Structure and Dynamics of Water on the Materials Studied by Molecular Simulation

• WASHIZU Hitoshi

  Graduate School of Simulation Studies, University of Hyogo Elements Strategy Initiative for Catalysts and Batteries, Kyoto University

Bibliographic Information

Other Title

• 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
• ブンシ シミュレーション ニ ヨリ ワカル ザイリョウ ヒョウメン ノ ミズ ノ コウゾウ ト ドウタイ

Abstract

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.

Journal

• JOURNAL OF JAPANESE SOCIETY OF TRIBOLOGISTS

  JOURNAL OF JAPANESE SOCIETY OF TRIBOLOGISTS 65 (10), 616-622, 2020-10-15

  Japanese Society of Tribologists

Keywords

• <i>water</i>
• <i>hydrophobic</i>
• <i>hydrophilic</i>
• <i>boundary lubrication</i>
• <i>molecular dynamics</i>
• <i>aquatic functional materials</i>

Details

• CRID: 1391975276371823232
• NII Article ID: 130007926094
• NII Book ID: AN10056166
• DOI: 10.18914/tribologist.65.10_616
• ISSN: 21899967
• ISSN: 09151168
• NDL BIB ID: 030713039
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I030713039
• Text Lang: ja
• Data Source:
  • JaLC
  • NDL
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed