机器学习的潜在分子动力学揭示了在固体-液体纳米流体摩擦中灵活性的关键作用
Junyu Lian1,2, Shuping Jiao1, Wanjian Yin2
1Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai Institute of Applied Mathematics and Mechanics, School of Mechanics and Engineering Science, Shanghai University, Shanghai 200444, China.
ACS nano
|September 5, 2025
概括
灵活的纳米通道显示摩擦与大小增加,与刚性的不同. 这种与热波动相关的效应可以通过机械应变调整,为控制纳米级流体流动提供了新的方法.
科学领域:
- 纳米流体
- 材料科学
- 表面物理
背景情况:
- 用作纳米通道墙壁的原子薄的二维材料通常被模拟为刚性边界.
- 然而,这些墙壁在有限的温度下表现出固有的热波动.
- 了解固体-液体界面摩擦对于纳米通道流体运输至关重要.
研究的目的:
- 研究墙壁灵活性对纳米通道中的固体-液体界面摩擦的影响.
- 分析摩擦系数,纳米通道大小和墙壁特性之间的关系.
- 探索通过墙壁力学控制纳米级流体流动的方法.
主要方法:
- 使用机器学习的潜在分子动力学模拟.
- 模拟水被限制在不同侧面尺寸的柔性纳米通道 (L) 中.
- 分析了摩擦系数 (λ) 和其对通道尺寸和墙壁曲刚度 (D) 的依赖.
主要成果:
- 发现摩擦系数 (λ) 在柔性纳米通道中与1/L线性增加,这种现象在刚性通道中不存在.
- 观察到这种尺寸依赖在曲刚度较高的较厚壁面上减弱 (D).
- 将摩擦分解为格子粗度和热波动诱导的波纹贡献,后者缩放为D^{-1/2).
结论:
- 证明灵活的二维材料纳米通道中的热波动显著影响固体-液体界面摩擦.
- 通过对通道壁施加机械应力来控制摩擦,通过调整声波模式和表面波动.
- 提供了通过局部曲率和流体-固体合控制操纵纳米流量的见解.
相关概念视频
The Fluid Mosaic Model
151.9K
The fluid mosaic model was first proposed as a visual representation of research observations. The model comprises the composition and dynamics of membranes and serves as a foundation for future membrane-related studies. The model depicts the structure of the plasma membrane with a variety of components, which include phospholipids, proteins, and carbohydrates. These integral molecules are loosely bound, defining the cell’s border and providing fluidity for optimal function.
151.9K
Newtonian Fluid: Problem Solving
384
Newtonian fluids exhibit a constant viscosity, meaning their shear stress and shear strain rate are directly proportional. This property ensures a predictable and stable response to applied forces, maintaining a linear relationship between force and flow. Examples include water, air, and light oils, consistently demonstrating this proportional behavior regardless of external conditions.
A velocity gradient forms within the fluid when a Newtonian fluid is placed between two parallel plates, with...
A velocity gradient forms within the fluid when a Newtonian fluid is placed between two parallel plates, with...
384
Surface Tension of Fluid
479
Surface tension is a fundamental property of fluids, occurring at the boundary between a liquid and a gas or between two immiscible liquids. This phenomenon arises from the cohesive forces between molecules at the fluid's surface, creating an effect similar to a stretched elastic membrane. Inside each fluid, molecules are equally attracted in all directions by neighboring molecules, but surface molecules experience a net inward force, resulting in surface tension.
Surface tension varies...
Surface tension varies...
479
Typical Model Studies
438
Fluid mechanics model studies often utilize scaled-down systems to predict fluid behavior in full-scale environments, such as river flows, dam spillways, and structures interacting with open surfaces. Maintaining Froude number similarity in river models is crucial, as it replicates surface flow features like wave patterns and velocities.
438
Characteristics of Fluids
4.7K
When a force is applied parallel to the top surface of a solid, it resists the applied force due to the internal frictional forces between the layers of the solid known as shearing resistance. However, when the force is removed, the shearing forces restore the original shape of the solid. Other deformation forces also cause temporary changes in shape if the forces are not beyond a threshold magnitude. Solids tend to retain their shape, making the study of their rest and motion easier. Beyond...
4.7K


