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Updated: Apr 23, 2026

In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries
Published on: November 10, 2014
Mesoscopic modeling of Li insertion in phase-separating electrode materials: application to lithium iron phosphate
Mohammad Farkhondeh1, Mark Pritzker, Michael Fowler
1Department of Chemical Engineering, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada. pritzker@uwaterloo.ca.
Abstract:
A simple mesoscopic model is presented which accounts for the inhomogeneity of physical properties and bi-stable nature of phase-change insertion materials used in battery electrodes. The model does not include any geometric detail of the active material and discretizes the total active material domain into meso-scale units featuring basic thermodynamic (non-monotonic equilibrium potential as a function of Li content) and kinetic (insertion-de-insertion resistance) properties. With only these two factors incorporated, the model is able to simultaneously capture unique phenomena including the memory effect observed in lithium iron phosphate electrodes. The analysis offers a new physical insight into modeling of phase-change active materials which are of special interest for use in high power Li-ion batteries.
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