This conference paper was submitted for presentation at the NAFEMS World Congress 2025, held in Salzburg, Austria from May 19–22, 2025.

Abstract

All-solid-state batteries (ASSBs) are considered the most promising technology to significantly enhance the range of electric vehicles. ASSBs are strong candidates for the next generation of batteries for automotive and aviation applications due to their increased energy density and improved safety achieved by eliminating flammable liquid electrolytes. The 3D morphology of the electrode microstructure in ASSBs has greater impact on their performance than in conventional lithium-ion electrodes. The DELFIN collaborative research project presented here seeks to develop an experimentally validated simulation model for the digital material design of ASSBs embedded into existing software packages to enable research of structural designs in ASSB technology. To accomplish this, ASSB electrodes with varied structural compositions are initially synthesized and characterized electrochemically by Justus Liebig University Giessen. Next, RJL Micro & Analytic employs advanced multichannel µCT imaging techniques to capture detailed tomographic data of their microstructures. This 3D imaging data serves as a foundation for calibrating stochastic structure models developed by Ulm University, enabling the generation of additional virtual ASSB microstructures with varied structural characteristics. Numerical performance simulations on these virtual structures establish key microstructure-property relationships and provide guidelines for the optimized design of the electrodes. Furthermore, the integration of electrochemical studies with 3D µCT data aids the creation of a statistical digital twin, which is used to validate the simulation model. A parametric structure generator for ASSB cathodes is also under development for streamlining ASSB research and establishing a robust workflow for continuous ASSB innovation and design. In this work, we focus on the image processing and image segmentation, the creation of the digital twin, and the simulation of charging and discharging of ASSB based on the detailed 3D microstructure. This approach significantly reduces the need for costly and time-consuming experimental trial-and-error methods in the design of materials. As a result, the industrial development of high-performance ASSBs can be accelerated and made more economically competitive. The developed simulation model serves as a tool for original equipment manufacturers (OEMs), battery producers, material suppliers, and academic researchers to better predict and evaluate future battery trends.