Molecular dynamics study on the impact of surface nanostructures and interfacial coupling strength on thermal transport at the Cu-water interface

Abstract

The thermal transport at the solid-liquid interface at the nanoscale plays a crucial role in the fields of micro-nano devices, chips and nanofluids. However, the microscopic mechanism of thermal transport at the solid-liquid interface, especially considering the influence of surface nanostructures and interface coupling strength, is still unclear. In this study, the interfacial thermal transport in Cu-water confined nanochannels is studied based on Molecular Dynamics simulation. Research indicates that interface thermal transport can be enhanced by introducing surface nanostructures and changing interface coupling strength. The interfacial thermal conductance increases monotonically with the height of the nanostructure, and this trend becomes more pronounced under strong liquid interaction. Under the strong solid-liquid interaction, more water molecules are adsorbed on the Cu surface, forming a more stable adsorption layer, thereby strengthening the solid-liquid interface vibration coupling thermal transport effect. This study provides valuable insights for improving the heat conduction efficiency in confined nanochannels.