Abstract
By extending the cleaving method to molecular systems, we perform direct calculations of the ice -water interfacial free energy for the TIP4P model. The values for the basal, prism, and faces are , , and , respectively. The closeness of these values implies a minimal role of thermodynamic factors in the anisotropic growth of ice crystals. These results are about 20% lower than the best experimental estimates. However, the Turnbull coefficient is about 50% higher than for real water, indicating a possible limitation of the TIP4P model in describing freezing.
- Received 5 July 2007
DOI:https://doi.org/10.1103/PhysRevLett.100.036104
©2008 American Physical Society