A Numerical Investigation of Granular Structure Influences on Battery Performances

This project aims to develop a comprehensive computational framework to investigate how granular structures within the cathode electrode of lithium-ion batteries affect performance. The framework begins with a hybrid continuum-discrete simulation approach, coupling the Discrete Element Method (DEM) for modeling rigid active particles and the Material Point Method (MPM) for simulating the deformable carbon-binder domain (CBD). This allows for realistic modeling of microstructural evolution during manufacturing processes such as calendering. The resulting granular structures are converted into high-fidelity computational meshes using a meshing strategy inspired by the Particle Finite Element Method (PFEM), tailored to handle the complexity of 3D geometries.

The final stage of this research focuses on continuum-scale multiphysics simulations. These simulations, conducted using general-purpose finite element solver software, incorporate coupled electrochemical and mechanical physics to evaluate battery performance under realistic operating conditions. By bridging microstructural modeling with continuum-scale analysis, the project aims to reveal how features such as particle size, shape, distribution, and porosity influence performance metrics like ion transport, stress development, and degradation. The findings will guide the design of more reliable, efficient, and durable battery systems.

Doctoral Researcher: Asli Tabak Cevit

Scientific Advisor: Yupeng Jiang, Pierre-Alain Boucard