Scaling of atomistic fluid dynamics simulations.

Area of Science:

• Fluid dynamics
• Computational physics
• Plasma physics

Background:

• The Rayleigh-Taylor instability is crucial in various physical phenomena, from astrophysics to inertial confinement fusion.
• Bridging the gap between atomistic and continuum models is essential for accurate simulation of complex fluid behaviors.

Purpose of the Study:

• To investigate the Rayleigh-Taylor instability using large-scale atomistic simulations.
• To compare the scaling of atomistic simulations with continuum fluid dynamics models.
• To assess the applicability of atomistic simulation results to macroscopic phenomena.

Main Methods:

• Performed large-scale atomistic simulations with up to 5.7 x 10^9 particles.
• Simulated time scales up to 170 ns and length scales up to 45 micrometers.
• Compared simulation results with solutions of the continuum Navier-Stokes equations and macroscopic experiments.

Main Results:

• Atomistic fluid dynamics simulations demonstrated identical scaling behavior to continuum Navier-Stokes equations.
• Results from atomistic simulations were successfully scaled up to macroscopic dimensions.
• The findings hold true even for complex, nonstationary flow conditions.

Conclusions:

• Large-scale atomistic simulations are a valid and scalable approach for studying fluid dynamics, including the Rayleigh-Taylor instability.
• This work bridges the gap between microscopic and macroscopic simulation regimes.
• The findings support the use of atomistic simulations for predicting real-world, large-scale fluid phenomena.