论文标题
三点冰的预冰液膜的结构和波动
Structure and fluctuations of the premelted liquid film of ice at the triple point
论文作者
论文摘要
在本文中，我们研究了TIP4P/2005模型的三重点附近冰/蒸气界面的结构。我们探测了冰/膜和膜/蒸气表面的波动，这些波动将液体膜与基础，主要棱镜和次要棱镜平面的散装相分开。结果使用耦合的正弦Gordon加上界面Hamiltonian模型来解释。在大长度尺度上，两个边界表面相关，并作为单个复杂的冰/蒸气界面行为。相反，对于较小的长度，冰/胶片和膜/蒸气表面的行为非常像独立的冰/水和水/蒸气界面。该研究表明，TIP4P/2005模型的基础面很顺利，棱镜方面接近粗糙的过渡，次要棱镜方面很粗糙。对于基本面的面孔，我们的波动分析使我们能够估算与实验一致的步骤自由能。我们的结果允许定量表征吸附的准液体层作为水的表现，并解释了实验观察结果，这些观察结果揭示了在散装蒸气或散装水中生长的晶体的相似激活能。
In this paper we study the structure of the ice/vapor interface in the neighborhood of the triple point for the TIP4P/2005 model. We probe the fluctuations of the ice/film and film/vapor surfaces that separate the liquid film from the coexisting bulk phases at basal, primary prismatic and secondary prismatic planes. The results are interpreted using a coupled sine Gordon plus Interface Hamiltonian model. At large length-scales, the two bounding surfaces are correlated and behave as a single complex ice/vapor interface. For small length, on the contrary, the ice/film and film/vapor surfaces behave very much like independent ice/water and water/vapor interfaces. The study suggests that the basal facet of the TIP4P/2005 model is smooth, the prismatic facet is close to a roughening transition, and the secondary prismatic facet is rough. For the faceted basal face, our fluctuation analysis allows us to estimate the step free energy in good agreement with experiment. Our results allow for a quantitative characterization of the extent to which the adsorbed quasi-liquid layer behaves as water, and explains experimental observations which reveal similar activation energies for crystals grown in bulk vapor or bulk water.
