Digital Twin Battery Modeling and Simulations with GeoDict: An innovative Analysis and Design Tool for Rechargeable Batteries

GeoDict is an innovative tool to construct electrode structures efficiently with limited design parameters and simulate them to obtain various physical, electrochemical, mechanical, and thermal properties. Over the last 10 years, we have extensively used GeoDict in combination with other simulation tools, not only for all-solid-state batteries (ASSBs) but also for lithium-ion batteries (LIBs) to [1] visualize the microstructures of composite electrodes, [2] quantify the specific contact area between electrode components, [3] calculate effective electronic or ionic conductivity, and [4] estimate voltage profiles, overpotentials, and lithium ion concentrations during cycling. In this presentation, we will introduce how we have utilized GeoDict for various battery research studies. Specifically, recent simulation studies on structural deformation of composite electrodes or separators will be presented in detail. Finally, we will share which functions could ideally be integrated into GeoDict to ensure efficient battery research in the future.

[1] Energy Storage Materials 19 (2019) 124-129;  [2] Nano Energy 62 (2019) 810-817; [3] Chemical Engineering Journal 391 (2020) 1235282; [4] Advanced Energy Materials 10(35) (2020) 2001563; [5] ACS Energy Letters 5(9) (2020) 2995-3004; [6] Nano Energy 79 (2021) 105456; [7] Energy Storage Materials 41 (2021) 289-296; [8] Advanced Energy Materials 12 (2022) 2103108; [9] Energy Storage Materials 49 (2022) 481-492; [10]  Nano Energy 102 (2022) 107679; [11] Energy Storage Materials 55 (2023) 193-204; [12]  Advanced Energy Materials 13 (2023) 2204328; [13] Advanced Energy Materials 13 (2023) 2300172; [14] Advanced Energy Materials 14 (2024) 2302596; [15] Advanced Materials 36 (2024) 2308592; [16] ACS Energy Letters 9 (2024) 5225-5239