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

doi:10.1039/c7ta03199h

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

Journal Article · 23 August 2017 · Journal of Materials Chemistry. A

DOI: https://doi.org/10.1039/c7ta03199h · OSTI ID:1535259

^[1]; Swamy, Tushar ^[1];

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Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering

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.

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Research Organization:: Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0002633

OSTI ID:: 1535259

Journal Information:: Journal of Materials Chemistry. A, Vol. 5, Issue 36; ISSN 2050-7488

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 167 works

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