Related papers: Lattice Gas with Molecular Dynamics Collision Oper…
The Boltzmann equation becomes invalid as the size of gas molecules is comparable with the average intermolecular distance. A better description is provided by the Enskog collision operator, which takes into account the finite size of gas…
A hybrid lattice Boltzmann/finite-difference solver for low Mach thermo-compressible flows developed in earlier works is extended to more realistic and challenging configurations involving turbulence and complex geometries in the present…
Molecular dynamics (MD) simulation is essential for various scientific domains but computationally expensive. Learning-based force fields have made significant progress in accelerating ab-initio MD simulation but are not fast enough for…
In this work an optimized multicomponent lattice Boltzmann (LB) model is deployed to simulate axisymmetric turbulent jets of a fluid evolving in a quiescent, immiscible environment over a wide range of dynamic regimes. The implementation of…
-Molecular simulations allow the study of properties and interactions of molecular systems. This article presents an improved version of the Adaptive Resolution Scheme that links two systems having atomistic (also called fine-grained) and…
The aim of this paper is to compare results from lattice-Boltzmann and Brownian dynamics simulations of linear chain molecules. We have systematically varied the parameters that may affect the accuracy of the lattice-Boltzmann simulations,…
Theoretical studies of protein folding on lattice models relie on the assumption that water close to amino-acids is always in thermal equilibrium all along the folding pathway. Within this framework, it has always been considered that…
Various lattice gas automata have been proposed in the past decades to simulate physics and address a host of problems on collective dynamics arising in diverse fields. In this work, we employ the lattice gas model defined on the sphere to…
In this paper, for the first time a theory is formulated that predicts velocity and spatial correlations between occupation numbers that occur in lattice gas automata violating semi-detailed balance. Starting from a coupled BBGKY hierarchy…
Intracellular transport processes driven by molecular motors can be described by stochastic lattice models of self-driven particles. Here we focus on bidirectional transport models excluding the exchange of particles on the same track. We…
We review the class of cellular automata known as lattice gases, and their applications to problems in physics and materials science. The presentation is self-contained, and assumes very little prior knowledge of the subject. Hydrodynamic…
The lattice Boltzmann method (LBM) has experienced tremendous advances and been well accepted as a popular method of simulation of various fluid flow mechanisms on pore scale in tight formations. With the introduction of an effective…
While accurate simulations of dense gas flows far from the equilibrium can be achieved by Direct Simulation adapted to the Enskog equation, the significant computational demand required for collisions appears as a major constraint. In order…
With a sufficiently fine discretisation, the Lattice Boltzmann Method (LBM) mimics a second order Crank-Nicolson scheme for certain types of balance laws (Farag et al. [2021]). This allows the explicit, highly parallelisable LBM to…
For multiscale gas flows, kinetic-continuum hybrid method is usually used to balance the computational accuracy and efficiency. However, the kinetic-continuum coupling is not straightforward since the coupled methods are based on different…
Conventional lattice Boltzmann models for the simulation of fluid dynamics are restricted by an error in the stress tensor that is negligible only for vanishing flow velocity and at a singular value of the temperature. To that end, we…
The Boltzmann collision operator for a dilute granular gas of inelastic rough hard spheres is much more intricate than its counterpart for inelastic smooth spheres. Now the one-body distribution function depends not only on the…
We present the speedup from a novel parallel implementation of the multicanonical method on the example of a lattice gas in two and three dimensions. In this approach, all cores perform independent equilibrium runs with identical weights,…
The past two decades showed a rapid growing of physically-based modeling of fluids for computer graphics applications. In this area, a common top down approach is to model the fluid dynamics by Navier-Stokes equations and apply a numerical…
The lattice Boltzmann method can be used to simulate flow through porous media with full geometrical resolution. With such a direct numerical simulation, it becomes possible to study fundamental effects which are difficult to assess either…