Related papers: Capturing membrane structure and function in latti…
The MDLG method establishes a direct link between a lattice-gas method and the coarse-graining of a Molecular Dynamics approach. Due to its connection to Molecular Dynamics, the MDLG rigorously recovers the hydrodynamics and allows to…
High-resolution porous structures of catalyst layer (CL) with multicomponent in proton exchange membrane fuel cells are reconstructed using a reconstruction method called quartet structure generation set. Characterization analyses of…
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…
Malignant membranes cluster nutrient transporters within glycan-rich domains, sustaining metabolism through redundant intake routes. A theoretical framework links interfacial chemistry to transport suppression and energetic or redox…
In transport theory, physical phenomena are well described using the Boltzmann equation, which is efficiently simulated and discretized with the lattice Boltzmann method. The collision step defines the microscopic molecules behavior, and…
The entropic lattice Boltzmann algorithm of Karlin et. al. is partially extended to magnetohydrodynamics, based on the Dellar model of introducing a vector distribution for the magnetic field. This entropic ansatz is now applied only to the…
We present a numerical study of the dynamics of a non-ideal fluid subject to a density-dependent pseudo-potential characterized by a hierarchy of nested attractive and repulsive interactions. It is shown that above a critical threshold of…
Solute transport in fluid-particle systems is a fundamental process in numerous scientific and engineering disciplines. The simulation of it necessitates the consideration of solid particles with intricate shapes and sizes. To address this…
In this paper, we consider the Boltzmann equation with respect to orthonormal vielbein fields in conservative form. This formalism allows the use of arbitrary coordinate systems to describe the space geometry, as well as of an adapted…
A general lattice Boltzmann method for simulation of fluids with tailored transport coefficients is presented. It is based on the recently introduced quasi-equilibrium kinetic models, and a general lattice Boltzmann implementation is…
Cell polarity refers to the spatial asymmetry of molecules on the cell membrane. Altschuler, Angenent, Wang and Wu have proposed a stochastic model for studying the emergence of polarity in the presence of feedback between molecules. We…
We present a general phase-space kinetic model for charged particle transport through combined localised and delocalised states, capable of describing scattering collisions, trapping, detrapping and losses. The model is described by a…
We propose a novel approach in the study of transport phenomena in dense systems or systems with long range interactions where multiple particle interactions must be taken into consideration. Within Boltzmann's kinetic formalism, we study…
The motion of ionic solutes and charged particles under the influence of an electric field and the ensuing hydrodynamic flow of the underlying solvent is ubiquitous in aqueous colloidal suspensions. The physics of such systems is described…
Biological membranes constitute boundaries of cells and cell organelles. Physico-chemical mechanisms at the atomic scale are dictated by protein-lipid interaction strength, lipid composition, lipid distribution in the vicinity of the…
A multiscale approach is used to simulate the translocation of DNA through a nanopore. Within this scheme, the interactions of the molecule with the surrounding fluid (solvent) are explicitly taken into account. By generating polymers of…
A Multi-scale Boltzmann Equation (MBE) is found from the gas-kinetic theory and the direct modeling philosophy as a master equation for complex physical systems of neutral gases across all flow regimes, which locates between the continuum…
A generalized Landauer formula, derived with the methods due to Keldysh, and Baym and Kadanoff, is gaining widespread use in the modeling of transport in a large number of different mesoscopic systems. We review some of the recent…
The phenomenological textbook equations for the charge and heat transport are extensively used in a number of fields ranging from semiconductor devices to thermoelectricity. We provide a rigorous derivation of transport equations by solving…
Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann generators tackle this problem by pairing normalizing flows with importance sampling to obtain uncorrelated…