Homogeneous ice nucleation rate at negative pressures: The role of the density anomaly

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 Delta upsilon(ls) 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.

Automated summary

Recent experiments suggest that pressure fluctuations play a role in ice nucleation. By evaluating homogeneous ice nucleation rates under different pressures, researchers found that the density difference between water and ice is crucial in controlling the effect of pressure on nucleation rate. A linear approximation of lines of constant nucleation rate was found to be useful in experimental predictions for studying ice nucleation mechanisms.