A finite strain model of stress, diffusion, plastic flow, and electrochemical reactions in a lithium-ion half-cell

By A. Bower, Pradeep R. Guduru, V. Sethuraman. 2011

386 citations recorded by the source corpus.

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.

Subfields: Automotive Engineering, Electrical and Electronic Engineering

View Paper: https://www.semanticscholar.org/paper/9d9d98de196ce3789c328d35b499336168dc0901

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Citations in the corpus

Diffusion–deformation theory for amorphous silicon anodes: The role of plastic deformation on electrochemical performance (2015, background): “Recently, Zhao et al. (2011), Bower et al. (2011), and Anand (2012) have proposed theories which couple large elastic-plastic deformations with large volumetric swelling due to diffusion of lithium.”
Measurement and modeling of the mechanical and electrochemical response of amorphous Si thin film electrodes during cyclic lithiation (2013, methodology): “[36] V.A. Sethuraman, M.J. Chon, M. Shimshak, V. Srinivasan and P.R. Guduru, "In Situ measurements of stress evolution in silicon thin films during electrochemical lithiation and delithiation," Journal of Power Sources, vol. 195, pp. 5062-5066, 2010.”
A continuum of physics-based lithium-ion battery models reviewed (2022, background): “Topics of stress affected diffusion [146], large deformation [12, 75], anisotropy [79] and microstructure [83] are important to capture, and more details can be found in the references provided.”
Heterogeneous Damage in Li-Ion Batteries: Experimental Analysis and Theoretical Modeling (2019, background): “…kinetics of electrochemical processes, such as mass transport, charge transfer, interfacial reactions, and phase transitions, thereby impacting the potential, capacity, and efficiency of batteries ( Bower et al., 2011; Natsiavas et al., 2016; Xu and Zhao, 2016a, b; Zhang, 2017; Zhao et al., 2019 ).”
A finite deformation stress-dependent chemical potential and its applications to lithium ion batteries (2012, methodology): “Following Bower et al. (2011), we adopt the following power-law form for the flow potential: Gðs ef f Þ ¼ s f _ d 0 m þ 1 s ef f s f À1 m þ 1 H s ef f s f À1 , ð54Þ where H(x) is the Heaviside step function, s f , _ d 0 and m are material constants, which may depend on the Li concentration.”
In Situ Measurements of Strains in Composite Battery Electrodes during Electrochemical Cycling (2014, background): “[6] formulated a complete set of field equations and constitutive equations governing the coupled mechanics and electrochemistry of the lithiation and delithiation of silicon.”