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Molecular Dynamics Simulation Data: Mw And Mlmw Water Model Ice Nucleation On A Hydrophilic Substrate With Negative Pressure, Will Cantrell, Tianshu Li, Issei Nakamura, Elise Rosky, Raymond Shaw

Michigan Tech Research Data

This dataset contains the data supporting Figures in the study by Rosky et al., "Molecular simulations reveal that heterogeneous ice nucleation occurs at higher temperatures in water under capillary tension", submitted for publication in Atmospheric Chemistry and Physics in February 2023. Input files for reproducing the molecular dynamics simulations are included.

The abstract from the paper reads: Using a molecular model of water freezing on a hydrophilic substrate, it is found that heterogeneous ice nucleation rates occur at higher temperatures in water that is under tension, in other words under negative pressure. For pressures ranging from from 1 atm to …