Advancement in Chemo-Mechanical Modeling for All-Solid-State Batteries Using the Discrete Element Method

This summary outlines the development of a particle-based model for All-Solid-State Batteries (ASSBs) for simulating fabrication and cell operation, integrating mechanical deformation and electrochemical reactions. Initially, an elasto-plastic particle contact model was established, enabling simulation of elastic and plastic deformation during mold pressing. By representing the Active Material (AM) as aggregates of primary particles, we could calculate AM fragmentation. Further advancements allowed us to compute diffusion and electric percolation within AM and conduction within the Solid Electrolyte (SE) based on particle contact areas. We were able to assess AM damage and contact losses from both fabrication and charge cycling, and evaluate its impact on capacity fade. These new approaches are instrumental in understanding the design for future high-performance ASSBs.