Three-dimensional finite element study on stress generation in synchrotron X-ray tomography reconstructed nickel-manganese-cobalt based half cell

Wu, Linmin; Xiao, Xianghui; Wen, Youhai; Zhang, Jing

doi:10.1016/j.jpowsour.2016.10.052

Cited by 57 publications

(61 citation statements)

References 31 publications

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“…Wu et al [16] investigated the diffusion induced stress in LiMn2O4/C whole cell using realistic microstructure, but their model is in 2D. We recently simulated the diffusion induced stress in synchrotron X-ray tomography reconstructed NickelManganese-Cobalt (NMC) based half cell [17]. Hence, a 3D realistic microstructure based diffusion induced stress model under the complex electrochemistry framework is warranted.…”

Section: Introductionmentioning

confidence: 99%

Three-Dimensional Finite Element Study on Li Diffusion Induced Stress in FIB-SEM Reconstructed LiCoO2 Half Cell

Wen

2016

Electrochimica Acta

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In this study, the diffusion induced stress of LiCoO2 half cell with a realistic 3D microstructure has been studied using finite element method. The electrochemical properties under various C rates were studied. The discharged curves under various C rates were simulated. Results show that the potential drops significantly with the increase of C rates. The lithium ion concentration distribution under high discharging rates shows strong inhomogeneity. At high C rates, the small LiCoO2 particles near the separator have higher lithium ion concentration because of the shorter lithium migration and diffusion paths. The diffusion induced stress inside LiCoO2 particles was calculated coupled with lithium diffusion. The results show that the stress near the concave and convex regions is the highest. The neck regions of the connected particles will break first and form several isolated particles. For isolated particles, cracks are more likely to form on the surface rather than inside the particle. Failure may occur in large grains ahead of small grains.

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Section: Introductionmentioning

confidence: 99%

Three-Dimensional Finite Element Study on Li Diffusion Induced Stress in FIB-SEM Reconstructed LiCoO2 Half Cell

Wen

2016

Electrochimica Acta

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“…This is the case when complex geometries characterize the model, which cannot be discretized with a structured mesh. This undesired situation is becoming more frequent since it is increasingly common to create meshes directly from complex CAD solid geometries [14,15] or from an X-Ray tomography [16,17,18,19]. Moreover, newly developed technologies, e.g., additive manufacturing, allow to create elaborated solids, with consequent demanding numerical simulations [20,21,22].…”

Section: Introductionmentioning

confidence: 99%

A robust adaptive algebraic multigrid linear solver for structural mechanics

Franceschini

Magri

Mazzucco

et al. 2019

Computer Methods in Applied Mechanics and Engineering

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The numerical simulation of structural mechanics applications via finite elements usually requires the solution of large-size and ill-conditioned linear systems, especially when accurate results are sought for derived variables interpolated with lower order functions, like stress or deformation fields. Such task represents the most time-consuming kernel in commercial simulators; thus, it is of significant interest the development of robust and efficient linear solvers for such applications. In this context, direct solvers, which are based on LU factorization techniques, are often used due to their robustness and easy setup; however, they can reach only superlinear complexity, in the best case, thus, have limited applicability depending on the problem size. On the other hand, iterative solvers based on algebraic multigrid (AMG) preconditioners can reach up to linear complexity for sufficiently regular problems but do not always converge and require more knowledge from the user for an efficient setup. In this work, we present an adaptive AMG method specifically designed to improve its usability and efficiency in the solution of structural problems. We show numerical results for several practical applications with millions of unknowns and compare our method with two state-of-the-art linear solvers proving its efficiency and robustness.

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“…One of the challenges of LiFePO4 is to understand its two-phase structure and enhance the mechanical stability. Diffusion induced stresses [16][17][18] done by our group, and phase separation [19][20][21] during the operations of batteries have shown to cause fracture and mechanical failure in electrodes and cells. Hence, it is important to understand the coupled phase change and diffusion induced stress generation in LiFePO4.…”

Section: Introductionmentioning

confidence: 99%

Phase Field Modeling of Coupled Phase Separation and Diffusion-Induced Stress in Lithium Iron Phosphate Particles Reconstructed From Synchrotron Nano X-ray Tomography

Andrade

Xiao

et al. 2019

Journal of Electrochemical Energy Conversion and Storage

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In this study, the phase separation phenomenon and diffusion-induced stresses in lithium iron phosphate (LiFePO4) particles under a potentiostatic discharging process have been simulated using the phase field method. The realistic particles reconstructed from synchrotron nano X-ray tomography along with idealized spherical and ellipsoid shaped particles were studied. The results show that stress and diffusion process in particles are strongly influenced by particle shapes, especially at the initial lithiation stage. Stresses in the realistic particles are higher than that in the idealized spherical ones by at least 30%. The diffusion-induced hydrostatic stress has a strong relationship with lithium ion concentration. The hydrostatic stresses and first principal stresses tend to shift from lower values to higher values as the particle takes in more lithium ions. Additionally, the diffusion-induced stresses are related to the maximum concentration difference in the particle. High concentration difference will cause high stresses. In ellipsoid particles, the stress levels increase with the aspect ratios. The model provides a design tool to optimize the performance of cathode materials with phase separation phenomena.

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Three-dimensional finite element study on stress generation in synchrotron X-ray tomography reconstructed nickel-manganese-cobalt based half cell

Cited by 57 publications

References 31 publications

Three-Dimensional Finite Element Study on Li Diffusion Induced Stress in FIB-SEM Reconstructed LiCoO2 Half Cell

Three-Dimensional Finite Element Study on Li Diffusion Induced Stress in FIB-SEM Reconstructed LiCoO2 Half Cell

A robust adaptive algebraic multigrid linear solver for structural mechanics

Phase Field Modeling of Coupled Phase Separation and Diffusion-Induced Stress in Lithium Iron Phosphate Particles Reconstructed From Synchrotron Nano X-ray Tomography

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