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Effect of Nanostructures and Wettability on the Instability of Thin Water Films on a Solid Surface: A Molecular Dynamics Study

机译:纳米结构和润湿性对固体表面薄水膜不稳定性的影响:分子动力学研究

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Molecular dynamics simulations are performed to investigate the stability of thin water films on square gold nanostructures of varying depth and wavelength. The critical film thickness of breakup is shown to increase linearly with nanostructure depth, and is not affected by nanostructure wavelength. In addition, the wettability of the gold surface is controlled from superhydrophilic to hydrophobic by altering the energy parameter of the solid-liquid potential, and the equilibrium contact angle for each energy parameter is calculated using a droplet spreading simulation. Four different energy parameters of the solid-liquid potential are investigated. The ratio of the energy parameter to the energy parameter of water and gold is 1, 0.5, 0.25 and 0.1. The case for ratio of 1 represents water on superhydrophilic gold surfaces. The relationship between the critical film thickness of breakup and the equilibrium contact angle is demonstrated. The results of the present work will provide guidelines for nanostructure design for controlling thin film stability.
机译:进行分子动力学模拟,以研究变化深度和波长方形纳米结构上薄水膜的稳定性。分解的临界膜厚度被示出为线性地随纳米结构深度而增加,并且不受纳米结构波长的影响。另外,通过改变固液电位的能量参数,通过改变固体液体电位的能量参数来控制金表面的润湿性,并且使用液滴扩展模拟计算每个能量参数的平衡接触角。研究了固体液体电位的四个不同能量参数。能量参数与水和金的能量参数的比率为1,0.5,0.25和0.1。比例为1代表过硫基金表面上的水。证明了分解的临界膜厚度与平衡接触角之间的关系。本作工作的结果将为控制薄膜稳定性提供纳米结构设计的指导。

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