Diffuse Interface Description, Phase Field Method toward Image-Based Simulations of Material Microstructures - Applications in Battery Electrode Design

by Prof. Hui-Chia Yu (Department of Computational, Mathematics, Science and Engineering/Department of Chemical Engineering and Materials Science, Michigan State University (USA))

Wednesday 25 Mar 2026, 13:30 → 15:30 Asia/Taipei

L124, Physics Building (NTHU)

Microstructure simulations are very challenging due to the difficulties in generating conformal meshes to the complex geometries, which however is required for solving the relevant governing differential equations. In this presentation, we introduce an embedded boundary method, smoothed boundary method (SBM), that circumvents the tedious conformal mesh generation by using voxels as the grid points in simulations. By skipping conformal meshing, this method rapidly accelerates simulation procedures involving complex microstructures that often hurdle direct electrode microstructural level simulations. Thanks to the capability of rapidly implementing direct imaged-based simulations, we will demonstrate a high-throughput framework of autonomous high fidelity microstructure electrochemical simulations to screen optimal secondary structures, e.g., tunnels, for high-rate charge of thick electrodes. As we are open sourcing this simulation framework, we believe this tool is greatly useful for battery developers and materials scientists.