在纳米流体学中对摩擦的格林-库博关系进行重新审视
Anna T Bui1, Stephen J Cox1,2
1Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
The Journal of chemical physics
|November 27, 2024
概括
这项研究引入了一种新的Green-Kubo关系,用于液体-固体摩擦,解决了"高原问题",并测量了有效摩擦. 它将此与水力动力学滑动长度联系起来,验证连续水力动力学到1纳米的限制.
科学领域:
- 统计力学 统计力学
- 非平衡的热力学 热力学
- 流体动力学 流体动力学
背景情况:
- 在统计力学中,建立微观波动和宏观性质之间的联系是统计力学的关键.
- 绿色-库博 (GK) 关系用于非平衡运输属性.
- 将液体固体摩擦的GK表达式与宏观滑动边界条件联系起来是具有挑战性的,因为"高原问题"和摩擦测量的争论.
研究的目的:
- 为液体-固体摩擦推导出绿-库博关系,以克服现有的挑战.
- 毫不含糊地测量有效的摩擦系数.
- 将导出的摩擦系数与水力动力滑动长度联系起来,以评估连续水力动力学.
主要方法:
- 开发了对液体-固体摩擦进行修改的格林-库博关系.
- 在液体中包含动量保存的约束,用于采样力自相对应.
- 将有效摩擦系数与水力动力滑动长度联系起来.
主要成果:
- 衍生的格林-库博关系解决了与力自相关函数相关的"高原问题".
- 该方法明确量化了有效的摩擦系数,类似于斯托克斯定律.
- 连续性水力动力学准确地描述了模拟结果,直到1nm的限制尺度.
结论:
- 这种新方法提供了一种可靠的方法来量化分子模拟中的界面摩擦.
- 能够直接比较具有不同滑动特性的表面之间的摩擦.
- 验证了连续水力动力学在纳米尺度限制中的适用性.
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