非平衡分子動力学法を用いた親水性末端基を有する自己組織化膜と水の界面熱抵抗の解析(<小特集>第1回マイクロ・ナノ工学シンポジウム)

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The influence of 11-mercapoundecanol (-S(CH_2)_<11>OH) self-assembled monolayer (SAM) on the interfacial thermal resistance at the interface of Au(111) and water was investigated using nonequilibrium molecular dynamics simulation. As a result, the interfacial thermal resistance at the interface of Au-SAM-water was found to be higher than that at the interface of Au-water. In addition, the local interfacial thermal resistance at the interface of SAM and water was found to be very small. We analyzed the hydrogen bond at the interface of SAM and water and found that the most of hydrogen bond provided by the SAM molecules are connected to water molecules, and that they would effectively contribute to the small local interfacial thermal resistance at the interface of SAM and water.
2010-08-25