Why is Ice Slippery? Simulations of Shear Viscosity of the Quasi-Liquid Layer on Ice

Why is Ice Slippery? Simulations of Shear Viscosity of the Quasi-Liquid Layer on Ice
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DOI:
10.1021/acs.jpclett.8b01339
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发表时间:
2018-07-05
影响因子:
5.7
通讯作者:
Gezelter, J. Daniel
Gezelter, J. Daniel
中科院分区:
化学2区
文献类型:
--
作者:
Louden, Patrick B.;Gezelter, J. Daniel

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使用 TIP4P/Ice 模型的模拟确定了ice-I-h 晶体上水的准液体层 (QLL) 的剪切粘度 (eta) 的温度和深度依赖性。晶体显示出基底 {0001} 或棱柱形 {10 (1) over bar0} 面,我们发现 QLL 粘度取决于所呈现的面、距固/液界面的距离以及过冷温度。结构序参数提供了两种不同的 QLL 宽度估计值,其范围为 6.0 至 7.8 埃,并且取决于刻面和过冷温度。在 260 K 以上,与蒸汽相邻的水层的粘度明显低于与固体相邻的水层的粘度,并且也低于液态水的粘度。
The temperature and depth dependence of the shear viscosity (eta) of the quasi-liquid layer (QLL) of water on ice-I-h crystals was determined using simulations of the TIP4P/Ice model. The crystals display either the basal {0001} or prismatic {10 (1) over bar0} facets, and we find that the QLL viscosity depends on the presented facet, the distance from the solid/liquid interface, and the undercooling temperature. Structural order parameters provide two distinct estimates of the QLL widths, which are found to range from 6.0 to 7.8 angstrom, and depend on the facet and undercooling temperature. Above 260 K, the viscosity of the vapor-adjacent water layer is significantly less viscous than the solid-adjacent layer and is also lower than the viscosity of liquid water.