Related Experiment Video
Updated: Aug 28, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Exponential Bhatnagar-Gross-Krook integrator for multiscale particle-based kinetic simulations
M Pfeiffer1, F Garmirian1, M H Gorji2
1Institute of Space Systems, University of Stuttgart, Pfaffenwaldring 29, 70569 Stuttgart, Germany.
Abstract:
Despite the development of an extensive toolbox of multiscale rarefied flow simulators, such simulations remain challenging due to the significant disparity of collisional and macroscopic spatiotemporal scales. Our study offers a novel and consistent numerical scheme for a coupled treatment of particles advection and collision governed by the BGK evolution, honoring positivity of the velocity distribution. Our method shares its framework, in spirit, with the unified gas kinetic class of multiscale schemes. Yet it provides attractive features for particle-based stochastic simulations, readily implementable to existing direct simulation Monte Carlo codes. Two main innovations are integrated in the presented BGK particle method. The first ingredient is a high-order time integration that can be interpreted probabilistically, independent of the time step size. The next one is identifying modified particle distributions that remain invariant under the advection-relaxation evolution. We demonstrate accuracy and performance of the devised scheme for prototypic gas flows over a wide range of rarefaction parameters. Due to the resulting robustness and flexibility of the devised exponential BGK integrator, the scheme paves the way towards more affordable simulations of large-scale and multiscale rarefied gas phenomena.
Related Concept Videos
One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation
On...
Model Approaches for Pharmacokinetic Data: Distributed Parameter Models
The distributed parameter models are specifically designed to account for variations and differences in some drug classes. This model is particularly useful for assessing regional concentrations of anticancer or...
Precipitate Formation and Particle Size Control
The obtained precipitate should be either a pure substance of known composition or easily converted to one by a simple process, such as ignition or drying. In addition, the precipitate should be insoluble and easily filterable. In general, filterability...
Equilibrium Conditions for a Particle
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...
Nonlinear Pharmacokinetics: Michaelis-Menten Equation
Vmax represents the maximum achievable process rate, while KM, known as the Michaelis constant, signifies the drug concentration at which the process rate reaches half its maximum. This relationship between Vmax, KM, and Cp gives rise to three distinct...
Maxwell-Boltzmann Distribution: Problem Solving
This distribution function f(v) is defined by saying that the expected number N (v1,v2) of particles with speeds between v1 and v2 is given by

