses on TC improvement via interface engineering. Authors' previous studies proved that origami-inspired structural modification not only improves the flexibility of graphene, but also the interfacial strength in polymer nanocomposites. In this research, we report the first study on the heat transfer performance of graphene origami (GOri) reinforced polymer matrix using molecular dynamics (MD) simulations. The MD simulations reveal that GOri enhances the TC at the GOri/polymer interface by 228 % compared to the pristine graphene fillers. This significant TC improvement is attributed to the strong interfacial interactions and phonon coupling at the filler-matrix interfaces provided by the GOri morphology. However, the in-plane TC of the nanocomposites is reduced due to the presence of creases and sp<sup>3</sup> C-H bonds in GOri, as these features increase phonon scattering. Our findings indicate that GOri is an efficient thermal conductive filler for polymer nanocomposite and offers new design strategies for advanced polymer-based TIMs.</div></div>","PeriodicalId":10533,"journal":{"name":"Composites Communications","volume":"58 ","pages":"Article 102532"},"PeriodicalIF":7.7000,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Investigation on heat transfer performance of graphene origami/paraffin nanocomposites using molecular dynamics\",\"authors\":\"Huanzhi Song , Youzhe Yang , Richard (Chunhui) Yang , Jie Yang , Yingyan Zhang\",\"doi\":\"10.1016/j.coco.2025.102532\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Graphene/paraffin nanocomposites are promising thermal interface materials (TIMs) for heat dissipation in electronic devices with graphene's high thermal conductivity (TC) and paraffin's easy processing. Recent research on graphene-based polymer nanocomposites mainly focuses on TC improvement via interface engineering. Authors' previous studies proved that origami-inspired structural modification not only improves the flexibility of graphene, but also the interfacial strength in polymer nanocomposites. In this research, we report the first study on the heat transfer performance of graphene origami (GOri) reinforced polymer matrix using molecular dynamics (MD) simulations. The MD simulations reveal that GOri enhances the TC at the GOri/polymer interface by 228 % compared to the pristine graphene fillers. This significant TC improvement is attributed to the strong interfacial interactions and phonon coupling at the filler-matrix interfaces provided by the GOri morphology. However, the in-plane TC of the nanocomposites is reduced due to the presence of creases and sp<sup>3</sup> C-H bonds in GOri, as these features increase phonon scattering. Our findings indicate that GOri is an efficient thermal conductive filler for polymer nanocomposite and offers new design strategies for advanced polymer-based TIMs.</div></div>\",\"PeriodicalId\":10533,\"journal\":{\"name\":\"Composites Communications\",\"volume\":\"58 \",\"pages\":\"Article 102532\"},\"PeriodicalIF\":7.7000,\"publicationDate\":\"2025-07-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Composites Communications\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2452213925002852\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, COMPOSITES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Composites Communications","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2452213925002852","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, COMPOSITES","Score":null,"Total":0}
Investigation on heat transfer performance of graphene origami/paraffin nanocomposites using molecular dynamics
Graphene/paraffin nanocomposites are promising thermal interface materials (TIMs) for heat dissipation in electronic devices with graphene's high thermal conductivity (TC) and paraffin's easy processing. Recent research on graphene-based polymer nanocomposites mainly focuses on TC improvement via interface engineering. Authors' previous studies proved that origami-inspired structural modification not only improves the flexibility of graphene, but also the interfacial strength in polymer nanocomposites. In this research, we report the first study on the heat transfer performance of graphene origami (GOri) reinforced polymer matrix using molecular dynamics (MD) simulations. The MD simulations reveal that GOri enhances the TC at the GOri/polymer interface by 228 % compared to the pristine graphene fillers. This significant TC improvement is attributed to the strong interfacial interactions and phonon coupling at the filler-matrix interfaces provided by the GOri morphology. However, the in-plane TC of the nanocomposites is reduced due to the presence of creases and sp3 C-H bonds in GOri, as these features increase phonon scattering. Our findings indicate that GOri is an efficient thermal conductive filler for polymer nanocomposite and offers new design strategies for advanced polymer-based TIMs.
期刊介绍:
Composites Communications (Compos. Commun.) is a peer-reviewed journal publishing short communications and letters on the latest advances in composites science and technology. With a rapid review and publication process, its goal is to disseminate new knowledge promptly within the composites community. The journal welcomes manuscripts presenting creative concepts and new findings in design, state-of-the-art approaches in processing, synthesis, characterization, and mechanics modeling. In addition to traditional fiber-/particulate-reinforced engineering composites, it encourages submissions on composites with exceptional physical, mechanical, and fracture properties, as well as those with unique functions and significant application potential. This includes biomimetic and bio-inspired composites for biomedical applications, functional nano-composites for thermal management and energy applications, and composites designed for extreme service environments.