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Main Authors: Fuchs, Lukas, Furat, Orkun, Finegan, Donal P., Allen, Jeffery, Usseglio-Viretta, Francois L. E., Ozdogru, Bertan, Weddle, Peter J., Smith, Kandler, Schmidt, Volker
Format: Preprint
Published: 2024
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Online Access:https://arxiv.org/abs/2407.05333
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author Fuchs, Lukas
Furat, Orkun
Finegan, Donal P.
Allen, Jeffery
Usseglio-Viretta, Francois L. E.
Ozdogru, Bertan
Weddle, Peter J.
Smith, Kandler
Schmidt, Volker
author_facet Fuchs, Lukas
Furat, Orkun
Finegan, Donal P.
Allen, Jeffery
Usseglio-Viretta, Francois L. E.
Ozdogru, Bertan
Weddle, Peter J.
Smith, Kandler
Schmidt, Volker
contents Understanding structure-property relationships of Li-ion battery cathodes is crucial for optimizing rate-performance and cycle-life resilience. However, correlating the morphology of cathode particles, such as in NMC811, and their inner grain architecture with electrode performance is challenging, particularly, due to the significant length-scale difference between grain and particle sizes. Experimentally, it is currently not feasible to image such a high number of particles with full granular detail to achieve representivity. A second challenge is that sufficiently high-resolution 3D imaging techniques remain expensive and are sparsely available at research institutions. To address these challenges, a stereological generative adversarial network (GAN)-based model fitting approach is presented that can generate representative 3D information from 2D data, enabling characterization of materials in 3D using cost-effective 2D data. Once calibrated, this multi-scale model is able to rapidly generate virtual cathode particles that are statistically similar to experimental data, and thus is suitable for virtual characterization and materials testing through numerical simulations. A large dataset of simulated particles with inner grain architecture has been made publicly available.
format Preprint
id arxiv_https___arxiv_org_abs_2407_05333
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Generating multi-scale NMC particles with radial grain architectures using spatial stochastics and GANs
Fuchs, Lukas
Furat, Orkun
Finegan, Donal P.
Allen, Jeffery
Usseglio-Viretta, Francois L. E.
Ozdogru, Bertan
Weddle, Peter J.
Smith, Kandler
Schmidt, Volker
Applied Physics
Artificial Intelligence
Understanding structure-property relationships of Li-ion battery cathodes is crucial for optimizing rate-performance and cycle-life resilience. However, correlating the morphology of cathode particles, such as in NMC811, and their inner grain architecture with electrode performance is challenging, particularly, due to the significant length-scale difference between grain and particle sizes. Experimentally, it is currently not feasible to image such a high number of particles with full granular detail to achieve representivity. A second challenge is that sufficiently high-resolution 3D imaging techniques remain expensive and are sparsely available at research institutions. To address these challenges, a stereological generative adversarial network (GAN)-based model fitting approach is presented that can generate representative 3D information from 2D data, enabling characterization of materials in 3D using cost-effective 2D data. Once calibrated, this multi-scale model is able to rapidly generate virtual cathode particles that are statistically similar to experimental data, and thus is suitable for virtual characterization and materials testing through numerical simulations. A large dataset of simulated particles with inner grain architecture has been made publicly available.
title Generating multi-scale NMC particles with radial grain architectures using spatial stochastics and GANs
topic Applied Physics
Artificial Intelligence
url https://arxiv.org/abs/2407.05333