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Volume 105
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Hu, Y., Cheng, F., & Rahman, M. u. (2025). A particulate phase-field model for chemical-electrochemical dynamics of Li-ion intercalation in LiFePO4. Particuology, 105, 325-339. https://doi.org/10.1016/j.partic.2025.08.011
A particulate phase-field model for chemical-electrochemical dynamics of Li-ion intercalation in LiFePO4
Ye Hu a, Fang Cheng b *, Mati ur Rahman c
a Department of Mathematics and Artificial Intelligence, Lyuliang University, Lishi, 033000, Shanxi, China
b School of Statistics and Applied Mathematics, Anhui University of Finance & Economics, Bengbu, 233030, China
c Department of Mathematics and Statistics, College of Science, Imam Mohammad Ibn Saud Islamic University, Riyadh, Saudi Arabia
10.1016/j.partic.2025.08.011
Volume 105, October 2025, Pages 325-339
Received 10 July 2025, Revised 12 August 2025, Accepted 15 August 2025, Available online 25 August 2025, Version of Record 3 September 2025.
E-mail: huye1015@163.com; fcheng@aufe.edu.cn; mrmahman@imamu.edu.sa
Highlights

• New kinetic phase-field model couples chemo-electro dynamics in LiFePO4 while preserving olivine structure.

• Two coupled nonlinear parabolic equations strictly obey the second law of thermodynamics.

• Global solution existence proven for the initial-boundary value problem.

• Simulations match Li concentration and interface motion reported by Laffont et al.


Abstract

We investigated a phase-field model incorporating chemical-electrochemical coupling in Li-ion battery materials, particularly LiFePO4, without altering its olivine topology. This study emphasizes the anomalous diffusion dynamics of lithium ions within the crystal structure during electrochemical cycling. The model, featuring a diffusing interface, comprises two coupled nonlinear second-order parabolic equations. We validated that this model adheres to the principle of entropy increase and demonstrated that global solutions exist for the initial-boundary value problem. Simulation outcomes demonstrate consistency between lithium concentration evolution and interface motion with experimental results reported by research of Laffont.

Graphical abstract
Keywords
Li-ion battery; Chemical-electrochemical; Phase field simulation; Galerkin weak solution method; Existence
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