Dual role of two-dimensional graphene in silica aerogel composite: Thermal resistance and heat node

Abstract

Incorporating two-dimensional graphene sheets, known for their high in-plane thermal conductivity, into silica aerogel enhances both the thermal insulation and mechanical properties of the composite. This work delves into the impact of graphene doping on the solid thermal conductivity of silica composites and their mechanical characteristics, employing molecular dynamics simulations that encompass both amorphous silica bulk and porous silica aerogel structures. Our findings reveal that graphene–silica interface thermal resistance notably restricts heat conduction in graphene doped silica aerogel, with the most pronounced effect occurring when graphene aligns vertically with the heat flux. Within porous silica aerogel, graphene serves as a “heat node”, bridging and connecting adjacent pores. A notable “trade-off” emerges: high weight percentages of graphene sheets augment heat transfer through the “heat node effect”, whereas the interfacial thermal resistance between graphene and aerogel reduces solid heat transfer, leading to decreased thermal conductivity. Additionally, while the inclusion of graphene sheets offers limited mechanical property enhancements, their two-dimensional structure can cause detachment and slipping from the silica matrix, leading to localized improvements in mechanical strength. This work sets the stage for advancing graphene-based aerogel composites characterized by low thermal conductivity and enhanced mechanical properties.