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Premelting layer during ice growth: role of clusters
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2022-06-15 , DOI: 10.1039/d2cp00412g Shifan Cui 1 , Haoxiang Chen 2 , Zhengpu Zhao 1
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2022-06-15 , DOI: 10.1039/d2cp00412g Shifan Cui 1 , Haoxiang Chen 2 , Zhengpu Zhao 1
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The premelting layer plays an important role in ice growth, but there is a significant gap in our knowledge between the atomistic premelting surface structure and the macroscopic growth mechanism. In this work, using large-scale molecular dynamics simulation, we reveal the existence of clusters on the premelting surface, as an intermediate feature bridging the gap. We show the spontaneous formation and evolution of clusters, and they form a stable distribution determined by the growth rate. We demonstrate how this stable distribution is related to the growth mode of ice, connected by the growth of clusters. We come to a bilayer-by-bilayer growth mode at simulation-reachable high growth rates, but another mechanism, namely “cluster stacking”, is speculated to exist at lower growth rates. This work builds a connection between the microscopic structure of the premelting layer and the macroscopic growth of ice, making a step forward toward the full understanding of premelting and ice growth.
中文翻译：
冰生长过程中的预融层：簇的作用
预熔层在冰的生长中起着重要作用，但我们对原子预熔表面结构和宏观生长机制之间的认识存在显着差距。在这项工作中，使用大规模分子动力学模拟，我们揭示了预熔表面上存在簇，作为弥合差距的中间特征。我们展示了簇的自发形成和演化，它们形成了由增长率决定的稳定分布。我们展示了这种稳定的分布如何与冰的生长模式相关，并通过集群的生长连接起来。我们以模拟可达到的高增长率进入双层逐层增长模式，但另一种机制，即“集群堆叠”，被推测以较低的增长率存在。
更新日期：2022-06-15
中文翻译：
冰生长过程中的预融层：簇的作用
预熔层在冰的生长中起着重要作用，但我们对原子预熔表面结构和宏观生长机制之间的认识存在显着差距。在这项工作中，使用大规模分子动力学模拟，我们揭示了预熔表面上存在簇，作为弥合差距的中间特征。我们展示了簇的自发形成和演化，它们形成了由增长率决定的稳定分布。我们展示了这种稳定的分布如何与冰的生长模式相关，并通过集群的生长连接起来。我们以模拟可达到的高增长率进入双层逐层增长模式，但另一种机制，即“集群堆叠”，被推测以较低的增长率存在。
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