冰表面的圆形分层过渡
Rounded Layering Transitions on the Surface of Ice
摘要：
了解预熔膜的润湿特性需要了解膜的状态方程，这通常是不可用的。在这里，我们计算的分离压力曲线的预融膜，并进行了详细的热力学表征的预融行为的冰。对密度分布的分析揭示了弱分层现象的特征，从一个到两个，从两个到三个水分子层。然而，分离的压力曲线，这密切遵循预期的重整化平均场液态理论，表明没有分层相变在热力学意义上沿升华线。相反，我们发现，在平均场水平的过渡是圆的，由于毛细波波动。我们看到的签名，真正的一阶分层过渡可能会出现在低温下，水/蒸汽共存的亚稳线和升华线之间的压力。水蒸气饱和度以上分离压力曲线的外推显示了从薄膜到厚膜的真正一级相变，与实验观察一致。
英文摘要：
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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