Bridging experiments and molecular simulations to elucidate heterogeneous ice nucleation

Sapna Sarupria, Brittany Glatz, Will Cantrell

In our work we have combined large scale advanced sampling molecular simulations of ice nucleation with experimental studies of water structure near mica surfaces to elucidate the mechanisms of ice nucleation near mica surfaces. We have probed the effect of surface charges on the ice nucleating behavior. We combine these results to explain why mica is a good ice nucleating agent. Further, this contributes towards predicting ice nucleating propensity of any surface based on its physical and chemical properties.

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