论文标题
偶极子从$γ$ -AGI底物对异质冰核的影响
The Effect of Dipole from $γ$-AgI Substrates on Heterogeneous Ice Nucleation
论文作者
论文摘要
异质冰成核是物理环境中最常见和最重要的过程之一。在冰核过程中，AGI已被证明是一种有效的冰核定剂。然而，尚未完全了解异质冰核中AGI的微观机制。分子动力学模拟用于研究哪种$γ$ -Agi底物可以通过更改基板上$γ$ -AGAGI的偶极子来促进冰成核的能力，我们得出结论，$γ$ -AGI的偶极子在基板上的偶极子可能会影响冰核的结构。底物上具有正电荷的表面离子可能会促进冰核，而在表面离子上没有冰成核，具有负电荷。 $γ$ -AGI底物通过调节表面附近的水分子的方向影响冰成核。
Heterogeneous ice nucleation is one of the most common and important process in the physical environment. AgI has been proved to be an effective ice nucleating agent in the process of ice nucleation. However, the microscopic mechanism of AgI in heterogeneous ice nucleation has not been fully understood. Molecular dynamics simulations are applied to investigate the ability of which kinds of $γ$-AgI substrate can promote ice nucleation by changing the dipole of $γ$-AgI on the substrate, we conclude that the dipole of $γ$-AgI on the substrate can affect the conformation of ice nucleation. The surface ions with positive charge on the substrate may promote ice nucleation, while there is no ice nucleation founded on the surface ions with negative charge. $γ$-AgI substrates affect ice nucleation through adjust the orientations of water molecules near the surfaces.
