Water–ice III interfacial free energy: A mold integration study using the TIP4P/Ice model

In this work, we evaluate the interfacial free energy, γ, between ice III and liquid water along the coexistence line for the TIP4P/Ice model using the mold integration technique. The calculated γ values exceed 40 mJ/m2 across all the studied pressures. We observe a non-monotonic pressure dependence...

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Bibliographic Details
Published in:The Journal of chemical physics 2026-03, Vol.164 (10)
Main Authors: Sedano, L. F., Espinosa, J. R., Tejedor, A. R., Vega, C., Noya, E. G.
Format: Article
Language:English
Subjects:
Anisotropy
Free energy
Molds
Pressure dependence
Water
Online Access:Get full text
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