Fracture predictions based on a coupled chemo-mechanical model with strain gradient plasticity theory for film electrodes of Li-ion batteries

Schematic of a film electrode on a rigid substrate subject to Li+ insertion [Display omitted] •A model coupling the electrochemical reaction with strain gradient plasticity is developed.•The evolution and distributions of electrochemical-reaction dislocations are analyzed.•High-density dislocations...

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Bibliographic Details
Published in:Engineering fracture mechanics 2021-08, Vol.253, p.107866, Article 107866
Main Authors: Chen, Yaoxing, Sang, Mengsha, Jiang, Wenjuan, Wang, Yan, Zou, Youlan, Lu, Chunsheng, Ma, Zengsheng
Format: Article
Language:English
Subjects:
Concentration gradient
Deformation
Diffusion effects
Diffusion-induced stress
Dislocation density
Elastoplasticity
Electrode materials
Finite element model
Interfacial damage
Li-ion battery
Lithium-ion batteries
Plastic properties
Rechargeable batteries
Size effects
Strain
Strain gradient plasticity
Substrates
Thickness
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Summary:Schematic of a film electrode on a rigid substrate subject to Li+ insertion [Display omitted] •A model coupling the electrochemical reaction with strain gradient plasticity is developed.•The evolution and distributions of electrochemical-reaction dislocations are analyzed.•High-density dislocations can induce high stresses at the lithiation front.•This model could predict the damage and fracture of the electrode interface. High-capacity electrodes in Li-ion batteries inevitably undergo a large volume deformation originating from high diffusion-induced stresses during charging and discharging processes. In this paper, we firstly develop a new elastoplastic model for describing diffusion-induced deformation in the framework of high-density dislocation defects generated due to the migration of Li atoms. Then, we analyze the film size effect, diffusion-induced stress, plastic yielding, and hardening of electrode materials based on the evolutions of Li concentration by a strategy combining the strain gradient plasticity theory and finite element simulations. Finally, according to the traction-separation law, interface damage and debonding are characterized in the active film materials (with a thickness of 150, 200, and 250 nm, respectively) on a rigid substrate.
ISSN:0013-7944
1873-7315
DOI:10.1016/j.engfracmech.2021.107866