Related papers: Modelling Microbial Fuel Cells using lattice Boltz…
In this paper, we present a study on how to develop an efficient multiscale simulation strategy for the dynamics of chemically active systems on low-dimensional supports. Such reactions are encountered in a wide variety of situations,…
In this paper, a new progressive mesh algorithm is introduced in order to perform fast physical simulations by the use of a lattice Boltzmann method (LBM) on a single-node multi-GPU architecture. This algorithm is able to mesh automatically…
This article presents a methodology that aims to model and to provide predictive capabilities for the lifetime of Proton Exchange Membrane Fuel Cell (PEMFC). The approach integrates parametric identification, dynamic modeling, and Extended…
Generative models based on invertible transformations provide a physics-aware route to sample equilibrium configurations directly from the Boltzmann distribution, enabling efficient exploration of complex thermodynamic landscapes. Here, we…
The physical behaviour of a class of mesoscopic models for multiphase flows is analyzed in details near interfaces. In particular, an extended pseudo-potential method is developed, which permits to tune the equation of state and surface…
The life of a cell is governed by highly dynamical microscopic processes. Two notable examples are the diffusion of membrane receptors and the kinetics of transcription factors governing the rates of gene expression. Different fluorescence…
We present a computational microscopy analysis (targeted molecular dynamics simulations) of the structure and performance of conductive metal organic framework (MOF) electrodes in supercapacitors with room temperature ionic liquids. The…
A mesoscopic multi-component lattice Boltzmann model with short-range repulsion between different species and short/mid-ranged attractive/repulsive interactions between like-molecules is introduced. The interplay between these composite…
We introduce a mesoscopic three-dimensional Lattice Boltzmann Model which attempts to mimick the physical features associated with cage effects in dynamically heterogeneous fluids. To this purpose, we extend the standard Lattice Boltzmann…
The pseudopotential model within the Lattice Boltzmann Method (LBM) framework has emerged as a prominent approach in computational fluid dynamics due to its dual strengths in physical intuitiveness and computational tractability. However,…
We compare two recently developed mesoscale models of binary immiscible and ternary amphiphilic fluids. We describe and compare the algorithms in detail and discuss their stability properties. The simulation results for the cases of…
The role of geometrical micro-barriers on the conversion efficiency of reactive flows in narrow three-dimensional channels of millimetric size is investigated. Using a Lattice-Boltzmann-Lax-Wendroff code, we show that micro-barriers have an…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
We develop a lattice Boltzmann equation method for simulating multi-phase immiscible fluid flows with variation of density and viscosity, based on the model proposed by Gunstensen {\em et al} for two-component immiscible fluids. The…
The development of high-efficiency porous catalyst membranes critically depends on our understanding of where the majority of the chemical conversions occur within the porous structure. This requires mapping of chemical reactions and mass…
We present a novel lattice Boltzmann method that has a capability of simulating thermodynamic multiphase flows. This approach is fully thermodynamically consistent at the macroscopic level. Using this new method, a liquid-vapor boiling…
The capacity to predict and control bioprocesses is perhaps one of the most important objectives of biotechnology. Computational simulation is an established methodology for the design and optimization of bioprocesses, where the finite…
Lattice Boltzmann Models (LBM) and Phase Field Models (PFM) are two of the most widespread approaches for the numerical study of multicomponent fluid systems. Both methods have been successfully employed by several authors but, despite…
This paper reports a mass transfer model of a reactant flowing in a large aspect ratio microfluidic chip made of a channel with electrodes on the side walls. A semi-analytical solution to the two-dimensional Fickian diffusion of a reactant…
Micro fuel cells ($\mu$-FC) represent promising power sources for portable applications. Today, one of the technological ways to make $\mu$-FC is to have recourse to standard microfabrication techniques used in the fabrication of micro…