Abstract
Here, we present a finite element method-based scheme for solving coupled par- tial differential equations (PDEs) for the analysis of lithiation-induced stress in largely deformed spherical nanoparticles via the PDE module in COMSOL. We describe steps for software installation and setting PDEs, initial/boundary condi- tions, and mesh parameters. We then detail procedures for dividing the mesh and analyzing lithium trapping during electrochemical cycling. This protocol can also be extended to analyze a wide range of problems involving diffusion-induced stress. For complete details on the use and execution of this protocol, please refer to Li et al.
Document Type
Article
Publication Date
3-2024
Digital Object Identifier (DOI)
https://doi.org/10.1016/j.xpro.2024.102907
Funding Information
K.Z. is grateful for the support from the National Natural Science Foundation of China under grant no. 12372173 and the Natural Science Foundation of Shanghai under grant no. 23ZR1468600. The authors sincerely appreciate the computing resources generously provided by the National Super- computer Center in Guangzhou.
Repository Citation
Li, Yong; Guo, Yungpeng; Wu, Yunhao; Rao, Yin; Zhang, Kai; Liu, Dashun; and Yang, Fuqian, "Protocol for modeling and simulating lithiation-induced stress in largely deformed spherical nanoparticles using COMSOL" (2024). Chemical and Materials Engineering Faculty Publications. 93.
https://uknowledge.uky.edu/cme_facpub/93
Notes/Citation Information
© 2024 The Author(s). This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).