论文标题
冰面的预言和冻结期间的过渡动力和亚稳态状态
Transition dynamics and metastable states during premelting and freezing of ice surfaces
论文作者
论文摘要
冰的预言是众所周知的，但是关于预先播放和实心表面如何相互转换的知之甚少。在这项工作中，通过大规模的分子动力学模拟揭示了两个阶段之间的过渡动力学。过渡和过热状态存在于过渡中，并通过成核样过程克服。冰面的自然不均匀性增强了核的形成，而仅加速了预言，但不加冻。此外，核之间的堆叠顺序不匹配可能会阻碍冰面的完全冷冻。这项工作指出了亚稳态在预言中的重要性，以及在描述其过渡过程中大量系统量表的必要性。
The premelting of ice is well known, but little is known about how the premelted and solid surfaces convert to each other. In this work, the transition dynamics between two phases are revealed with large-scale molecular dynamics simulations. Supercooling and superheating states exist in the transition, and are overcome by nucleation-like processes. The natural inhomogeneity of ice surfaces enhances nuclei formation, while it only accelerates premelting but not freezing. Furthermore, the complete freezing of ice surfaces may be hindered by the stacking order mismatch between nuclei. This work points out the importance of metastable states in premelting, and the necessity of a large system scale in describing its transition process.
