Probing ice growth from vapor phase: A molecular dynamics simulation approach

We demonstrate a molecular dynamics simulation approach that can be used to investigate ice growth from water vapor. Using this approach, we explore ice/vapor interfacial systems focusing on the behavior of the quasi-liquid layer (QLL) which forms on the ice surface near its melting point. The dependence of the QLL on temperature, ice face and the flux of gas-phase water molecules are examined. We find that the thickness of the QLL increases by increasing temperature, and that the prismatic QLL is thinner than the QLL on the basal face. Both observations are consistent with previous investigations. In addition, variation in the gas densities show that an increase in the flux of water molecules in the gas vapor phase, associated with higher growth rates, results in an increased thickness of the QLL.