Journal
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
Volume 368, Issue 1916, Pages 1547-1560Publisher
ROYAL SOC
DOI: 10.1098/rsta.2009.0218
Keywords
molecular dynamics; direct simulation Monte Carlo; Rayleigh-Taylor instability; Richtmyer-Meshkov instability; high-performance computing; SPASM
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Funding
- National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]
- Division Of Physics
- Direct For Mathematical & Physical Scien [923838] Funding Source: National Science Foundation
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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.
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