title: Atomistic methods in fluid simulation.
abstract: Atomistic methods, such as molecular dynamics and direct simulation Monte Carlo, constitute a powerful and growing set of techniques for fluid-dynamics simulation. The more fundamental nature of such methods, which exhibit nonlinear transport effects and small-scale fluctuations, extends their modelling accuracy to a significantly wider range of scales and regimes than the more traditional Navier-Stokes-based continuum fluid-simulation techniques. In this paper, we describe the current state of the art in atomistic fluid simulation, from both a theoretical and a computational standpoint, and outline the advantages and limitations of such methods. In addition, we present an overview of some recent atomistic-simulation results on fluid instabilities and on the physical scaling of atomistic techniques. Finally, we suggest possible avenues of future research in the field.
authors.affiliation: Los Alamos National Laboratory, Los Alamos, NM 87545, USA. kadaukai@yahoo.com
authors.forename: Kai
authors.initials: K
authors.lastname: Kadau
authors.forename: John L
authors.initials: JL
authors.lastname: Barber
authors.forename: Timothy C
authors.initials: TC
authors.lastname: Germann
authors.forename: Brad L
authors.initials: BL
authors.lastname: Holian
authors.forename: Berni J
authors.initials: BJ
authors.lastname: Alder