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We present a simulation workflow for efficient investigations of theinterplay between 3D lithium-ion electrode microstructures and electrochemicalperformance, with emphasis on lithium plating. Our approach addresses severalchallenges. First, the 3D microstructures of porous electrodes are generated bya parametric stochastic model, in order to significantly reduce the necessityof tomographic imaging. Secondly, we integrate a consistent microscopic, 3Dspatially-resolved physical model for the electrochemical behavior of thelithium-ion cells taking lithium plating and stripping into account. Thishighly non-linear mathematical model is solved numerically on the complex 3Dmicrostructures to compute the transient cell behavior. Due to the complexityof the model and the considerable size of realistic microstructures even asingle charging cycle of the battery requires several hours computing time.This renders large scale parameter studies extremely time consuming. Hence, wedevelop a mathematical model order reduction scheme. We demonstrate how theseaspects are integrated into one unified workflow, which is a step towardscomputer aided engineering for the development of more efficient lithium-ioncells.

journal of computational science

MULTIBAT: Unified workflow for fast electrochemical 3D simulations of  lithium-ion cells combining virtual stochastic microstructures,  electrochemical degradation models and model order reduction