Fig. 4: Characterisation of proton orientational ordering for S-state and ρ-state in the negative dipole region.
From: Competing hydrogen-bond orders drive water’s anomalous surface tension
Distribution \(P(\cos ({\theta }_{1}),\cos ({\theta }_{2}))\) for S-state (a) and ρ-state (b) water at z = 21–22 Å and T = 210 K. Distribution \(P(\cos ({\theta }_{1}),\cos ({\theta }_{2}))\) for S-state (c) and ρ-state (d) water at z = 21–22 Å and T = 250 K. Distribution \(P(\cos ({\theta }_{1}),\cos ({\theta }_{2}))\) for S-state (e) and ρ-state (f) water at z = 21–22 Å and T = 300 K. g Representative configurations of water molecules labelled #1 through #5, corresponding to regions in \(P(\cos ({\theta }_{1}),\cos ({\theta }_{2}))\) plot in (c).
