Advancements in Multiscale Multiphysics Chemomechanical Modeling of Lithium-Ion Batteries

Dear Colleagues,

Lithium-ion batteries are regarded as one of the most suitable energy storage devices because of their high energy density and long cyclability. However, the capacity of Li-ion batteries severely decreases as the number of charge–discharge cycles increases because of the formation of a solid electrolyte interface (SEI) layer on the particle surface, fracture and debonding of particles from conductive matrix, and accompanied dissolution of active material into the electrolyte. Current research is devoted to increasing the discharge capacity and reducing the charging time of Li-ion batteries. The increase in the charge–discharge rates creates mechanical instability of the electrodes and degradation at the cell level.

The lithium concentration gradient contributes to diffusion-induced stress (DIS) inside the particles during charging and discharging. These stresses cause the rupture of particles and delamination of conductive binder and SEI layer. Measuring the stress down to the particle level requires sophisticated equipment. Alternatively, chemomechancial models have been developed to study the stress and corresponding degradation. The multiscale nature of the battery requires an understanding of the coupling mechanism between the electrode behavior at microscale and the overall cell behavior at macroscale. Pseudo-two-dimensional models fully coupled with 2D/3D core–shell models and cohesive zone models aim to understand the chemomechancial behavior of the cells. In addition, the effect of stress on cell voltage and capacity fade needs to be thoroughly discussed.

The current Special Issue focuses on new developments and improvements in multiscale multiphysics chemomechanical models to understand the possible mechanical failure mechanisms and mitigate the capacity fade. The models will serve as a guide for the development of robust electrodes for Li-ion batteries.

The key topics covered by this Special Issue include but are not limited to the following:

• Lithium-ion battery;
• Diffusion-induced stress;
• Heterogeneous SEI layer;
• Chemomechanical 2D/3D multiparticle modeling;
• Multiscale modeling;
• Stress–potential coupling;
• Core–shell;
• Particle–binder debonding;
• Abaqus;
• Mechanical failure analysis of lithium-ion batteries;
• Capacity fading;
• Finite element analysis;
• COMSOL Multiphysics;

Dr. Yasir Ali
Dr. Noman Iqbal
Prof. Dr. Seung Jun Lee
Guest Editors

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