A lattice mesoscopic model of dynamically heterogeneous fluids

TL;DR

This paper presents a 3D Lattice Boltzmann Model that simulates the complex behavior of dynamically heterogeneous fluids by incorporating non-local density constraints, capturing key features like non-Gaussian distributions and long relaxation times.

Contribution

It introduces a novel mesoscopic Lattice Boltzmann approach with self-consistent constraints to mimic cage effects in heterogeneous fluids, improving computational efficiency.

Findings

Reproduces non-Gaussian density distributions

Displays long-time relaxation behavior

Operates faster than molecular dynamics and Monte Carlo methods

Abstract

We introduce a mesoscopic three-dimensional Lattice Boltzmann Model which attempts to mimick the physical features associated with cage effects in dynamically heterogeneous fluids. To this purpose, we extend the standard Lattice Boltzmann dynamics with self-consistent constraints based on the non-local density of the surrounding fluid. The resulting dynamics exhibits typical features of dynamic heterogeneous fluids, such as non-Gaussian density distributions and long-time relaxation. Due to its intrinsically parallel dynamics, and absence of statistical noise, the method is expected to compute significantly faster than molecular dynamics, Monte Carlo and lattice glass models.