Browsing by Subject "synchrotron X-ray tomography"

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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
    (ASME, 2019-11) Wu, Linmin; Xiao, Xianghui; Zhang, Jing; Mechanical Engineering and Energy, School of Engineering and Technology
    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
    (Elsevier, 2016-12) Wu, Linmin; Xiao, Xianghui; Wen, Youhai; Zhang, Jing; Department of Mechanical Engineering, School of Engineering and Technology
    In this study, the stress generation caused by phase transitions and lithium intercalation of nickel-manganese-cobalt (NMC) based half cell with realistic 3D microstructures has been studied using finite element method. The electrochemical properties and discharged curves under various C rates are studied. The potential drops significantly with the increase of C rates. During the discharge process, for particles isolated from the conductive channels, several particles with no lithium ion intercalation are observed. For particles in the electrochemical network, the lithium ion concentration increases during the discharge process. The stress generation inside NMC particles is calculated coupled with lithium diffusion and phase transitions. The results show the stresses near the concave and convex regions are the highest. The neck regions of the connected particles can break and form several isolated particles. If the isolated particles are not connected with the electrically conductive materials such as carbon and binder, the capacity loses in battery. For isolated particles in the conductive channel, cracks are more likely to form on the surface. Moreover, stresses inside the particles increase dramatically when considering phase transitions. The phase transitions introduce an abrupt volume change and generate the strain mismatch, causing the stresses increase.