The Effect of Dipole from $\gamma$-AgI Substrates on Heterogeneous Ice Nucleation

TL;DR

This study uses molecular dynamics simulations to explore how the dipole properties of $ ext{γ}$-AgI substrates influence heterogeneous ice nucleation, revealing that surface charge polarity affects ice formation.

Contribution

It demonstrates that the dipole orientation of $ ext{γ}$-AgI substrates significantly impacts ice nucleation by altering water molecule arrangements near the surface.

Findings

Positive surface ions promote ice nucleation

Negative surface ions do not promote ice nucleation

Dipole orientation influences water molecule conformation

Abstract

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 $\gamma$-AgI substrate can promote ice nucleation by changing the dipole of $\gamma$-AgI on the substrate, we conclude that the dipole of $\gamma$-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. $\gamma$-AgI substrates affect ice nucleation through adjust the orientations of water molecules near the surfaces.