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.

arXiv comment46 pages, 5 figures

References in corpus (7)

• CODATA Recommended Values of the Fundamental Physical Constants: 2010
• 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 (19)

• Real-time Measurement of Stress and Damage Evolution During Initial Lithiation of Crystalline Silicon
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• Measurement and modeling of the mechanical and electrochemical response of amorphous Si thin film electrodes during cyclic lithiation
• Analysis of Lithiation and Delithiation Kinetics in Silicon
• Intercalation kinetics in multiphase layered materials
• On plastic deformation and fracture in Si films during electrochemical lithiation/delithiation cycling
• Combining mechanical and chemical effects in the deformation and failure of a cylindrical electrode particle in a Li-ion battery
• Stress Evolution in Composite Silicon Electrodes during Lithiation/Delithiation
• Real-time Stress Measurements in Germanium Thin Film Electrodes during Electrochemical Lithiation/delithiation Cycling
• 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
• Faster Lead-Acid Battery Simulations from Porous-Electrode Theory: I. Physical Model
• Influence of constraints on axial growth reduction of cylindrical Li-ion battery electrode particles
• Influence of elastic strain on the thermodynamics and kinetics of lithium vacancy in bulk LiCoO2
• Vulnerable Window of Yield Strength for Swelling-Driven Fracture of Phase-Transforming Battery Materials
• High-order adaptive multi-domain time integration scheme for microscale lithium-ion batteries simulations
• The effect of mechanical stress on lithium distribution and geometry optimisation for multi-material lithium-ion anodes
• Rethinking battery degradation in presence of surface effects: mechanical versus electrochemical peformance mediated by charging condition