Nguyen Trung Dac, Fuentes-Cabrera Miguel, Fowlkes Jason D, Rack Philip D
National Center for Computational Sciences, Oak Ridge National Laboratory, Tennessee 37831.
Center for Nanophase and Materials Science, Computer Science and Mathematics Division, Oak Ridge National Laboratory, Tennessee 37831 and Center for Nanophase and Materials Science, Oak Ridge National Laboratory, Tennessee 37831.
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Mar;89(3):032403. doi: 10.1103/PhysRevE.89.032403. Epub 2014 Mar 14.
Despite extensive investigation using hydrodynamic models and experiments over the past decades, there remain open questions regarding the origin of the initial rupture of thin liquid films. One of the reasons that makes it difficult to identify the rupture origin is the coexistence of two dewetting mechanisms, namely, thermal nucleation and spinodal instability, as observed in many experimental studies. Using a coarse-grained model and large-scale molecular dynamics simulations, we are able to characterize the very early stage of dewetting in nanometer-thick liquid-metal films wetting a solid substrate. We observe the features characteristic of both spinodal instability and thermal nucleation in the spontaneously dewetting films and show that these two macroscopic mechanisms share a common origin at molecular levels.
尽管在过去几十年里,人们使用流体动力学模型和实验进行了广泛研究,但关于薄液膜初始破裂的起源仍存在一些悬而未决的问题。许多实验研究表明,难以确定破裂起源的原因之一是两种去湿机制(即热成核和旋节线失稳)并存。通过使用粗粒化模型和大规模分子动力学模拟,我们能够描述纳米厚液态金属膜在润湿固体基底时去湿的非常早期阶段。我们在自发去湿的薄膜中观察到了旋节线失稳和热成核的特征,并表明这两种宏观机制在分子层面上有共同的起源。