Physics-Based Modeling and Validation of a Commercial Graphite-Lithium Manganese Iron Phosphate Cylindrical Cell Based on Teardown Derived Parameters

Abstract Lithium manganese iron phosphate (LMFP) is an attractive cathode candidate for lithium-ion batteries in electric vehicles, but physics-based simulations demand cell-specific parameter sets, which are still largely unavailable for commercial LMFP cells. In this study, we disassemble a commercial cylindrical graphite–LMFP cell and establish a self-consistent parameter set for Doyle–Fuller–Newman (DFN) modeling. We determine cell geometry, composition, stoichiometry, and electrochemical properties using X-ray computed tomography, pseudo-open-circuit voltage measurements, the galvanostatic intermittent titration technique (GITT), and electrochemical impedance spectroscopy (EIS). The resulting DFN model is assessed through OCV reconstruction, reference performance tests, GITT pulse–rest experiments, multi-rate CCCV charging protocols, and full-cell EIS. The calibrated model reconstructs the full-cell OCV with 3–5 mV RMSE, reproduces the complete continuous 1C pulse–rest discharge sequence with an RMSE of 41.60 mV, and captures CCCV charging from C/5 to 1.5C with overlap voltage RMSEs of 32.52–38.80 mV. It also recovers the low-frequency impedance response using a single, consistently constrained parameter set. This work delivers a reproducible parameterization methodology and a practical DFN reference model for graphite–LMFP cells.