Nanoconfined water under electric field at constant chemical potential undergoes electrostriction

When using a proper representation of the field at the border region of the confined water, we demonstrate a consistent increase in electrostriction as a function of the field strength inside the pore open to a field-free aqueous environment

Davide Vanzo; D. Bratko; Alenka Luzar


Scholarcy highlights

  • Electric control of nanowetting is most effective when the field is applied in the confinement without perturbing the surrounding reservoir
  • We evaluate the artifacts associated with Molecular Dynamics integration in a spatially discontinuous field
  • In microcanonical simulations, performed to verify the accuracy of MD integration, the pressure is fixed at vapor pressure value due to the presence of two vapor pockets, placed at the top and bottom walls of the simulation box
  • Trial calculations showed the smoothing interval can be varied without importantly affecting any of the properties of the confined fluid at r < rin, or its equilibrium with the bulk phase
  • With proper treatment of the field-decay region at the confinement border, the imposition of external field across the confinement in equilibrium with a field-free aqueous reservoir consistently results in density increase in analogy with electrostriction in bulk water
  • A contradictory observation5 in the same type of system may be explained by the neglect of the lateral field effect discussed above

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