Three-Dimensional Microstructure-Based Deformation Predictions in Battery Electrodes

Abstract

To give insight on the deformation behavior of the porous electrodes for a lithium-ion battery induced by mechanical stresses, a three-dimensional microstructure-based modeling method (3DMS) is developed [1,2]. The 3DMS simulation applies a Finite Element Analysis (FEA) based solid-stress model to track the composite (active material (AM) and binder) porous electrodes response to compression (external forces), reversible expansion (intercalation dependent), and irreversible expansion (aging dependent).The microstructures used for the electrodes were generated using a modified version of the opensource program MATBOX, developed by NREL, in conjunction with in-house code to create a cutout section of a representative lithium-ion cell. Both anode and cathode structures are stochastically generated and applied with an advanced volume element generation technique to resolve small interface and boundary domains created by binder generation. The applied solid-stress model couples different stresses from local mechanical behavior for the different materials present in the system, considering the individual materials respective mechanical properties. The coupled stresses are used to predict deformation in the microstructure domain. Further analysis on the behavior of the deformation is enacted to gain insights on the design of the porous electrodes.Predictions of the electrodes’ deformation will be validated using experimental work at various length scales and compared to continuum porous electrode models from previous works. Furthermore, development of techniques using the FEA solid stress-model platform will be implemented to predict full cell-level deformation for various macro cell designs including jell-roll, pouch cells, and full module assemblies [3-8]. Ultimately, insights gained from the simulations will be used to understand irreversible deformation in electrodes after cycling and inform microstructure design- particularly for automotive-relevant applications [9]. J. S. Lopata, T. R. Garrick, F. Wang, H. Zhang, Y. Zeng and S. Shimpalee, ECSarXiv (2022).J. S. Lopata, T. R. Garrick, F. Wang, H. Zhang, Y. Zeng and S. Shimpalee, J Electrochem Soc, 170, 020530 (2023).D. J. Pereira, J. W. Weidner and T. R. Garrick, J Electrochem Soc, 166, A1251 (2019).D. J. Pereira, M. A. Fernandez, K. C. Streng, X. X. Hou, X. Gao, J. W. Weidner and T. R. Garrick, J Electrochem Soc, 167, 080515 (2020).D. J. Pereira, A. M. Aleman, J. W. Weidner and T. R. Garrick, J Electrochem Soc, 169, 020577 (2022).T. R. Garrick, K. Kanneganti, X. Y. Huang and J. W. Weidner, J Electrochem Soc, 161, E3297 (2014).T. R. Garrick, K. Higa, S.-L. Wu, Y. Dai, X. Huang, V. Srinivasan and J. W. Weidner, J Electrochem Soc, 164, E3592 (2017).T. R. Garrick, X. Huang, V. Srinivasan and J. W. Weidner, J Electrochem Soc, 164, E3552 (2017).T. R. Garrick and J. W. Weidner, in Electrochemical Society Meeting s 233, p. 1345 (2018).