论文标题
限制过冷水的电晶
Electrocrystallization of Supercooled Water in Confinement
论文作者
论文摘要
本文讨论了宽度$ d = 3.97 $ 〜nm的超冷水薄膜的特征，由完美的石墨烯层包含并在外部固定电场下结晶。发现垂直于石墨烯层施加的电场阻碍了结构排序，而朝向侧向应用的电场有助于形成立方冰（$ ic $）相，与六边形冰（$ ih $）相比，该相位的稳定性较小。结果表明，$ ic $ crystalline阶段的生长是在不形成中间晶体的情况下发生的。发现结晶速率在很大程度上取决于施加的电场的大小。特别是，如果应用小于$ 0.07〜 \ rm {v/Å} $，则系统的完整电结晶过程不会出现在仿真时间尺度上（$ \ sim 40 $ 〜ns）。
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.
