Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solid-liquid interfaces.

@article{Morciano2017NonequilibriumMD,
  title={Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solid-liquid interfaces.},
  author={Matteo Morciano and Matteo Fasano and Andreas Nold and Carlos A. Braga and Petr Yatsyshin and David N Sibley and Benjamin D. Goddard and Eliodoro Chiavazzo and Pietro Asinari and Serafim Kalliadasis},
  journal={The Journal of chemical physics},
  year={2017},
  volume={146 24},
  pages={
          244507
        }
}
We investigate the hydrodynamic properties of a Lennard-Jones fluid confined to a nanochannel using molecular dynamics simulations. For channels of different widths and hydrophilic-hydrophobic surface wetting properties, profiles of the fluid density, stress, and viscosity across the channel are obtained and analysed. In particular, we propose a linear… CONTINUE READING