Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design

This is the first quantitative analysis of mechanical reliability of all-solid state batteries. Mechanical degradation of the solid electrolyte (SE) is caused by intercalation-induced expansion of the electrode particles, within the constrains of a dense microstructure. A coupled electro-chemo-mecha...

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Main Authors: Bucci, Giovanna, Swamy, Tushar, Chiang, Yet-Ming, Carter, W Craig
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Published: Royal Society of Chemistry (RSC) 2018
Online Access:http://hdl.handle.net/1721.1/118458
https://orcid.org/0000-0002-5248-8621
https://orcid.org/0000-0002-0833-7674
https://orcid.org/0000-0001-7564-7173
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author Bucci, Giovanna
Swamy, Tushar
Chiang, Yet-Ming
Carter, W Craig
author2 Massachusetts Institute of Technology. Department of Materials Science and Engineering
author_facet Massachusetts Institute of Technology. Department of Materials Science and Engineering
Bucci, Giovanna
Swamy, Tushar
Chiang, Yet-Ming
Carter, W Craig
author_sort Bucci, Giovanna
collection MIT
description This is the first quantitative analysis of mechanical reliability of all-solid state batteries. Mechanical degradation of the solid electrolyte (SE) is caused by intercalation-induced expansion of the electrode particles, within the constrains of a dense microstructure. A coupled electro-chemo-mechanical model was implemented to quantify the material properties that cause an SE to fracture. The treatment of microstructural details is essential to the understanding of stress-localization phenomena and fracture. A cohesive zone model is employed to simulate the evolution of damage. In the numerical tests, fracture is prevented when electrode-particle's expansion is lower than 7.5% (typical for most Li-intercalating compounds) and the solid-electrolyte's fracture energy higher than G[subscript c]= 4 J m⁻². Perhaps counter-intuitively, the analyses show that compliant solid electrolytes (with Young's modulus in the order of ESE= 15 GPa) are more prone to micro-cracking. This result, captured by our non-linear kinematics model, contradicts the speculation that sulfide SEs are more suitable for the design of bulk-type batteries than oxide SEs. Mechanical degradation is linked to the battery power-density. Fracture in solid Li-ion conductors represents a barrier for Li transport, and accelerates the decay of rate performance.
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spelling mit-1721.1/1184582022-09-27T14:03:31Z Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design Bucci, Giovanna Swamy, Tushar Chiang, Yet-Ming Carter, W Craig Massachusetts Institute of Technology. Department of Materials Science and Engineering Bucci, Giovanna Swamy, Tushar Chiang, Yet-Ming Carter, W Craig This is the first quantitative analysis of mechanical reliability of all-solid state batteries. Mechanical degradation of the solid electrolyte (SE) is caused by intercalation-induced expansion of the electrode particles, within the constrains of a dense microstructure. A coupled electro-chemo-mechanical model was implemented to quantify the material properties that cause an SE to fracture. The treatment of microstructural details is essential to the understanding of stress-localization phenomena and fracture. A cohesive zone model is employed to simulate the evolution of damage. In the numerical tests, fracture is prevented when electrode-particle's expansion is lower than 7.5% (typical for most Li-intercalating compounds) and the solid-electrolyte's fracture energy higher than G[subscript c]= 4 J m⁻². Perhaps counter-intuitively, the analyses show that compliant solid electrolytes (with Young's modulus in the order of ESE= 15 GPa) are more prone to micro-cracking. This result, captured by our non-linear kinematics model, contradicts the speculation that sulfide SEs are more suitable for the design of bulk-type batteries than oxide SEs. Mechanical degradation is linked to the battery power-density. Fracture in solid Li-ion conductors represents a barrier for Li transport, and accelerates the decay of rate performance. United States. Department of Energy (Grant DE-SC0002633) 2018-10-12T16:05:17Z 2018-10-12T16:05:17Z 2017-08 2017-04 2018-09-25T16:53:24Z Article http://purl.org/eprint/type/JournalArticle 2050-7488 2050-7496 http://hdl.handle.net/1721.1/118458 Bucci, Giovanna et al. “Modeling of Internal Mechanical Failure of All-Solid-State Batteries During Electrochemical Cycling, and Implications for Battery Design.” Journal of Materials Chemistry A 5, 36 (August 2017): 19422–19430 © 2017 The Royal Society of Chemistry https://orcid.org/0000-0002-5248-8621 https://orcid.org/0000-0002-0833-7674 https://orcid.org/0000-0001-7564-7173 http://dx.doi.org/10.1039/C7TA03199H Journal of Materials Chemistry A Creative Commons Attribution-Noncommercial-Share Alike http://creativecommons.org/licenses/by-nc-sa/4.0/ application/pdf Royal Society of Chemistry (RSC) arXiv
spellingShingle Bucci, Giovanna
Swamy, Tushar
Chiang, Yet-Ming
Carter, W Craig
Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design
title Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design
title_full Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design
title_fullStr Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design
title_full_unstemmed Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design
title_short Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design
title_sort modeling of internal mechanical failure of all solid state batteries during electrochemical cycling and implications for battery design
url http://hdl.handle.net/1721.1/118458
https://orcid.org/0000-0002-5248-8621
https://orcid.org/0000-0002-0833-7674
https://orcid.org/0000-0001-7564-7173
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AT chiangyetming modelingofinternalmechanicalfailureofallsolidstatebatteriesduringelectrochemicalcyclingandimplicationsforbatterydesign
AT carterwcraig modelingofinternalmechanicalfailureofallsolidstatebatteriesduringelectrochemicalcyclingandimplicationsforbatterydesign