A Finite Strain Model of Stress, Diffusion, Plastic Flow and Electrochemical Reactions in a Lithium-ion Half-cell

Abstract

We formulate the continuum field equations and constitutive equations that govern deformation, stress, and electric current flow in a Li-ion half-cell. The model considers mass transport through the system, deformation and stress in the anode and cathode, electrostatic fields, as well as the electrochemical reactions at the electrode/electrolyte interfaces. It extends existing analyses by accounting for the effects of finite strains and plastic flow in the electrodes, and by exploring in detail the role of stress in the electrochemical reactions at the electrode-electrolyte interfaces. In particular, we find that that stress directly influences the rest potential at the interface, so that a term involving stress must be added to the Nernst equation if the stress in the solid is significant. The model is used to predict the variation of stress and electric potential in a model 1-D half-cell, consisting of a thin film of Si on a rigid substrate, a fluid electrolyte layer, and a solid Li cathode. The predicted cycles of stress and potential are shown to be in good agreement with experimental observations.

46 pages, 5 figures

References in corpus (6)

• In Situ Measurements of Stress Evolution in Silicon Thin Films During Electrochemical Lithiation and Delithiation
• In Situ Measurements of Stress-Potential Coupling in Lithiated Silicon
• Surface Structural Disordering in Graphite upon Lithium Intercalation/Deintercalation
• In situ Measurement of Biaxial Modulus of Si Anode for Li-ion Batteries
• Phase field modeling of electrochemistry I: Equilibrium
• Phase field modeling of electrochemistry II: Kinetics

Cited by in corpus (6)

• Real-time Measurement of Stress and Damage Evolution During Initial Lithiation of Crystalline Silicon
• Voltage Hysteresis of Silicon Nanoparticles: Chemo-Mechanical Particle-SEI Model
• A continuum electro-chemo-mechanical gradient theory coupled with damage: Application to Li-metal filament growth in all-solid-state batteries
• Stochastic model for the 3D microstructure of pristine and cyclically aged cathodes in Li-ion batteries
• High-order adaptive multi-domain time integration scheme for microscale lithium-ion batteries simulations
• Rethinking battery degradation in presence of surface effects: mechanical versus electrochemical peformance mediated by charging condition