Spatially-Resolved Modeling of Three-Dimensionally Reconstructed Li-Ion Battery Electrode Microstructures

Edwin Garcia
Purdue University

Three-dimensional simulations of battery electrode microstructures extracted from X-ray tomography data have been used to quantify the effect of the individual microstructural features on the electrochemical response during galvanostatic discharge. Spatially resolved electrochemical calculations are performed to quantify the effect of connected and isolated porosity on the macroscopic capacity of the cell. The impact of surface roughness and fully dense regions are assessed and compared to previous two-dimensional work. The underlying complex microstructural behavior is statistically analyzed in order to identify relevant morphological features and thermodynamic conditions that favor dendritic growth, intercalation-induced fracture, and salt precipitation. Microstructure parameters that improve battery response are discussed

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