# Lattice gas with molecular dynamics collision operator.

@article{Parsa2017LatticeGW, title={Lattice gas with molecular dynamics collision operator.}, author={Mohammad Reza Parsa and Alexander J. Wagner}, journal={Physical review. E}, year={2017}, volume={96 1-1}, pages={ 013314 } }

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…

## 13 Citations

### Integer lattice gas with Monte Carlo collision operator recovers the lattice Boltzmann method with Poisson-distributed fluctuations.

- PhysicsPhysical review. E
- 2018

A new kind of lattice gas that closely resembles modern lattice Boltzmann methods is examined, which has interesting properties that shed light on the origin of the multirelaxation time collision operator and derives the equilibrium distribution for an entropic lattice Bolzmann.

### Molecular dynamics lattice gas equilibrium distribution function for Lennard–Jones particles

- PhysicsPhilosophical Transactions of the Royal Society A
- 2021

A lattice Boltzmann equilibrium distribution function is derived from the Poisson weighted sum of Gaussians model and compared to a measured equilibrium distribution functions from MD data and to an analytical approximation of the equilibrium distributionfunction from a single Gaussian probability distribution function.

### Overrelaxation in a diffusive integer lattice gas.

- Physics, Computer SciencePhysical review. E
- 2022

It is demonstrated that adding a flipping operation to lattice gases results in a multirelaxation time lattice Boltzmann scheme with over-relaxation in the BoltZmann limit.

### Validity of the molecular-dynamics-lattice-gas global equilibrium distribution function

- PhysicsInternational Journal of Modern Physics C
- 2019

The molecular-dynamics-lattice-gas (MDLG) method establishes a direct link between a lattice-gas method and the coarse-graining of a molecular dynamics (MD) approach. Due to its connection to MD, the…

### Large Fluctuations in Nonideal Coarse-Grained Systems.

- PhysicsPhysical review letters
- 2020

Current approaches to simulating fluctuating hydrodynamics may have to be augmented to achieve quantitative results for systems with a nonideal equation of state, according to the molecular dynamics lattice gas method.

### Lattice Boltzmann simulation of mixtures with multicomponent van der Waals equation of state

- Computer SciencePhysical Review E
- 2018

This article focuses an application to two-component mixtures, but it is demonstrated that the algorighm works for larger numbers of components, and theoretical phase diagrams are well recovered by the lattice Boltzmann method.

### Momentum fluctuations in coarse grained systems

- Physics
- 2020

At first glance the definition of mass and momentum appears to be uniquely defined. We show here, however, that this certainty can be misleading for many coarse grained systems. We show that…

### Force approach for the pseudopotential lattice Boltzmann method.

- PhysicsPhysical review. E
- 2020

A solution for phase densities in a droplet is devised, which states explicitly dependence on the surface tension and interface curvature, and a comparison with numerical results suggest a physical inconsistency in the pseudopotential method.

### 1 4 M ar 2 02 0 Large fluctuations in non-ideal coarse-grained systems

- Physics
- 2020

Using the recently introduced Molecular Dynamics Lattice Gas (MDLG) approach, we test fluctuations of coarse-grained quantities. We show that as soon as the system can no longer be considered an…

### Hybridized method of pseudopotential lattice Boltzmann and cubic-plus-association equation of state assesses thermodynamic characteristics of associating fluids.

- PhysicsPhysical review. E
- 2019

There is a very good match between the LBM results and experimental data, confirming the reliability of the model developed in the present study, and an extended version of CPA EOS is introduced, which increases the system stability at low reduced temperatures.

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