Related papers: Extending the Particle ESBGK Method to Diatomic Mo…
A treatment of direct simulation Monte Carlo method (DSMC) as a Markov process with a master equation is given and the corresponding master equation is derived. A hierarchy of equations for the reduced probability distributions is derived…
This work is devoted to the numerical implementation of the quantum Bhatnagar- Gross-Krook (BGK) model for gas mixtures consisting of classical and quantum particles (fermions, bosons). We consider the model proposed by Bae, Klingenberg,…
The Dynamic Monte Carlo (DMC) method is an established molecular simulation technique for the analysis of the dynamics in colloidal suspensions. An excellent alternative to Brownian Dynamics or Molecular Dynamics simulation, DMC is…
The lattice Bhatnagar-Gross-Krook (LBGK) model has become the most popular one in the lattice Boltzmann method for simulating the convection heat transfer in porous media. However, the LBGK model generally suffers from numerical instability…
Dynamical electronic- and vibrational-structure theories have received a growing interest in the last years due to their ability to simulate spectra recorded with ultrafast experimental techniques. The exact time evolution of a molecular…
A non-perturbative analysis of the Bhatnagar-Gross-Krook (BGK) model kinetic equation for finite values of the Knudsen number is presented. This analysis indicates why discrete kinetic versions of the BGK equation, and notably the Lattice…
We present a new numerical algorithm based on a relative energy scaling for collisional kinetic equations allowing to study numerically their long time behavior, without the usual problems related to the change of scales in velocity…
We present a Direct Simulation Monte Carlo (DSMC) method for the spatially homogeneous multispecies Landau-Fokker-Planck equation. The scheme is derived from a first-order approximation of the multispecies Boltzmann operator in the grazing…
Due to a hard dependency between time steps, large-scale simulations of gas using the Direct Simulation Monte Carlo (DSMC) method proceed at the pace of the slowest processor. Scalability is therefore achievable only by ensuring that the…
In this article we focus on kinetic equations for gas mixtures since in applications one often has to deal with mixtures instead of a single gas. In particular we consider an approximation of the Boltzmann equation, the…
The Bhatnagar-Gross-Krook (BGK) model, a simplification of the Boltzmann equation, in the absence of boundary effect, converges to the Euler equations when the Knudsen number is small. In practice, however, Knudsen layers emerge at the…
A method based on the simple shear flow modified by the introduction of a deterministic non-conservative force and a stochastic process is proposed to measure the Navier-Stokes shear viscosity in a granular fluid described by the Enskog…
The numerical simulation of rarefied gas mixture dynamics with disparate masses using the direct simulation Monte Carlo (DSMC) method is slow, primarily because the time step is constrained by that of the lighter species, necessitating an…
Bhatnagar-Gross-Krook (BGK) collision kernel is employed in the Boltzmann equation to formulate relativistic dissipative hydrodynamics. In this formulation, we find that there remains freedom of choosing a matching condition that affects…
This paper presents a perspective in which Direct Simulation Monte Carlo (DSMC) is viewed not in its traditional role as an algorithm for solving the Boltzmann equation but as a numerical method for statistical mechanics. First, analytical…
The general synthetic iterative scheme (GSIS) has proven its efficacy in modeling rarefied gas dynamics, where the steady-state solutions are obtained after dozens of iterations of the Boltzmann equation, with minimal numerical dissipation…
We propose an accurate and efficient method to compute vibrational spectra of molecules, based on exact diagonalization of an algebraically calculated matrix based on powers of Morse coordinate. The present work focuses on the 1D potential…
The (stationary) Schr\"{o}dinger equation for atomistic systems is solved using the adiabatic potential energy curves (PECs) and the associated adiabatic approximation. Despite being very simplistic, this approach is very powerful and used…
We consider the socalled Bathnagar-Gross-Krook (BGK) model, an approximation of the Boltzmann equation, describing the time evolution of a single momoatomic rarefied gas and satisfying the same two main properties (conservation properties…
In this paper, a semi-Lagrangian gas-kinetic scheme is developed for smooth flows based on the Bhatnagar-Gross-Krook (BGK) equation. As a finite-volume scheme, the evolution of the average flow variables in a control volume is under the…