Molecular dynamics investigation of argon evaporation on copper surfaces covered with graphene and carbon nanotubes

Abstract

The recent advancements in nanoscience have led to a significant improvement in surface characteristics, which play a critical role in heat transfer. In this study, the heat transfer of modified copper-based surfaces covered with graphene sheets and carbon nanotubes (CNTs) is investigated using molecular dynamics method, and compared with the heat transfer of a simple copper surface. To modify the surfaces, various numbers of carbon nanotubes with different heights are used. Investigations are conducted on the dynamics of liquid argon clusters, the distribution of argon density, temperature changes, and the phase transition from liquid to the gas. In comparison to the pre-defined reference surface, heat transfer shows an improvement for the copper-based surface coated with graphene platelets. Similarly, simulation results indicate that the increase in both the quantity and height of carbon nanotubes leads to the enhancement of the heat transfer of the surface. Additionally, it is found that, when CNTs are inserted on a surface, a shorter time is required for liquid argon to reach the temperature of solid surface.