Bridging fluctuating hydrodynamics and molecular dynamics simulations of fluids.

@article{Voulgarakis2009BridgingFH,
  title={Bridging fluctuating hydrodynamics and molecular dynamics simulations of fluids.},
  author={Nikolaos K. Voulgarakis and Jhih-Wei Chu},
  journal={The Journal of chemical physics},
  year={2009},
  volume={130 13},
  pages={134111}
}
A new multiscale coarse-graining (CG) methodology is developed to bridge molecular and hydrodynamic models of a fluid. The hydrodynamic representation considered in this work is based on the equations of fluctuating hydrodynamics (FH). The essence of this method is a mapping from the position and velocity vectors of a snapshot of a molecular dynamics (MD) simulation to the field variables on Eulerian cells of a hydrodynamic representation. By explicit consideration of the effective lengthscale… CONTINUE READING