In this paper we introduce a bulk -surface reaction -diffusion (BS -RD) model in three space dimensions (3D) that extends the so-called DIB morphochemical model to account for the electrolyte contribution in the application, in order to study structure formation during discharge -charge processes in batteries. Here we propose to approximate the model by the bulk -surface virtual element method (BS-VEM) on a tailor-made mesh that proves to be competitive with fast bespoke methods for PDEs on Cartesian grids. We present a selection of numerical simulations that accurately match the classical morphologies found in experiments. Finally, we compare the Turing patterns obtained by the coupled 3D BS -RD model with those obtained with the original 2D version.

Turing patterns in a 3D morpho-chemical bulk-surface reaction-diffusion system for battery modeling

Frittelli, Massimo
;
Sgura, Ivonne;Bozzini, Benedetto
2024-01-01

Abstract

In this paper we introduce a bulk -surface reaction -diffusion (BS -RD) model in three space dimensions (3D) that extends the so-called DIB morphochemical model to account for the electrolyte contribution in the application, in order to study structure formation during discharge -charge processes in batteries. Here we propose to approximate the model by the bulk -surface virtual element method (BS-VEM) on a tailor-made mesh that proves to be competitive with fast bespoke methods for PDEs on Cartesian grids. We present a selection of numerical simulations that accurately match the classical morphologies found in experiments. Finally, we compare the Turing patterns obtained by the coupled 3D BS -RD model with those obtained with the original 2D version.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11587/518226
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