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Three-Dimensional Discrete Element Simulation of Electrode Structural Evolutions in Lithium-Ion Batteries During Drying and Calendering

Yuhang Lyu¹, Shaohai Dong¹, Li Ting Gao¹, Zhan-Sheng Guo^1,*

1 Shanghai Institute of Applied Mathematics and Mechanics, School of Mechanics and Engineering Science, Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai University, Shanghai, 200072, China

* Corresponding Author: Zhan-Sheng Guo. Email:

The International Conference on Computational & Experimental Engineering and Sciences 2024, 30(3), 1-1. https://doi.org/10.32604/icces.2024.012815

Abstract

Drying and calendering processes are crucial in electrode manufacturing, as they significantly affect the mechanical and electrochemical performances of lithium-ion batteries. In this study, we established a three-dimensional (3D) representative volume element (RVE) of electrodes composed of active material particles, carbon binder domain particles, solvent, and different particle contact types. We continuously simulated the 3D macroscopic and microscopic structural evolutions of the RVE during drying and calendering using the discrete element method (DEM). Based on the evolution of the particle coordination numbers and contact networks during drying, we propose a three-stage-drying scheme, consistent with the relevant experimental results. Analyses of the evolution of porosity, particle coordination number, and contact network of the RVE show that the mechanical integrity and electronic conductivity of the electrodes can be significantly improved by calendering. The stress acting on the electrode particles is in a 3D compression state during calendering, and the maximum stress appears along the thickness dimension of the electrodes. Thus, this study demonstrated the significant potential of DEM in the study of electrode heterogeneity during drying and calendering processes.

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Keywords

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