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Atomistic methods in fluid simulation
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DOI：10.1098/rsta.2009.0218.png)
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Abstract
En 中文
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.
Keywords:
molecular dynamics
direct simulation Monte Carlo
Rayleigh-Taylor instability
Richtmyer-Meshkov instability
high-performance computing
SPASM
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