Homogeneous ice nucleation rate at negative pressures: The role of the density anomaly
Document Type
Article
Publication Date
2-2022
Department
Department of Physics
Abstract
Recent experiments suggest a role for pressure fluctuations in nucleation. Homogeneous ice nucleation rates for the ML-mW and mW water models are evaluated at pressures ranging from atmospheric to -1000 atm, using forward flux sampling and constant cooling simulations. Results indicate that the density difference Δνls between water and ice exhibited by these models plays a central role in controlling the change in nucleation rate with pressure. A linear function is found to be a reasonable approximation for lines of constant nucleation rate, which can be useful in making experimental predictions to advance the study of ice nucleation mechanisms.
Publication Title
Chemical Physics Letters
Recommended Citation
Rosky, E.,
Cantrell, W.,
Li, T.,
&
Shaw, R.
(2022).
Homogeneous ice nucleation rate at negative pressures: The role of the density anomaly.
Chemical Physics Letters,
789.
http://doi.org/10.1016/j.cplett.2021.139289
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/15670