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.
KeywordsStochastic 3D microstructure modeling Lithium-ion cell anodes Lithium-ion cell cathodes Gaussian random fields on the sphere
- 5.Dunn, J.B., Gaines, L., Barnes, M., Wang, M., Sullivan, J.: Material and energy flows in the materials production, assembly, and end-of-life stages of the automotive lithium-ion battery life cycle. Technical report, Argonne National Laboratory (ANL) (2012)Google Scholar
- 8.Feinauer, J., Hein, S., Rave, S., Schmidt, S., Westhoff, D., Zausch, J., Iliev, O., Latz, A., Ohlberger, M., Schmidt, V.: MULTIBAT: unified workflow for fast electrochemical 3D simulations of lithium-ion cells combining virtual stochastic microstructures, electrochemical degradation models and model order reduction. J. Comput. Sci. (2018, in print)Google Scholar
- 23.Pfaffmann, L., Birkenmaier, C., Müller, M., Bauer, W., Mitsch, T., Feinauer, J., Scheiba, F., Hintennach, A., Schleid, T., Schmidt, V., Ehrenberg, H.: Investigation of the electrochemical active surface area and lithium diffusion in graphite anodes by a novel OsO4 staining method. J. Power Sourc. 307, 762–771 (2016)CrossRefGoogle Scholar