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We demonstrate and characterize a first-principles approach to modeling the mass action dynamics of metabolism. Starting from a basic definition of entropy expressed as a multinomial probability density using Boltzmann probabilities with…

Chemical Physics · Physics 2024-07-10 William R. Cannon , Samuel Britton , Mikahl Banwarth-Kuhn , Mark Alber

In this paper, we give an overview of the results established in [3] which provides the first rigorous derivation of hydrodynamic equations from the Boltzmann equation for inelastic hard spheres in 3D. In particular, we obtain a new system…

Analysis of PDEs · Mathematics 2022-05-04 Ricardo J. Alonso , Bertrand Lods , Isabelle Tristani

We propose a multi-component discrete Boltzmann model (DBM) for premixed, nonpremixed, or partially premixed nonequilibrium reactive flows. This model is suitable for both subsonic and supersonic flows with or without chemical reaction…

Computational Physics · Physics 2020-06-30 Chuandong Lin , Kai Hong Luo , Linlin Fei , Sauro Succi

We present a novel approach to kinetic theory modeling enabling the simulation of a generic, real gas presented by its corresponding equation of state. The model is based on mass, momentum and energy conservation, and unlike the lattice…

Fluid Dynamics · Physics 2020-02-25 Ehsan Reyhanian , Benedikt Dorschner , Ilya Karlin

A kinetic equation for a dilute gas of hard spheres confined between two parallel plates separated a distance smaller than two particle dimeters is derived. It is a Boltzmann-like equation, which incorporates the effect of the confinement…

Statistical Mechanics · Physics 2016-11-23 J. Javier Brey , P. Maynar , M. I. García de Soria

The connection between the Maximum Entropy (MaxEnt) formalism and Restricted Boltzmann Machines (RBMs) is natural, as both give rise to a Boltzmann-like distribution with constraints enforced by Lagrange multipliers, which corresponds to…

Quantum Physics · Physics 2025-04-07 Vinit Singh , Rishabh Gupta , Manas Sajjan , Francoise Remacle , Raphael D. Levine , Sabre Kais

In this article, we propose a generalized model for nonequilibrium vibrational energy distribution functions. The model can be used, in place of equilibrium (Boltzmann) distribution functions, when deriving reaction rate constants for…

Chemical Physics · Physics 2020-07-15 Narendra Singh , Thomas Schwartzentruber

This work explores the feasibility of performing three-dimensional molecular gas dynamics simulations of hypersonic flows such as re-entry vehicles through directly solving the six-dimensional nonlinear Boltzmann equation closed with the…

Fluid Dynamics · Physics 2023-12-12 Tarik Dzanic , Luigi Martinelli

This review is a kinetic theory study investigating the effects of inelasticity on the structure of the non-equilibrium states, in particular on the behavior of the velocity distribution in the high energy tails. Starting point is the…

Statistical Mechanics · Physics 2007-05-23 R. Brito , M. H. Ernst

In a recent paper [1] the scattering and transport of excess electrons in liquid argon in the hydrodynamic regime was investigated, generalizing the seminal works of Lekner and Cohen [2,3] with modern scattering theory techniques and…

Computational Physics · Physics 2017-10-02 G. J. Boyle , D. G. Cocks , W. J. Tattersall , R. P. McEachran , R. D. White

In this paper, we rigorously derive a Boltzmann equation for mixtures from the many body dynamics of two types of hard sphere gases. We prove that the microscopic dynamics of two gases with different masses and diameters is well defined,…

Analysis of PDEs · Mathematics 2021-04-30 Ioakeim Ampatzoglou , Joseph K. Miller , Nataša Pavlović

We develop the stochastic approach to thermodynamics based on the stochastic dynamics, which can be discrete (master equation) continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of…

Statistical Mechanics · Physics 2015-06-11 Tânia Tomé , Mário J. de Oliveira

We present the perturbative solution of the multicomponent Boltzmann kinetic equation based on the set of observables including the hydrodynamic velocity and temperature for each component. The solution is obtained by modifying the formal…

Statistical Mechanics · Physics 2008-01-23 S. V. Savenko , E. A. J. F. Peters , P. J. A. M. Kerkhof

The concept of equilibrium is a general tool to fill the gap between macroscopic and mesoscopic information, both within kinetic systems and kinetic schemes. This work explores the use of equilibria to devise numerical boundary conditions…

Numerical Analysis · Mathematics 2025-05-26 Denise Aregba-Driollet , Thomas Bellotti

Boltzmann equation describes the time development of the velocity distribution in the continuum fluid matter. We formulate the equation using the field theory where the {\it velocity-field} plays the central role. The properties of the…

High Energy Physics - Theory · Physics 2015-11-17 Shoichi Ichinose

Maximum-entropy moment methods allow for the modelling of gases from the continuum regime to strongly rarefied conditions. The development of approximated solutions to the entropy maximization problem has made these methods computationally…

Fluid Dynamics · Physics 2024-01-30 Stefano Boccelli , Willem Kaufmann , Thierry E. Magin , James G. McDonald

This paper generalizes the entropy maximization problem leading to the Boltzmann-Gibbs distribution through the nonadditive entropy $S_{q,s}(p)=k_{s}\sum^{W}_{i\geq1}p_{i}\ln_{q}1/p_{i}$, $q\in(0,1)$, which is a rescaled version of $S_{q}$…

Mathematical Physics · Physics 2025-12-02 Leandro Lyra Braga Dognini

A general framework for the kinetic modelling of non-relativistic polyatomic gases is proposed,where each particle is characterized both by its velocity and by its internal state, and the Boltzmann collisionoperator involves suitably…

Mathematical Physics · Physics 2023-01-05 Thomas Borsoni , Marzia Bisi , Maria Groppi

In this paper, a Burnett-level discrete Boltzmann model (DBM) is proposed for the compressible flow in a force field, and a discrete velocity set with 25 velocities is constructed for the DBM, featuring good spatial symmetry. In the…

Fluid Dynamics · Physics 2025-02-05 Suni Chen , Chuandong Lin , Demei Li , Huilin Lai

The Boltzmann distribution connects the energetics of an equilibrium system with its statistical properties, and it is desirable to have a similar principle for non-equilibrium systems. Here, we derive a variational principle for the…

Statistical Mechanics · Physics 2025-11-05 Atul Tanaji Mohite , Heiko Rieger