Nucleation and Growth of Hexagonal Ice by Dynamical Density Functional Theory

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• 作者：Yi Ye ; Nanying Ning ; Ming Tian ; Liqun Zhang ; Jianguo Mi
• 刊名：Crystal Growth & Design
• 出版年：2017
• 出版时间：January 4, 2017
• 年：2017
• 卷：17
• 期：1
• 页码：100-105
• 全文大小：405K
• ISSN：1528-7505

文摘

We propose a dynamic density functional theory to describe the transition process from disordered liquid water to ordered ice crystal. With the special consideration of the enhanced and ordered hydrogen bonding in the crystal and the hydrodynamic interactions induced by the flow of water molecules, the theory is able to reproduce the process of nucleation and growth of ice crystal. Some theoretical predictions are in general agreement with the available computational and experimental data, indicating that the theory provides a reasonable description of the dynamic process of ice crystal growth.