Modeling of wetting: a study of nanowetting at rough and heterogeneous surfaces.
Modeling of wetting: a study of nanowetting at rough and heterogeneous surfaces.
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DOI：
10.1021/la060712o
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发表时间：
2007-01
期刊：
影响因子：
--
通讯作者：
M. Lundgren;N. Allan;T. Cosgrove
中科院分区：
文献类型：
--
作者：
M. Lundgren;N. Allan;T. Cosgrove
采用分子动力学模拟方法研究了纳米水滴在固体表面的行为。对异质图案表面液滴的模拟表明，微区和液滴的相对尺寸以及固体和液体之间的相互作用都起着重要的作用，特别是当微区的宽度与液滴的半径相当时。对于柱子表面，随着柱子高度的增加，在温泽尔和卡西和巴克斯特之间观察到一种过渡。还考察了柱子宽度和柱子之间的间隙对计算结果的影响。模拟结果清楚地表明了固体表面的详细形貌和组成的重要性。
Molecular dynamics simulations were performed to study the behavior of nanoscale water droplets at solid surfaces. Simulations of droplets on heterogeneous patterned surfaces show that the relative sizes of the domains and the droplets play an important role as do the interactions between the solid and the liquid, particularly when the domain width is comparable to the droplet radius. For pillar surfaces, a transition is observed between the Wenzel and the Cassie and Baxter regimes with increasing pillar height. The effects of pillar width and the gap between the pillars were also examined. The simulations show clearly the importance of the detailed topography and composition of the solid surface.