Deposition of\nWater Vapor on Au(001) Substrates: Effect\nof Temperature and Deposition Frequency

Ice\nformation from water vapor is a common phenomenon with significant\nimplications for both natural ice formation and industrial processes.\nHowever, there remains controversy over how deposition frequency and\nsubstrate temperature affect the structural forms of deposition products\nand their formation processes. In this study, we employed molecular\ndynamics simulations to investigate the deposition process of water\nvapor onto a cold Au(001) substrate at different temperatures and\ndeposition frequencies. We analyzed the effects of temperature and\ndeposition frequency on the forms of deposition products including\nbilayer hexagonal ice, amorphous water, and their mixtures. Additionally,\nwe identified and explained the unique formation of square ice as\nan unstable intermediate within specific temperature and deposition\nfrequency ranges. We also discuss the crystallization processes of\npancake- and droplet-like amorphous waters. This research contributes\nto a better understanding of ice formation, with implications for\nmore accurate forecasting of natural ice formation and improved control\nof artificial ice processes.