论文标题

冰表面上的圆形分层过渡

Rounded Layering Transitions on the Surface of Ice

论文作者

Llombart, Pablo, Noya, Eva G., Sibley, David N., Archer, Andrew J., MacDowell, Luis G.

论文摘要

了解薄膜的润湿特性需要了解薄膜的状态方程,这通常不可用。在这里,我们计算出薄膜的不合流压力曲线,并对冰上的预言行为进行详细的热力学表征。对密度曲线的分析揭示了弱分层现象的特征,从一到两到两到三到三个水分子层。然而,毫无疑问,压力曲线密切遵循重新归一化的液态液态理论的预期,表明沿升华线的热力学意义中没有分层相变。取而代之的是,我们发现,由于毛细管波的波动,平均场水平的过渡是圆形的。我们看到的签名表明,在低温下可能会出现真正的一阶分层过渡,因为水/蒸气共存和升华线之间的压力。水蒸气饱和度上方的分离压力曲线的外推显示了从薄膜到厚膜的真实一级相变,与实验观测一致。

Understanding the wetting properties of premelting films requires knowledge of the film's equation of state, which is not usually available. Here we calculate the disjoining pressure curve of premelting films, and perform a detailed thermodynamic characterization of premelting behavior on ice. Analysis of the density profiles reveals the signature of weak layering phenomena, from one to two and from two to three water molecular layers. However, disjoining pressure curves, which closely follow expectations from a renormalized mean field liquid state theory, show that there are no layering phase transitions in the thermodynamic sense along the sublimation line. Instead, we find that transitions at mean field level are rounded due to capillary wave fluctuations. We see signatures that true first order layering transitions could arise at low temperatures, for pressures between the metastable line of water/vapor coexistence and the sublimation line. The extrapolation of the disjoining pressure curve above water vapor saturation displays a true first order phase transition from a thin to a thick film consistent with experimental observations.

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