Using molecular dynamics simulation, we show direct evidence of the unexpected phenomenon of "water that does not wet a water monolayer" at room temperature. This phenomenon is attributed to the structure of the water beneath the water droplet, which exhibits an ordered water monolayer. Remarkably, there remains a considerable number of dangling OH bonds in this room temperature water monolayer, in contrast with the absence of dangling OH bonds at cryogenic temperature.
The dynamics of water molecules in a single-walled carbon nanotube (SWNT) under continuous deformations was studied with molecular dynamics simulations. The flux and occupancy remain almost fixed within a deformation of 2.0 A but decrease sharply for a further deformation of 0.6 A. The nanopore is an excellent on-off gate that is both effectively resistant to deformation noises and sensitive to available signals. Biological water channels are expected to share this advantage due to similar wavelike water distributions. The minimal external force required for triggering an open-close transition falls within the working range of many available experimental facilities, which provides the possibility of developing SWNT-based nanoscale devices.
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