Abstract

The paper discusses the features of supercooled water thin film of width d = 3.97 nm contained by the perfect graphene layers and crystallizing under external stationary electric field. It was found that the electric field applied perpendicular to graphene layers impedes structural ordering, while the electric field applied in lateral direction contributes to formation of the cubic ice (I_c) phase, which is thermodynamically less stable compared to the hexagonal ice (I_h) phase. It is shown that the growth of the I_c crystalline phase occurs without formation of intermediate crystalline phases. It was found that the crystallization rate depends strongly on the magnitude of the applied electric field. In particular, the processes of full electrocrystallization of the system do not appear over simulation time scale (~40 ns) if the electric field of the magnitude less than 0.07 V/Å is applied.

中文翻译：

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限制条件下过冷水的电结晶

摘要

本文讨论了理想石墨烯层所含的，宽度为d = 3.97 nm的过冷水薄膜的特征，该薄膜在外部固定电场下会结晶。发现垂直于石墨烯层施加的电场阻碍了结构的有序性，而沿横向施加的电场则有助于形成立方冰（I _c）相，与六角形冰（I _h）相比，其在热力学上不稳定。）阶段。结果表明，所述的生长我_Ç结晶相出现而没有形成中间结晶相。已经发现结晶速率强烈地取决于所施加的电场的大小。特别是，如果施加的电场强度小于0.07 V /Å，则在模拟时间范围内（〜40 ns）不会出现系统完全电结晶的过程。