T0501-1-1 A Molecular Dynamics Study of Influential Factors on Interfacial Thermal Resistance at Solid-Liquid Interface Modified by Self-Assembled Monolayer

Abstract

We studied the influential factors on heat transfer at Au-toluene interface modified by dodecanethiol self-assembled monolayer (SAM). The thermal boundary conductance was calculated for different temperatures using nonequilibrium molecular dynamics simulation. As a result, the overall thermal boundary conductance at Au-SAM-toluene interface decreases as the temperature increases. We analyzed the temperature dependence of SAM structure and discussed the relation between SAM structure and thermal boundary conductance.