固液界面毛细变形和液体结构有序化的力学机理

微纳米尺度固液界面的润湿行为与宏观时存在明显区别，在能源环境、生物医药、润滑摩擦等领域具有重要的应用场景。由于微纳米尺度下表界面效应和限域效应显著，固体的毛细变形和液体的结构有序化是造成固液界面特殊润湿行为的重要原因。然而，固体的毛细变形和液体有序结构的力学机理目前仍没有形成统一的认识，这严重限制了微纳米固液界面优异润湿行为的进一步应用。本申请项目拟采用理论建模与分子动力学模拟相结合的手段，研究固体在毛细力作用下的变形机理、液体有序结构对受限液体蒸发的驱动机理、毛细变形和液体结构有序化对固液界面能的影响机理这三个关键科学问题，从分子间相互作用角度建立新的毛细力调控固体变形的理论模型，修正受限液体蒸发和凝结的传统连续理论，揭示固体毛细变形和液体有序结构的力学机理。本项目将力争取得一些突破性的研究成果，从而为微纳米尺度固液界面润湿机制和受限液体的特殊性质提供新的理论认识和应用基础。

Wetting behaviors at the micro-nanoscale solid-liquid interfaces are quite different from those at the macroscale, which show significant application prospects in various areas such as energy & environment, biological medicine, tribology & lubrication, etc. Since the interfacial effect and confinement effect are dominant at the micro-nanoscale, the elasto-capillarity of solid and the ordered structure of liquid are the key factors that affect the special wetting behaviors at the solid-liquid interfaces. However, there is still no consensus on the mechanical mechanism of solid capillary deformation and liquid ordered structure, which is the bottleneck for the further application of the outstanding wetting behaviors at the micro-nanoscale solid-liquid interfaces. Combining the methods of theoretical analysis and molecular dynamics simulation, this project plans to investigate three key scientific issues: (1) Mechanism of solid deformation induced by capillary forces. (2) Effect of liquid ordered structure on the evaporation driving force for a confined liquid. (3) Synergetic effect of solid elasto-capillarity and liquid ordered structure on the solid-liquid interface energy. Moreover, we intend to build a new theoretical model of capillary deformation tuned by capillary force from a perspective of intermolecular interactions, modify the traditional continuous theory of confined liquid evaporation and condensation and reveal the mechanism of solid capillary deformation and liquid ordered structure. This project is supposed to achieve several significant breakthroughs and provide a new theoretical understanding and application basis for solid-liquid interface wetting and confined liquid.