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

Abstract

This study 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 c = 4 J m -2. Perhaps counter-intuitively, the analyses show that compliant solid electrolytes (with Young's modulus in the order of E SE = 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.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1535259
Grant/Contract Number:  
SC0002633
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. A
Additional Journal Information:
Journal Volume: 5; Journal Issue: 36; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
chemistry; energy & fuels; materials science

Citation Formats

Bucci, Giovanna, Swamy, Tushar, Chiang, Yet-Ming, and Carter, W. Craig. Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design. United States: N. p., 2017. Web. doi:10.1039/c7ta03199h.
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. United States. doi:10.1039/c7ta03199h.
Bucci, Giovanna, Swamy, Tushar, Chiang, Yet-Ming, and Carter, W. Craig. Wed . "Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design". United States. doi:10.1039/c7ta03199h. https://www.osti.gov/servlets/purl/1535259.
@article{osti_1535259,
title = {Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design},
author = {Bucci, Giovanna and Swamy, Tushar and Chiang, Yet-Ming and Carter, W. Craig},
abstractNote = {This study 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 Gc = 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.},
doi = {10.1039/c7ta03199h},
journal = {Journal of Materials Chemistry. A},
number = 36,
volume = 5,
place = {United States},
year = {2017},
month = {8}
}

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Cited by: 26 works
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