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Stochastic 3D reconstruction of cracked polycrystalline NMC particles using 2D SEM data
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作者 Philipp Rieder Orkun Furat +5 位作者 Francois L.E.Usseglio-Viretta Jeffery Allen Peter J.Weddle Donal P.Finegan Kandler Smith Volker Schmidt 《npj Computational Materials》 2025年第1期2482-2497,共16页
Li-ion battery performance is strongly influenced by the 3D microstructure of its cathode particles.Cracks within these particles develop during calendaring and cycling,reducing connectivity but increasing reactive su... Li-ion battery performance is strongly influenced by the 3D microstructure of its cathode particles.Cracks within these particles develop during calendaring and cycling,reducing connectivity but increasing reactive surface,making their impact on battery performance complex.Understanding these contradictory effects requires a quantitative link between particle morphology and battery performance.However,informative 3D imaging techniques are time-consuming,costly and rarely available,such that analyses often have to rely on 2D image data.This paper presents a novel stereological approach for generating virtual 3D cathode particles exhibiting crack networks that are statistically equivalent to those observed in 2D sections of experimentally measured particles.Consequently,2D image data suffices for deriving a full 3D characterization of cracked cathodes particles.Such virtually generated 3D particles could serve as geometry input for spatially resolved electro-chemo-mechanical simulations to enhance our understanding of structure-property relationships of cathodes in Li-ion batteries. 展开更多
关键词 reactive surfacemaking quantitative link Li ion battery performance d imaging techniques stereological approach virtual D reconstruction cracked polycrystalline NMC particles cathode particlescracks
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