Microstructure Scale Lithium-Ion Battery Modeling: Part II. On In-Plane Heterogeneities and the Mechanisms that Regulate Them

Journal Article · Wed Sep 17 00:00:00 EDT 2025 · Journal of the Electrochemical Society

DOI:https://doi.org/10.1149/1945-7111/ae04a2· OSTI ID:3011915

Usseglio-Viretta, Francois ^[1]; Colclasure, Andrew ^[1]; Allen, Jeffery ^[1]; Weddle, Peter ^[1]; Finegan, Donal ^[1]; Graf, Peter ^[1]; Smith, Kandler ^[1]

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1. National Renewable Energy Lab., Golden, CO (United States)

Li-ion batteries performance and degradation are typically modeled at the macroscopic scale, that is neglecting in-plane heterogeneities that can arise from non-uniform electrode microstructures. Herein, a microstructure scale electrochemical model is used to quantify the impact of microstructure heterogeneity on cell performance during fast charging. The model predicts the electrolyte and solid concentration in-plane standard deviation can reach, respectively, ~200 mol.m-3 and 6-7 kmol.m-3 locally. Further, the intercalation current density in-plane relative standard deviation can reach extremely high values, around 100% in the cathode and well above 100% in the anode graphite. These denote highly non-uniform lithiation rates and material utilization within each slice of the microstructure along the cell thickness. Non-uniform curvatures, at the particle scale (surface roughness) and between particles (size distribution), were found to initiate these in-plane heterogeneities, while an OCP-induced mechanism subsequently regulates them. The present model provides new insights into small length scale heterogeneity impact on battery performance not available with standard macro-scale/P2D modeling.

• Research Organization: National Renewable Energy Laboratory (NREL), Golden, CO (United States)
• Sponsoring Organization: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office
• DOE Contract Number: AC36-08GO28308
• OSTI ID: 3011915
• Report Number(s): NREL/JA-5700-92172
• Journal Information: Journal of the Electrochemical Society, Journal Name: Journal of the Electrochemical Society Journal Issue: 9 Vol. 172
• Country of Publication: United States
• Language: English

Related Subjects

25 ENERGY STORAGE
lithium ion battery
microstructure scale modeling
representativity