Protocol for modeling and simulating lithiation-induced stress in largely deformed spherical nanoparticles using COMSOL
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Updated: Apr 13, 2026

Scalable Nanohelices for Predictive Studies and Enhanced 3D Visualization
Published on: November 12, 2014
Yong Li1, Yunpeng Guo1, Yunhao Wu1
1School of Intelligent Manufacturing and Control Engineering, Shanghai Polytechnic University, Shanghai 201209, China.
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.1.
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