トライボロジスト
Online ISSN : 2189-9967
Print ISSN : 0915-1168
ISSN-L : 0915-1168
解説
分子動力学シミュレーションを用いたソフト界面の構造と物性の解明
渡辺 豪
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ジャーナル 認証あり

2021 年 66 巻 4 号 p. 267-274

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For soft materials based on functional organic compounds, it is of fundamental importance to understand the structure and dynamics at the interfaces between different matters. Since the intermolecular interactions strongly affect the phenomena at the soft interfaces between molecular assemblies of organic compounds and inorganic solids or liquids, additional molecular-level knowledge is needed to elucidate the mechanism of these phenomena. The molecular dynamics simulation provides one of the useful methods for studying phenomena that occur at the soft interfaces. In this paper, we showed the structural and dynamical properties of ideal liquid crystal monolayers and functional aqueous-liquid crystal monolayers investigated by means of all-atom molecular dynamics simulations.

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