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

    Source: Journal of Electrochemical Energy Conversion and Storage:;2019:;volume( 016 ):;issue: 004::page 41006
    Author:
    Wu, Linmin
    ,
    De Andrade, Vincent
    ,
    Xiao, Xianghui
    ,
    Zhang, Jing
    DOI: 10.1115/1.4043155
    Publisher: American Society of Mechanical Engineers (ASME)
    Abstract: 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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      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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    http://yetl.yabesh.ir/yetl1/handle/yetl/4258937
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    contributor authorWu, Linmin
    contributor authorDe Andrade, Vincent
    contributor authorXiao, Xianghui
    contributor authorZhang, Jing
    date accessioned2019-09-18T09:06:27Z
    date available2019-09-18T09:06:27Z
    date copyright4/12/2019 12:00:00 AM
    date issued2019
    identifier issn2381-6872
    identifier otherjeecs_16_4_041006
    identifier urihttp://yetl.yabesh.ir/yetl1/handle/yetl/4258937
    description abstractIn 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.
    publisherAmerican Society of Mechanical Engineers (ASME)
    titlePhase Field Modeling of Coupled Phase Separation and Diffusion-Induced Stress in Lithium Iron Phosphate Particles Reconstructed From Synchrotron Nano X-ray Tomography
    typeJournal Paper
    journal volume16
    journal issue4
    journal titleJournal of Electrochemical Energy Conversion and Storage
    identifier doi10.1115/1.4043155
    journal fristpage41006
    journal lastpage041006-7
    treeJournal of Electrochemical Energy Conversion and Storage:;2019:;volume( 016 ):;issue: 004
    contenttypeFulltext
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