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

TL;DR

This paper develops a 3D bulk-surface reaction-diffusion model for battery discharge-charge processes, introducing a novel numerical method and demonstrating its ability to replicate experimental morphologies and compare with 2D models.

Contribution

The paper extends the DIB morphochemical model to 3D with electrolyte effects and introduces a virtual element method for efficient simulation.

Findings

Accurately reproduces classical morphologies in simulations.

Demonstrates the effectiveness of the Virtual Element Method.

Provides a comparison between 3D and 2D Turing patterns.

Abstract

In this paper we introduce a bulk-surface reaction-diffusion (BSRD) model in three space dimensions that extends the 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 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-DIB model with those obtained with the original 2D version.