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Solid–liquid interfacial free energy of ice Ih, ice Ic, and ice 0 within a mono atomic model of water via the capillary wave method

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FIG. 1. Simulation geometry. Cartesian vectors⃗Molecular dynamics simulations are performed in a local coordinate systemwith thecoordinate system such that the polar anglesin the tangent plane is chosen as thei,⃗j, and ⃗k denote the crystal θ and ϕ define a
Figure 3along the short or y direction in Figure 1. For facets with large.surface unit cells, that requirement may be difficult to rec-
FIG. 5. Interfacial stiffness as a function of Nz at fixed Nx = 80 (left) andas a function of Nx at fixed Nz = 50 (right)
FIG. 6. Calculated interfacial stiffness as a function of Nnesses of the interfacial ribbon in the ice Ih (basal)[11dimensions are as reported in Tableuniform profile across the interfacial ribbon (indicated
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