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

中文翻译：

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水蒸气在 Au（001） 衬底上的沉积：温度和沉积频率的影响


水蒸气结冰是一种常见现象，对自然结冰和工业过程都有重大影响。然而，关于沉积频率和衬底温度如何影响沉积产物的结构形式及其形成过程仍然存在争议。在这项研究中，我们采用分子动力学模拟研究了水蒸气在不同温度和沉积频率下沉积到冷 Au（001） 衬底上的过程。我们分析了温度和沉积频率对沉积产物形式的影响，包括双层六方冰、无定形水及其混合物。此外，我们确定并解释了在特定温度和沉积频率范围内作为不稳定中间体的方冰的独特形成。我们还讨论了煎饼状和水滴状无定形水的结晶过程。这项研究有助于更好地了解冰的形成，对更准确地预测自然冰的形成和改进对人工冰过程的控制具有重要意义。