MNM-5A-6 自己組織化単分子膜を修飾した固液界面における界面熱コンダクタンスの温度依存性の分子論的研究(セッション 5A ナノ・マイクロ異相界面センシングと制御)

Abstract

We studied influential factors in heat transfer characteristics at the Au-toluene interface modified by dodecanethiol self-assembled monolayer (SAM) using nonequilibrium molecular dynamics simulation. The thermal boundary conductances of Au-SAM-toluene interface for different temperature were evaluated. As a result, the overall thermal boundary conductance tends to decrease as the temperature increases. This is partly because the depth of the hollow on the SAM surface becomes small and the probability density of toluene at the hollow site becomes lower as the temperature increases.