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Simulation-driven Selection of Electrode Materials Based on Mechanical Performance for Lithium-Ion Battery

Experimental and numerical studies have shown that mechanical loading associated with lithiation/delithiation may limit the useful life of battery electrode materials. The paper presents an approach to parameterize and compare electrode material performance based on mechanical stability. A mathemati...

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Detalles Bibliográficos
Autores principales: Sarkar, Abhishek, Shrotriya, Pranav, Chandra, Abhijit
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6427785/
https://www.ncbi.nlm.nih.gov/pubmed/30870987
http://dx.doi.org/10.3390/ma12050831
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author Sarkar, Abhishek
Shrotriya, Pranav
Chandra, Abhijit
author_facet Sarkar, Abhishek
Shrotriya, Pranav
Chandra, Abhijit
author_sort Sarkar, Abhishek
collection PubMed
description Experimental and numerical studies have shown that mechanical loading associated with lithiation/delithiation may limit the useful life of battery electrode materials. The paper presents an approach to parameterize and compare electrode material performance based on mechanical stability. A mathematical model was developed to determine particle deformation and stress fields based upon an elastic-perfectly plastic constitutive response. Mechanical deformation was computed by combining the stress equilibrium equations with the electrochemical diffusion of lithium ions into the electrode particle. The result provided a time developing stress field which shifts from purely elastic to partially plastic deformation as the lithium-ion diffuses into the particle. The model was used to derive five merit indices that parameterize mechanical stability of electrode materials. The merit indices were used to analyze the mechanical stability for the six candidate electrode materials—three for anode materials and three for the cathode material. Finally, the paper suggests ways to improve the mechanical performance of electrode materials and identifies mechanical properties that need to be considered for selection and optimal design of electrode materials.
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spelling pubmed-64277852019-04-10 Simulation-driven Selection of Electrode Materials Based on Mechanical Performance for Lithium-Ion Battery Sarkar, Abhishek Shrotriya, Pranav Chandra, Abhijit Materials (Basel) Article Experimental and numerical studies have shown that mechanical loading associated with lithiation/delithiation may limit the useful life of battery electrode materials. The paper presents an approach to parameterize and compare electrode material performance based on mechanical stability. A mathematical model was developed to determine particle deformation and stress fields based upon an elastic-perfectly plastic constitutive response. Mechanical deformation was computed by combining the stress equilibrium equations with the electrochemical diffusion of lithium ions into the electrode particle. The result provided a time developing stress field which shifts from purely elastic to partially plastic deformation as the lithium-ion diffuses into the particle. The model was used to derive five merit indices that parameterize mechanical stability of electrode materials. The merit indices were used to analyze the mechanical stability for the six candidate electrode materials—three for anode materials and three for the cathode material. Finally, the paper suggests ways to improve the mechanical performance of electrode materials and identifies mechanical properties that need to be considered for selection and optimal design of electrode materials. MDPI 2019-03-12 /pmc/articles/PMC6427785/ /pubmed/30870987 http://dx.doi.org/10.3390/ma12050831 Text en © 2019 by the authors. 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 (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Sarkar, Abhishek
Shrotriya, Pranav
Chandra, Abhijit
Simulation-driven Selection of Electrode Materials Based on Mechanical Performance for Lithium-Ion Battery
title Simulation-driven Selection of Electrode Materials Based on Mechanical Performance for Lithium-Ion Battery
title_full Simulation-driven Selection of Electrode Materials Based on Mechanical Performance for Lithium-Ion Battery
title_fullStr Simulation-driven Selection of Electrode Materials Based on Mechanical Performance for Lithium-Ion Battery
title_full_unstemmed Simulation-driven Selection of Electrode Materials Based on Mechanical Performance for Lithium-Ion Battery
title_short Simulation-driven Selection of Electrode Materials Based on Mechanical Performance for Lithium-Ion Battery
title_sort simulation-driven selection of electrode materials based on mechanical performance for lithium-ion battery
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6427785/
https://www.ncbi.nlm.nih.gov/pubmed/30870987
http://dx.doi.org/10.3390/ma12050831
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AT chandraabhijit simulationdrivenselectionofelectrodematerialsbasedonmechanicalperformanceforlithiumionbattery