Lattice boltzmann versus molecular dynamics simulation of nanoscale hydrodynamic flows

Phys Rev Lett. 2006 Jun 9;96(22):224503. doi: 10.1103/PhysRevLett.96.224503. Epub 2006 Jun 8.

Abstract

A fluid flow in a simple dense liquid, passing an obstacle in a two-dimensional thin film geometry, is simulated by molecular dynamics (MD) computer simulation and compared to results of lattice Boltzmann (LB) simulations. By the appropriate mapping of length and time units from LB to MD, the velocity field as obtained from MD is quantitatively reproduced by LB. The implications of this finding for prospective LB-MD multiscale applications are discussed.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation
  • Models, Chemical*
  • Nanostructures / chemistry*
  • Thermodynamics