Thermal Transport at Interface Between Single-Layer Graphene and Water Film

GF Chen and J Chen and ZL Wang, INTERNATIONAL JOURNAL OF THERMOPHYSICS, 41, 48 (2020).

DOI: 10.1007/s10765-020-02629-4

Through a series of molecular dynamics (MD) simulations, the interfacial thermal transport between liquid water and single-layer graphene film on the silicon substrate was studied. Three factors were justified for the interfacial thermal transport including interfacial interaction strength, water film thickness and water density. The results show that the interfacial heat transport capacity exhibits a significant dependence on the interaction strength, and this change in interfacial thermal conductance (ITC) was verified by calculating the vibrational density of states (VDOS). Meanwhile, dramatic oscillation was observed in the density of the liquid water near the wall, indicating that the motion law of water molecules was affected by the interaction force at the interface. Further study on the effect of water film thickness and density on the interfacial thermal transport, it is found that there is a critical value for the ITC with the change of water film thickness. When the water film thickness is greater than 4 nm, the effect on the interfacial thermal transport is not obvious, and the ITC gradually tends to a stable value. However, for the liquid water density, the ITC basically shows an increasing trend with the increase of density. In addition, the solid-liquid interface spacing was found to be variability and the distance is determined by the thickness and density of the water film.

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