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Numerical Analysis of Degradation and Capacity Loss in Graphite Active Particles of Li-Ion Battery Anodes
It is well known that the performance and durability of lithium-ion batteries (LIBs) can be severely impaired by fracture events that originate in stresses due to Li ion diffusion in fast charge–discharge cycles. Existing models of battery damage overlook either the role of particle shape in stress...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9182454/ https://www.ncbi.nlm.nih.gov/pubmed/35683275 http://dx.doi.org/10.3390/ma15113979 |
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author | Marin-Montin, Jorge Zurita-Gotor, Mauricio Montero-Chacón, Francisco |
author_facet | Marin-Montin, Jorge Zurita-Gotor, Mauricio Montero-Chacón, Francisco |
author_sort | Marin-Montin, Jorge |
collection | PubMed |
description | It is well known that the performance and durability of lithium-ion batteries (LIBs) can be severely impaired by fracture events that originate in stresses due to Li ion diffusion in fast charge–discharge cycles. Existing models of battery damage overlook either the role of particle shape in stress concentration, the effect of material disorder and preexisting defects in crack initiation and propagation, or both. In this work we present a novel, three-dimensional, and coupled diffusive-mechanical numerical model that simultaneously accounts for all these phenomena by means of (i) a random particle generator and (ii) a stochastic description of material properties implemented within the lattice method framework. Our model displays the same complex fracture patterns that are found experimentally, including crack nucleation, growth, and branching. Interestingly, we show that irregularly shaped active particles can suffer mechanical damage up to 60% higher than that of otherwise equivalent spherical particles, while material defects can lead to damage increments of up to 110%. An evaluation of fracture effects in local Li-ion diffusivity shows that effective diffusion can be reduced up to 25% at the particle core due to lithiation, while it remains at ca. 5% below the undamaged value at the particle surface during delithiation. Using a simple estimate of capacity loss, we also show that the C-rate has a nonlinear effect on battery degradation, and the estimated capacity loss can surpass 10% at a 2C charging rate. |
format | Online Article Text |
id | pubmed-9182454 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-91824542022-06-10 Numerical Analysis of Degradation and Capacity Loss in Graphite Active Particles of Li-Ion Battery Anodes Marin-Montin, Jorge Zurita-Gotor, Mauricio Montero-Chacón, Francisco Materials (Basel) Article It is well known that the performance and durability of lithium-ion batteries (LIBs) can be severely impaired by fracture events that originate in stresses due to Li ion diffusion in fast charge–discharge cycles. Existing models of battery damage overlook either the role of particle shape in stress concentration, the effect of material disorder and preexisting defects in crack initiation and propagation, or both. In this work we present a novel, three-dimensional, and coupled diffusive-mechanical numerical model that simultaneously accounts for all these phenomena by means of (i) a random particle generator and (ii) a stochastic description of material properties implemented within the lattice method framework. Our model displays the same complex fracture patterns that are found experimentally, including crack nucleation, growth, and branching. Interestingly, we show that irregularly shaped active particles can suffer mechanical damage up to 60% higher than that of otherwise equivalent spherical particles, while material defects can lead to damage increments of up to 110%. An evaluation of fracture effects in local Li-ion diffusivity shows that effective diffusion can be reduced up to 25% at the particle core due to lithiation, while it remains at ca. 5% below the undamaged value at the particle surface during delithiation. Using a simple estimate of capacity loss, we also show that the C-rate has a nonlinear effect on battery degradation, and the estimated capacity loss can surpass 10% at a 2C charging rate. MDPI 2022-06-02 /pmc/articles/PMC9182454/ /pubmed/35683275 http://dx.doi.org/10.3390/ma15113979 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Marin-Montin, Jorge Zurita-Gotor, Mauricio Montero-Chacón, Francisco Numerical Analysis of Degradation and Capacity Loss in Graphite Active Particles of Li-Ion Battery Anodes |
title | Numerical Analysis of Degradation and Capacity Loss in Graphite Active Particles of Li-Ion Battery Anodes |
title_full | Numerical Analysis of Degradation and Capacity Loss in Graphite Active Particles of Li-Ion Battery Anodes |
title_fullStr | Numerical Analysis of Degradation and Capacity Loss in Graphite Active Particles of Li-Ion Battery Anodes |
title_full_unstemmed | Numerical Analysis of Degradation and Capacity Loss in Graphite Active Particles of Li-Ion Battery Anodes |
title_short | Numerical Analysis of Degradation and Capacity Loss in Graphite Active Particles of Li-Ion Battery Anodes |
title_sort | numerical analysis of degradation and capacity loss in graphite active particles of li-ion battery anodes |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9182454/ https://www.ncbi.nlm.nih.gov/pubmed/35683275 http://dx.doi.org/10.3390/ma15113979 |
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