Phase states of confined water as a function of pore width for different water-graphite potential models. The black and white bars represent condensed and vapor phases, respectively, whereas gray bars show “ambiguous” regions, where the phase state of confined water depends on the starting configuration of the GCMC run.
Normal pressure as a function of pore width .
Orientational distribution of the OH bonds of water molecules at a distance from the lower graphite sheet for .
Pair distribution functions of confined water in a thick slice passing through the midplane of the pore.
Shear stress in the direction as a function of registry for the 3Sa potential model and .
Parameters of 3Sa and water-graphite potential models. Parameters correspond to original (unscaled) potentials.
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