Structure and fluctuations of the premelted liquid film of ice at the triple point
Structure and fluctuations of the premelted liquid film of ice at the triple point
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DOI：
10.1080/00268976.2019.1583388
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发表时间：
2019-10-18
影响因子：
1.7
通讯作者：
MacDowell, Luis G.
中科院分区：
文献类型：
--
作者：
Benet, Jorge;Llombart, Pablo;MacDowell, Luis G.
在本文中，我们研究了TIP 4P/2005模式的三相点附近的冰/气界面的结构。我们探测冰/膜和膜/蒸汽表面的波动，分离的液体膜从共存的体相在基础上，初级棱镜和次级棱镜平面。结果解释使用耦合正弦戈登加界面哈密顿模型。在大的长度尺度上，两个边界面是相关的，表现为一个单一的复杂的冰/蒸汽界面。相反，对于小的长度，冰/膜和膜/蒸汽表面表现得非常像独立的冰/水和水/蒸汽界面。研究表明，TIP 4P/2005模型的底面是光滑的，棱柱面接近粗糙化过渡，第二棱柱面是粗糙的。对于多面基面，我们的波动分析使我们能够估计与实验吻合良好的台阶自由能。我们的研究结果允许定量表征的程度，吸附的准液体层的行为作为水和解释实验观察，揭示了类似的激活能晶体生长在散装蒸汽或散装水。[图片]
In this paper, we study the structure of the ice/vapour interface in the neighbourhood of the triple point for the TIP4P/2005 model. We probe the fluctuations of the ice/film and film/vapour 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/vapour interface. For small length, on the contrary, the ice/film and film/vapour surfaces behave very much like independent ice/water and water/vapour 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 characterisation 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 vapour or bulk water.[GRAPHICS]