Protocol for modeling and simulating lithiation-induced stress in largely deformed spherical nanoparticles using COMSOL.

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Materials Program, Department of Chemical and Materials Engineering, University of Kentucky, Lexington, KY 40506, USA. Electronic address:

Published: March 2024


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Article Abstract

Here, we present a finite element method-based scheme for solving coupled partial 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 conditions, 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..

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10907210PMC
http://dx.doi.org/10.1016/j.xpro.2024.102907DOI Listing

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