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Stress-Affected Lithiation Reactions in Elasto-Viscoplastic Si Particles with Hyperelastic Polymer Coatings: A Nonlinear Chemo-Mechanical Finite-Element Study

1
International Institute for Nanocomposites Manufacturing, WMG, University of Warwick, Coventry CV4 7AL, UK
2
Warwick Centre for Predictive Modelling, University of Warwick, Coventry CV4 7AL, UK
*
Author to whom correspondence should be addressed.
Coatings 2018, 8(12), 455; https://doi.org/10.3390/coatings8120455
Received: 13 November 2018 / Revised: 30 November 2018 / Accepted: 6 December 2018 / Published: 8 December 2018
(This article belongs to the Special Issue Modelling and Simulation of Coating 2019)
Stress-affected two-phase lithiation reactions in spherical elasto-viscoplastic Si particles for Li-ion batteries are studied here to determine the effects of a hyperelastic polymer coating on particle stresses, reaction front velocity, and degree of lithiation. The problem is modelled using finite-strain chemo-mechanical equations that couple stress, with Li-ion diffusion and reaction front velocity, and are solved using the finite-element (FE) approach, taking advantage of spherical symmetry of the problem. FE simulations and the sensitivity analysis reveal: (1) coating thickness is the most influential design parameter that affects the velocity of the reaction front, and (2) increasing values of the coating shear and bulk moduli, and the coating thickness reduce tensile circumferential stresses at the edge of the particle. The latter minimises the risk of particle cracking in the opening mode, but it can also accelerate the arrest of the reaction front, and thus reduce the particle lithiation degree in Li-ion battery anodes. View Full-Text
Keywords: lithium-ion battery; lithiation reaction; chemical reaction front; elasto-viscoplastic Si particle; hyperelastic polymer coating; chemo-mechanics; nonlinear FEM lithium-ion battery; lithiation reaction; chemical reaction front; elasto-viscoplastic Si particle; hyperelastic polymer coating; chemo-mechanics; nonlinear FEM
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Lippmann, P.; Poluektov, M.; Figiel, Ł. Stress-Affected Lithiation Reactions in Elasto-Viscoplastic Si Particles with Hyperelastic Polymer Coatings: A Nonlinear Chemo-Mechanical Finite-Element Study. Coatings 2018, 8, 455.

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