Interfacial Thermal Resistance in Nanoscale Heat Transfer

We investigate nanoscale thermal transport across a solid-fluid interface using molecular dynamics simulations. Cooler fluid argon (Ar) is placed between two heated iron (Fe) walls, thereby imposing a temperature gradient within the system. Fluid-fluid and solid-fluid interactions are modeled with Lennard-Jones potential parameters, while Embedded Atom Method (EAM) is used to describe the interactions between solid molecules. The Fe-Ar interaction causes ordering of fluid molecules into quasi-crystalline layers near the walls. This causes temperature discontinuity between these solid-like Ar molecules and the adjacent fluid. The time evolution of the interfacial (Kapitza) thermal resistance (R_k) and Kapitza length (L_k) are observed. The averaged Kapitza resistance (R_k,av) varies with the initial temperature difference between the wall and the fluid (ΔT_w) as $Rk,av∝ΔTw−0.82$⁠.