受限条件下过冷水的电结晶
Electrocrystallization of Supercooled Water in Confinement
摘要：
本文讨论了在稳定电场作用下，完整石墨烯层中所包含的宽度为$d=3.97$ ~nm的过冷水薄膜的结晶特性。发现垂直于石墨烯层施加的电场阻碍了结构有序化，而在横向方向上施加的电场有助于立方冰（$Ic$）相的形成，与六方冰（$Ih$）相相比，立方冰（$Ic$）相在热力学上不太稳定。结果表明，在没有形成中间晶相的情况下发生了$Ic$晶相的生长。结果表明，结晶速率强烈依赖于所施加的电场的大小。特别地，如果施加小于$0.07~\rm{V/Å}$的大小的电场，则系统的完全电结晶过程不会在模拟时间尺度（$\sim 40$ ~ns）上出现。
英文摘要：
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 ($Ic$) phase, which is thermodynamically less stable compared to the hexagonal ice ($Ih$) phase. It is shown that the growth of the $Ic$ 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 ($\sim 40$~ns) if the electric field of the magnitude less than $0.07~\rm{V/Å}$ is applied.
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