3D microstructure modeling and simulation of materials in lithium-ion battery cells

The microstructure of lithium-ion battery electrodes has a major influence on the performance and durability of lithium-ion batteries. In this paper, an overview of a general framework for the simulation of battery electrode microstructures is presented. A multistep approach is used for the generation of such particle-based materials. First, a ‘host lattice’ for the coarse structure of the material and the placement of particles is generated. Then, several application-specific rules, which, e.g., influence connectivity are implemented. Finally, the particles are simulated using Gaussian random fields on the sphere. To show the broad applicability of this approach, three different applications of the general framework are discussed, which allow to model the microstructure of anodes of energy and power cells as well as of cathodes of energy cells. Finally, the validation of such models as well as applications together with electrochemical transport simulation are presented.