Together with our partners from the MaDE group at ETH Zurich, Math2Market was able to develop and validate the beta version of what was then called DegraDict. After the development, DegraDict was integrated into the BatteryDict module of GeoDict as BatteryDict Degradation.

This Add-on to the BatteryDict module is available in the GeoDict 2023, released in January 2023. Scientific validation is underway in the form of a joint publication in the Journal of the Electrochemical Society [1].

Fig. 1 By automatically coupling the electrochemical simulation with the mechanical simulation, BatteryDict-Degradation can be used to simulate and improve the mechanical behavior of a battery during cycling on the microscale. Adapted from [1].

By automatically coupling electrochemical simulation (BatteryDict, BatteryLIR) with mechanical simulation (ElastoDict-LD, FeelMath), BatteryDict-Degradation will enable our clients to simulate volumetric changes and the associated mechanical stresses during the cycling of a battery starting in November 2022 with the GeoDict 2023 release. This will allow to analyze the battery's performance and aging behavior and to find ways to improve them on the microscale.

Fig. 2 Mechanical stress in a representative volume of a battery cell simulated with BatteryDict-Degradation. For validation, two different material parameters for the local expansion coefficient were tested for the graphite in the anode and for NMC in the cathode: Parameters determined from XTM measurements (a-c) and material parameters determined from XRD measurements. Adapted from [1].

In the future, Math2Market has big plans: In addition to damage models and active material cracking models, we will also implement electrochemical aging effects, such as SEI formation and Li plating. Our vision is to develop GeoDict with BatteryDict-Degradation into the complete simulation platform for digital testing and design of batteries at the microscale.

We thank Nils Wenzler, Dr. Raphael Zahn and Prof. Vanessa Wood from the MaDE group as well as the whole MaDE team for the excellent collaboration. We look forward to many more exciting joint projects in the future!

[1] Nils Wenzler, Sebastian Rief, Sven Linden, Fabian Biebl, Samuel Rütsche, Ilona Glatt, Anja Streit, Raphael Zahn, Mathias Fingerle, Vanessa Wood, 3D electrochemical-mechanical battery simulation tool: implementation with full cell simulations and verification with operando x-ray tomography, submitted to JECS.