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Monte Carlo (MC) simulations of lattice models are a widely used way to compute thermodynamic properties of substitutional alloys. A limitation to their more widespread use is the difficulty of driving a MC simulation in order to obtain the…

Statistical Mechanics · Physics 2009-11-07 A. van de Walle , M. Asta

Five parameters of a model of a polymer electrolyte membrane fuel cell cathode (the porosity of the gas diffusion layer, the porosity of the catalyst layer, the exchange current density of the oxygen reduction reaction, the effective ionic…

Materials Science · Physics 2013-08-22 Qingzhi Guo , Vijay A. Sethuraman , Ralph E. White

A lattice Boltzmann model was proposed to simulate electrowetting-on-dielectric (EWOD). The insulative vapor and the electrolyte liquid droplet were simulated by the lattice Boltzmann method respectively, and the linear property between…

Computational Physics · Physics 2011-11-10 Huabing Li , Jian Li , YanYan Chen , Haiping Fang

We investigate the effects of geometrical micro-irregularities on the conversion efficiency of reactive flows in narrow channels of millimetric size. Three-dimensional simulations, based upon a Lattice-Boltzmann-Lax-Wendroff code, indicate…

Fluid Dynamics · Physics 2009-11-07 S. Succi , A. Gabrielli , G. Smith , E. Kaxiras

Minimal Boltzmann kinetic models, such as lattice Boltzmann, are often used as an alternative to the discretization of the Navier-Stokes equations for hydrodynamic simulations. Recently, it was argued that modeling sub-grid scale phenomena…

A lattice Boltzmann model for amphiphilic fluid dynamics is presented. It is a ternary model, in that it conserves mass separately for each chemical species present (water, oil, amphiphile), and it maintains an orientational degree of…

Soft Condensed Matter · Physics 2009-10-31 Hudong Chen , Bruce M. Boghosian , Peter V. Coveney

The formation of self assembled structures such as micelles has been intensively studied and is well understood. The ability of a solution of amphiphilic molecules to develop micelles is depending on the concentration and characterized by…

Soft Condensed Matter · Physics 2019-05-13 Simon Raschke , Andreas Heuer

A new lattice Boltzmann model (LBM) is presented to describe chemically reacting multicomponent fluid flow in homogenised porous media. In this work, towards further generalizing the multicomponent reactive lattice Boltzmann model, we…

Fluid Dynamics · Physics 2024-09-06 Nilesh Sawant , Ilya Karlin

A new lattice Boltzmann model (LBM) for chemically reactive mixtures is presented. The approach capitalizes on the recently introduced thermodynamically consistent LBM for multicomponent mixtures of ideal gases. Similar to the non-reactive…

Fluid Dynamics · Physics 2021-10-04 N. Sawant , B. Dorschner , I. V. Karlin

We report an in-vivo electromechanical Atomic Force Microscopy (AFM) study of charge distribution on the cell wall of Gram plus Rhodococcus wratislaviensis bacteria, naturally adherent to a glass substrate, in physiological conditions. The…

Soft Condensed Matter · Physics 2015-06-11 Christian Marliere , Samia Dhahri

This report presents some of the key laboratory electrochemical battery testing methods that are used in fuel cell research. Methods such as voltammetry, chronoamperometry, chronopotentiometry, and electrochemical impedance spectroscopy are…

Materials Science · Physics 2022-09-30 Shahbaz Ahmad , Mehmet Egilmez

The improvement of Li-ion battery performance requires development of models that capture the essential physics and chemistry in Li-ion battery electrode materials. In this paper a novel electrochemical phase-field model is presented that…

Gas diffusion electrodes are commonly used in high energy density metal-air batteries for the supply of oxygen. Hydrophobic binder materials ensure the coexistence of gas and liquid phase in the pore network. The phase distribution has a…

Fluid Dynamics · Physics 2017-02-16 Timo Danner , Santhana Eswara , Volker P. Schulz , Arnulf Latz

Molecular Communications (MC) is a bio-inspired paradigm for transmitting information using chemical signals, which can enable novel applications at the junction of biotechnology, nanotechnology, and information and communication…

Emerging Technologies · Computer Science 2023-08-03 Iman Mokari Bolhassan , Ali Abdali , Murat Kuscu

We study the time evolution and driven motion of thin liquid films lying on top of chemical patterns on a substrate. Lattice-Boltzmann and molecular dynamics methods are used for simulations of the flow of microscopic and nanoscopic films,…

Soft Condensed Matter · Physics 2012-04-04 Fabian Dörfler , Markus Rauscher , Joel Koplik , Jens Harting , S. Dietrich

Over the last two decades, lattice Boltzmann methods have become an increasingly popular tool to compute the flow in complex geometries such as porous media. In addition to single phase simulations allowing, for example, a precise…

Understanding how to structure a porous electrode to facilitate fluid, mass, and charge transport is key to enhance the performance of electrochemical devices such as fuel cells, electrolyzers, and redox flow batteries (RFBs). Using a…

Fluid Dynamics · Physics 2024-06-19 Simone Dussi , Chris H. Rycroft

Atomic Force Microscopy (AFM) has a great potential as a tool to characterize mechanical and morphological properties of living cells; these properties have been shown to correlate with cells' fate and patho-physiological state in view of…

Soft Condensed Matter · Physics 2017-06-21 Luca Puricelli , Massimiliano Galluzzi , Carsten Schulte , Alessandro Podestà , Paolo Milani

Bacterial cells exhibit a diverse array of shapes and sizes, largely governed by their cell walls in conjunction with cytoskeletal proteins and internal turgor pressure. The present study develops a theoretical framework for modeling the…

Biological Physics · Physics 2024-09-25 Joydip Chaudhuri

A high-performance implementation of a multiphase lattice Boltzmann method based on the conservative Allen-Cahn model supporting high-density ratios and high Reynolds numbers is presented. Metaprogramming techniques are used to generate…

Fluid Dynamics · Physics 2020-12-14 Markus Holzer , Martin Bauer , Ulrich Rüde
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