Study of Kapitza Resistance in Nano-Confined Fluids

This thesis uses molecular dynamics (MD) simulations to investigate the Kapitza resistance in nano-confined fluids using molecular dynamics (MD) simulations. A method based on linear response theory, which follows a fundamental approach in statistical mechanics, has been developed to calculate the Kapitza resistance in solid-fluid interfaces with the help of equilibrium MD simulations. The proposed method is used to study the molecular-level mechanisms of interfacial heat transfer and various factors affecting the Kapitza resistance. The present study provides a clear understanding of the molecular level mechanism of interfacial heat transfer in various solid-fluid interfaces.