Lattice Gas with Molecular Dynamics Collision Operator

Abstract

We introduce a lattice gas implementation that is based on coarse-graining a Molecular Dynamics (MD) simulation. Such a lattice gas is similar to standard lattice gases, but its collision operator is informed by an underlying MD simulation. This can be considered an optimal lattice gas implementation because it allows for the representation of any system that can be simulated with MD. We show here that equilibrium behavior of the popular lattice Boltzmann algorithm is consistent with this optimal lattice gas. This comparison allows us to make a more accurate identification of the expressions for temperature and pressure in lattice Boltzmann simulations which turn out to be related not only to the physical temperature and pressure but also to the lattice discretization. We show that for any spatial discretization we need to choose a particular temporal discretization to recover the lattice Boltzmann equilibrium.

13 pages, 11 figures

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• Force approach for the pseudopotential lattice Boltzmann method
• Integer Lattice Gas with Monte Carlo collision operator recovers the entropic lattice Boltzmann method with Poisson distributed fluctuations
• Large fluctuations in non-ideal coarse-grained systems
• Validity of the Molecular-Dynamics-Lattice-Gas Global Equilibrium Distribution Function
• Integer Lattice Gas with a sampling collision operator for the fluctuating Diffusion Equation
• Non-Gaussian distribution of displacements for Lennard-Jones particles in equilibrium
• Molecular dynamics lattice gas equilibrium distribution function for Lennard-Jones particles
• Over-Relaxation in Diffusive Integer Lattice Gas
• Momentum fluctuations in coarse grained systems
• Integer Lattice Gas with a sampling collision operator for the fluctuating Navier-Stokes Equation
• Molecular dynamics perspectives on nonideal fluid models for the lattice Boltzmann method
• Moment Independent Expansion for Fourth-Order Corrections in Lattice Boltzmann Methods