Zhu, Chenyang; Chen, Long; Shen, Yeqin; Wang, Yongsheng; Liu, Chaozong; (2025) Molecular dynamics simulation and experimental investigation on heat transfer performance of arranged shape memory GO/EP composites. International Journal of Thermal Sciences , 207 , Article 109395. 10.1016/j.ijthermalsci.2024.109395.

Text Liu_Molecular dynamics simulation-2024.pdf Access restricted to UCL open access staff until 6 September 2025. Download (1MB)

Abstract

In this study, the untapped potential of arranged shape memory GO/EP composites was delved into, showcasing the enhanced thermo-mechanical attribute. A novel fabrication technique for these composites was introduced, harnessing the synergistic application of perpendicular electric and magnetic fields to achieve GO alignment with precision. At a minimal GO content of 1 wt%, the arranged shape memory GO/EP composites exhibited an impressive shape recovery rate of 95.0 % along the X-axis, coupled with an exceptional shape retention rate of 98.0 %. The research unveiled GO's dual functionality: it acted not only as a reinforcing agent but also as a conduit for heat transfer, thereby amplifying thermal conductivity and efficiency. The arranged GO stood out by significantly outperforming its randomly dispersed counterparts in heat transfer capabilities, a discovery with profound implications for thermal management applications. To demystify the underlying mechanisms, the finite element analysis and molecular dynamics simulations were employed. The findings revealed that graphene significantly stabilized the thermally relaxed molecules of EP, effectively reducing the intermolecular distances and thus enhancing the composite's shape recovery prowess.

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