Quantifying the Influence of Charge Rate and Cathode-Particle Architectures on Degradation of Li-Ion Cells Through 3D Continuum-Level Damage Models

Allen, Jeffery M.; Weddle, Peter J.; Verma, Ankit; Mallarapu, Anudeep; Usseglio-Viretta, Francois; Finegan, Donal P.; Colclasure, Andrew M.; Mai, Weijie; Schmidt, Volker; Furat, Orkun; Diercks, David; Tanim, Tanvir; Smith, Kandler

doi:10.1016/j.jpowsour.2021.230415

Title: Quantifying the Influence of Charge Rate and Cathode-Particle Architectures on Degradation of Li-Ion Cells Through 3D Continuum-Level Damage Models

Journal Article · 06 September 2021 · Journal of Power Sources

DOI: https://doi.org/10.1016/j.jpowsour.2021.230415 · OSTI ID:1821627

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^[1]; Mallarapu, Anudeep ^[1];

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^[1]; Schmidt, Volker ^[2];

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National Renewable Energy Lab. (NREL), Golden, CO (United States)
Ulm Univ. (Germany)
Colorado School of Mines, Golden, CO (United States)
Idaho National Lab. (INL), Idaho Falls, ID (United States)

In this article, we develop a 3D, continuum-level damage model implemented on statistically generated LiNi_0.5Mn_0.3Co_0.2O (NMC 532) secondary cathode particles. The primary motivation of the particle-level model is to inform cathode-particle design through detailed exploration of the influence of secondary and primary particle sizes on the damage predicted during operation, and determine charging profiles that reduce cathode fracture. The model considers NMC 532 secondary particles containing an agglomeration of anisotropic, randomly oriented grains. These brittle, Ni-based cathodes are prone to mechanical degradation, which reduces overall battery cycle life. The model predicts that secondary-particle fracture is primarily due to non-ideal grain interactions and high-rate charge demands. The model predicts that small secondary-particles with large grains develop significantly less damage than larger secondary particles with small grains. The model predicts most of the chemo-mechanical damage accumulates in the first few cycles. The chemo-mechanical model predicts monotonically increasing capacity fade with cycling and rate. Comparing to experimental results, the model is well suited for capturing initial capacity fade mechanisms, but additional physics is required to capture long-term capacity fade effects.

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Research Organization:: Idaho National Laboratory (INL), Idaho Falls, ID (United States); National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office

Grant/Contract Number:: AC07-05ID14517; AC36-08GO28308

OSTI ID:: 1821627

Report Number(s):: INL/JOU-21-64322-Rev000; NREL/JA-2C00-79722; MainId:36942; UUID:a9492490-dc7f-481c-9046-1e9b6b4cd356; MainAdminID:61775

Journal Information:: Journal of Power Sources, Journal Name: Journal of Power Sources Vol. 512; ISSN 0378-7753

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Quantifying the Influence of Charge Rate and Cathode-Particle Architectures on Degradation of Li-Ion Cells Through 3D Continuum-Level Damage Models

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