Parallel, physics-oriented, monolithic solvers for three-dimensional, coupled finite element models of lithium-ion cells

Fang, Rui; Kronbichler, Martin; Wurzer, Maximilian; Wall, Wolfgang A.

doi:10.1016/j.cma.2019.03.017

“…A solution to the accompanying computational challenges would be to simplify our SEI model to a 0D-version and implement it into a fully integrated electrochemo-mechanical FEM cell model. [80,106,107]…”

Section: Discussionmentioning

confidence: 99%

Cover Feature: Chemo‐Mechanical Model of SEI Growth on Silicon Electrode Particles (Batteries & Supercaps 2/2022)

Kolzenberg

¹

,

Latz

²

,

Horstmann

³

2022

Batteries & Supercaps

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Silicon anodes promise high energy densities of next-generation lithium-ion batteries, but suffer from shorter cycle life. The accelerated capacity fade stems from the repeated fracture and healing of the solid-electrolyte interphase (SEI) on the silicon surface. This interplay of chemical and mechanical effects in SEI on silicon electrodes causes a complex aging behavior. However, so far, no model mechanistically captures the interrelation between mechanical SEI deterioration and accelerated SEI growth. In this article, we present a thermodynamically consistent continuum model of an electrode particle surrounded by an SEI layer. The silicon particle model consistently couples chemical reactions, physical transport, and elastic deformation. The SEI model comprises elastic and plastic deformation, fracture, and growth. Capacity fade measurements on graphite anodes and in-situ mechanical SEI measurements on lithium thin films provide parametrization for our model. For the first time, we model the influence of cycling rate on the long-term mechanical SEI deterioration and regrowth. Our model predicts the experimentally observed transition in time dependence from square-root-of-time growth during battery storage to linear-in-time growth during continued cycling. Thereby our model unravels the mechanistic dependence of battery aging on operating conditions and supports the efforts to prolong the battery life of next-generation lithium-ion batteries.

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“…A solution to the accompanying computational challenges would be to simplify our SEI model to a 0D-version and implement it into a fully integrated electrochemo-mechanical FEM cell model. [80,106,107]…”

Section: Discussionmentioning

confidence: 99%

Chemo‐Mechanical Model of SEI Growth on Silicon Electrode Particles**

Kolzenberg

¹

,

Latz

²

,

Horstmann

³

2021

Batteries & Supercaps

View full text Add to dashboard Cite

Silicon anodes promise high energy densities of next-generation lithium-ion batteries, but suffer from shorter cycle life. The accelerated capacity fade stems from the repeated fracture and healing of the solid-electrolyte interphase (SEI) on the silicon surface. This interplay of chemical and mechanical effects in SEI on silicon electrodes causes a complex aging behavior. However, so far, no model mechanistically captures the interrelation between mechanical SEI deterioration and accelerated SEI growth. In this article, we present a thermodynamically consistent continuum model of an electrode particle surrounded by an SEI layer. The silicon particle model consistently couples chemical reactions, physical transport, and elastic deformation. The SEI model comprises elastic and plastic deformation, fracture, and growth. Capacity fade measurements on graphite anodes and in-situ mechanical SEI measurements on lithium thin films provide parametrization for our model. For the first time, we model the influence of cycling rate on the long-term mechanical SEI deterioration and regrowth. Our model predicts the experimentally observed transition in time dependence from square-root-of-time growth during battery storage to linear-in-time growth during continued cycling. Thereby our model unravels the mechanistic dependence of battery aging on operating conditions and supports the efforts to prolong the battery life of next-generation lithium-ion batteries.

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“…This easy yet real geometrical configuration is amenable of a one-dimensional modeling, which greatly simplifies the numerical simulations. The fully coupled problem has been solved numerically via the finite element method, using a monolithic scheme Grazioli et al (2016); Fang et al (2019). Major outcomes of the simulations have been discussed in section 4.3.…”

Section: Discussionmentioning

confidence: 99%

Electro-chemo-mechanics of solid state batteries with lithium plating and stripping

Cabras

¹

,

Serpelloni

²

,

Salvadori

³

2022

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This note is about a novel, thermodynamically consistent formulation for small strains continuum electro-chemo-mechanics applied to all solid state batteries, which are claimed to be the next-generation battery system in view of their safety accompanied by high energy densities. The response of a cell, made of a lithium metal foil, a solid electrolyte, and a porous LiCoO2 cathode, has been investigated in terms of quantities of interest such as the electric potential, the lithium concentrations profiles, displacements, and stresses. The plating and stripping of the lithium has been considered together with the volumetric evolution of the porous cathode. Together they contribute to the outbreak of mechanical stresses, which may influence the life cycle of a battery.

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Parallel, physics-oriented, monolithic solvers for three-dimensional, coupled finite element models of lithium-ion cells

Cited by 13 publications

References 49 publications

Cover Feature: Chemo‐Mechanical Model of SEI Growth on Silicon Electrode Particles (Batteries & Supercaps 2/2022)

Cover Feature: Chemo‐Mechanical Model of SEI Growth on Silicon Electrode Particles (Batteries & Supercaps 2/2022)

Chemo‐Mechanical Model of SEI Growth on Silicon Electrode Particles**

Electro-chemo-mechanics of solid state batteries with lithium plating and stripping

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