解説
分子シミュレーションによりわかる材料表面の水の構造と動態
キーワード:
water,
hydrophobic,
hydrophilic,
boundary lubrication,
molecular dynamics,
aquatic functional materials
2020 年 65 巻 10 号 p. 616-622
詳細
2020 年 65 巻 10 号 p. 616-622
The system of water molecules incorporated in the material surface is called aquatic functional materials, and it is now extensively under research. In this article we describe molecular simulation approach to investigate the structure and dynamics of aquatic functional materials. First the results of molecular dynamics simulations for bulk and hydrophobic system is shown. Then the molecular dynamics simulations for hydrophilic surface, especially the research about boundary lubrication of water film bound to the hydrophilic surface is discussed.
