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Probing Ice Growth from Vapor Phase: A Molecular Dynamics Simulation Approach
Journal of Crystal Growth ( IF 1.8 ) Pub Date : 2018-02-01 , DOI: 10.1016/j.jcrysgro.2017.11.022
Ali Mohandesi , Peter G. Kusalik

Abstract We demonstrate a molecular dynamics simulation approach that can be used to investigate ice growth from water vapor. Using this approach, we explore ice/vapor interfacial systems focusing on the behavior of the quasi-liquid layer (QLL) which forms on the ice surface near its melting point. The dependence of the QLL on temperature, ice face and the flux of gas-phase water molecules are examined. We find that the thickness of the QLL increases by increasing temperature, and that the prismatic QLL is thinner than the QLL on the basal face. Both observations are consistent with previous investigations. In addition, variation in the gas densities show that an increase in the flux of water molecules in the gas vapor phase, associated with higher growth rates, results in an increased thickness of the QLL.

中文翻译:

从蒸气相探测冰的生长:分子动力学模拟方法

摘要 我们展示了一种分子动力学模拟方法,可用于研究水蒸气中的冰生长。使用这种方法,我们探索了冰/蒸汽界面系统,重点是在接近其熔点的冰表面上形成的准液体层 (QLL) 的行为。检查了 QLL 对温度、冰面和气相水分子通量的依赖性。我们发现 QLL 的厚度随着温度的升高而增加,并且棱柱形 QLL 比基面上的 QLL 更薄。这两个观察结果都与之前的调查一致。此外,气体密度的变化表明,与更高的生长速率相关的气相中水分子通量的增加会导致 QLL 的厚度增加。
更新日期:2018-02-01
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