Quantification of electrochemical-mechanical coupling in lithium-ion batteries

Yuan, Chunhao; Hahn, Youngwon; Lu, Wenquan; Oancea, Victor; Xu, Jun

doi:10.1016/j.xcrp.2022.101158

Quantification of electrochemical-mechanical coupling in lithium-ion batteries

Journal Article · Tue Nov 29 23:00:00 EST 2022 · Cell Reports Physical Science

DOI:https://doi.org/10.1016/j.xcrp.2022.101158· OSTI ID:2234007

Yuan, Chunhao ^[1]; Hahn, Youngwon ^[2]; Lu, Wenquan ^[3]; Oancea, Victor ^[2]; ^[1]

University of North Carolina, Charlotte, NC (United States)
Dassault Systèmes SIMULIA Corp., Johnston, RI (United States)
Argonne National Laboratory (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division

Lithium-ion battery safety and durability by nature are dependent on electrochemical and mechanical coupling. Interdisciplinary efforts are required to understand and quantify coupling behaviors. Here we design and conduct mechanically constrained charge and discharge characterizations with efforts supported by multiphysics modeling to unravel the coupling mechanisms of solid-liquid electrode-electrolyte and solid-solid active materials in lithium-ion batteries. We demonstrate that a lithium-ion battery cell under mechanical constraint exhibits a higher voltage during charging and a shorter charging time because of increased electrolyte resistance and decreased diffusivity caused by decreased electrode porosity. The reaction force response of the cell is a combined result of the cell structural response mechanically and lithium-ion intercalation/de-intercalation-induced volume variation electrochemically. Under mechanical constraint, cell capacity is significantly reduced in fast-charge scenarios; however, it can be recovered by a constant-voltage charge protocol. The results highlight the promise of multiphysics approaches to unravel the electrochemical-mechanical coupling mechanisms to direct battery system design and management.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE) - Office of Vehicle Technologies (VTO); Dassault Systemes Simulia Corp

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2234007

Journal Information:: Cell Reports Physical Science, Journal Name: Cell Reports Physical Science Journal Issue: 12 Vol. 3; ISSN 2666-3864

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (55)

Data‐Driven Safety Risk Prediction of Lithium‐Ion Battery Jia, Yikai; Li, Jiani; Yuan, Chunhao Advanced Energy Materials, Vol. 11, Issue 18 https://doi.org/10.1002/aenm.202003868	journal	March 2021
The Effect of Mechanical State on the Equilibrium Potential of Alkali Metal/Ceramic Single‐Ion Conductor Systems Carmona, Eric A.; Wang, Michael J.; Song, Yueming Advanced Energy Materials, Vol. 11, Issue 29 https://doi.org/10.1002/aenm.202101355	journal	June 2021
A study of the mechanical and electrical properties of a polymer/carbon black binder system used in battery electrodes Chen, Zonghai; Christensen, L.; Dahn, J. R. Journal of Applied Polymer Science, Vol. 90, Issue 7 https://doi.org/10.1002/app.12863	journal	September 2003
Effects of stress dependent electrochemical reaction on voltage hysteresis of lithium ion batteries Li, Haoliang; Song, Yicheng; Lu, Bo Applied Mathematics and Mechanics, Vol. 39, Issue 10 https://doi.org/10.1007/s10483-018-2373-8	journal	August 2018
Coupling Effect of State-of-Health and State-of-Charge on the Mechanical Integrity of Lithium-Ion Batteries Xu, J.; Jia, Y.; Liu, B. Experimental Mechanics, Vol. 58, Issue 4 https://doi.org/10.1007/s11340-018-0380-9	journal	March 2018
Modelling electro-thermal response of lithium-ion batteries from normal to abuse conditions Ping, Ping; Wang, Qingsong; Chung, Youngmann Applied Energy, Vol. 205 https://doi.org/10.1016/j.apenergy.2017.08.073	journal	November 2017
Model-based thermal runaway prediction of lithium-ion batteries from kinetics analysis of cell components Ren, Dongsheng; Liu, Xiang; Feng, Xuning Applied Energy, Vol. 228 https://doi.org/10.1016/j.apenergy.2018.06.126	journal	October 2018
A multilayer electro-thermal model of pouch battery during normal discharge and internal short circuit process Chen, Mingbiao; Bai, Fanfei; Song, Wenji Applied Thermal Engineering, Vol. 120 https://doi.org/10.1016/j.applthermaleng.2017.03.135	journal	June 2017
A pseudo three-dimensional electrochemical-thermal model of a cylindrical LiFePO4/graphite battery Chiew, J.; Chin, C. S.; Toh, W. D. Applied Thermal Engineering, Vol. 147 https://doi.org/10.1016/j.applthermaleng.2018.10.108	journal	January 2019
Electrochemical characterisation and modelling of the mass transport phenomena in LiPF6–EC–EMC electrolyte Nyman, Andreas; Behm, Mårten; Lindbergh, Göran Electrochimica Acta, Vol. 53, Issue 22 https://doi.org/10.1016/j.electacta.2008.04.023	journal	September 2008
Multiphysics computational framework for cylindrical lithium-ion batteries under mechanical abusive loading Liu, Binghe; Zhao, Hui; Yu, Huili Electrochimica Acta, Vol. 256 https://doi.org/10.1016/j.electacta.2017.10.045	journal	December 2017
The mechanics of large-volume-change transformations in high-capacity battery materials McDowell, Matthew T.; Xia, Shuman; Zhu, Ting Extreme Mechanics Letters, Vol. 9 https://doi.org/10.1016/j.eml.2016.03.004	journal	December 2016
Modeling of contact stress among compound particles in high energy lithium-ion battery Gao, Xiang; He, Peng; Ren, Jianguo Energy Storage Materials, Vol. 18 https://doi.org/10.1016/j.ensm.2019.02.007	journal	March 2019
Safety issues and mechanisms of lithium-ion battery cell upon mechanical abusive loading: A review Liu, Binghe; Jia, Yikai; Yuan, Chunhao Energy Storage Materials, Vol. 24 https://doi.org/10.1016/j.ensm.2019.06.036	journal	January 2020
Stress evolution in lithium metal electrodes Cho, Jung Hwi; Xiao, Xingcheng; Guo, Kai Energy Storage Materials, Vol. 24 https://doi.org/10.1016/j.ensm.2019.08.008	journal	January 2020
A multiphysics understanding of internal short circuit mechanisms in lithium-ion batteries upon mechanical stress abuse Duan, Xudong; Wang, Huacui; Jia, Yikai Energy Storage Materials, Vol. 45 https://doi.org/10.1016/j.ensm.2021.12.018	journal	March 2022
Effect of external pressure and internal stress on battery performance and lifespan Li, Ruihe; Li, Wei; Singh, Avtar Energy Storage Materials, Vol. 52 https://doi.org/10.1016/j.ensm.2022.07.034	journal	November 2022
A hyper-viscoelastic model for battery separators based on inverse-stress-solution parametrical calibration method Wang, Yu; Xing, Yuyang; Li, Q. M. International Journal of Mechanical Sciences, Vol. 225 https://doi.org/10.1016/j.ijmecsci.2022.107361	journal	July 2022
Deformation and failure of lithium-ion batteries treated as a discrete layered structure Zhu, Juner; Li, Wei; Wierzbicki, Tomasz International Journal of Plasticity, Vol. 121 https://doi.org/10.1016/j.ijplas.2019.06.011	journal	October 2019
Heterogeneous damage in Li-ion batteries: Experimental analysis and theoretical modeling Xu, Rong; Yang, Yang; Yin, Fei Journal of the Mechanics and Physics of Solids, Vol. 129 https://doi.org/10.1016/j.jmps.2019.05.003	journal	August 2019
Electric Vehicles Batteries: Requirements and Challenges Deng, Jie; Bae, Chulheung; Denlinger, Adam Joule, Vol. 4, Issue 3 https://doi.org/10.1016/j.joule.2020.01.013	journal	March 2020
Mechanical testing and macro-mechanical finite element simulation of the deformation, fracture, and short circuit initiation of cylindrical Lithium ion battery cells Greve, Lars; Fehrenbach, Clemens Journal of Power Sources, Vol. 214 https://doi.org/10.1016/j.jpowsour.2012.04.055	journal	September 2012
Effect of time-dependent material properties on the mechanical behavior of PFSA membranes subjected to humidity cycling Khattra, Narinder S.; Karlsson, Anette M.; Santare, Michael H. Journal of Power Sources, Vol. 214 https://doi.org/10.1016/j.jpowsour.2012.04.065	journal	September 2012
Dissecting anode swelling in commercial lithium-ion batteries Zhang, Ningxin; Tang, Huaqiong Journal of Power Sources, Vol. 218, p. 52-55 https://doi.org/10.1016/j.jpowsour.2012.06.071	journal	November 2012
Transient three-dimensional thermal model for batteries with thin electrodes Taheri, Peyman; Yazdanpour, Maryam; Bahrami, Majid Journal of Power Sources, Vol. 243 https://doi.org/10.1016/j.jpowsour.2013.05.175	journal	December 2013
Coupled mechanical-electrical-thermal modeling for short-circuit prediction in a lithium-ion cell under mechanical abuse Zhang, Chao; Santhanagopalan, Shriram; Sprague, Michael A. Journal of Power Sources, Vol. 290 https://doi.org/10.1016/j.jpowsour.2015.04.162	journal	September 2015
A lumped model of venting during thermal runaway in a cylindrical Lithium Cobalt Oxide lithium-ion cell Coman, Paul T.; Rayman, Sean; White, Ralph E. Journal of Power Sources, Vol. 307 https://doi.org/10.1016/j.jpowsour.2015.12.088	journal	March 2016
A battery model that fully couples mechanics and electrochemistry at both particle and electrode levels by incorporation of particle interaction Wu, Bin; Lu, Wei Journal of Power Sources, Vol. 360 https://doi.org/10.1016/j.jpowsour.2017.05.115	journal	August 2017
Probing the heat sources during thermal runaway process by thermal analysis of different battery chemistries Zheng, Siqi; Wang, Li; Feng, Xuning Journal of Power Sources, Vol. 378 https://doi.org/10.1016/j.jpowsour.2017.12.050	journal	February 2018
A detailed computational model for cylindrical lithium-ion batteries under mechanical loading: From cell deformation to short-circuit onset Wang, Lubing; Yin, Sha; Xu, Jun Journal of Power Sources, Vol. 413 https://doi.org/10.1016/j.jpowsour.2018.12.059	journal	February 2019
Deformation and failure behaviors of anode in lithium-ion batteries: Model and mechanism Wang, Lubing; Duan, Xudong; Liu, Binghe Journal of Power Sources, Vol. 448 https://doi.org/10.1016/j.jpowsour.2019.227468	journal	February 2020
Modeling framework for multiphysics-multiscale behavior of Si–C composite anode Gao, Xiang; Lu, Wenquan; Xu, Jun Journal of Power Sources, Vol. 449 https://doi.org/10.1016/j.jpowsour.2019.227501	journal	February 2020
A coupled electro-chemo-mechanical model for all-solid-state thin film Li-ion batteries: The effects of bending on battery performances Song, Xu; Lu, Yongjun; Wang, Fenghui Journal of Power Sources, Vol. 452 https://doi.org/10.1016/j.jpowsour.2020.227803	journal	March 2020
Mechanistic understanding of the electrochemo-dependent mechanical behaviors of battery anodes Wang, Lubing; Jia, Yikai; Xu, Jun Journal of Power Sources, Vol. 510 https://doi.org/10.1016/j.jpowsour.2021.230428	journal	October 2021
Unlocking the significant role of shell material for lithium-ion battery safety Wang, Lubing; Yin, Sha; Yu, Zhexun Materials & Design, Vol. 160 https://doi.org/10.1016/j.matdes.2018.10.002	journal	December 2018
A review of mechanics-related material damages in all-solid-state batteries: Mechanisms, performance impacts and mitigation strategies Zhang, Fangzhou; Huang, Qiu-An; Tang, Zhepeng Nano Energy, Vol. 70 https://doi.org/10.1016/j.nanoen.2020.104545	journal	April 2020
Lithium-ion (de)intercalation mechanism in core-shell layered Li(Ni,Co,Mn)O2 cathode materials Hua, Weibo; Schwarz, Björn; Azmi, Raheleh Nano Energy, Vol. 78 https://doi.org/10.1016/j.nanoen.2020.105231	journal	December 2020
Intercalation pseudocapacitive electrochemistry of Nb-based oxides for fast charging of lithium-ion batteries Han, Xue; Meng, Qi; Wan, Xin Nano Energy, Vol. 81 https://doi.org/10.1016/j.nanoen.2020.105635	journal	March 2021
Safety modelling and testing of lithium-ion batteries in electrified vehicles Deng, Jie; Bae, Chulheung; Marcicki, James Nature Energy, Vol. 3, Issue 4 https://doi.org/10.1038/s41560-018-0122-3	journal	April 2018
State of Charge Dependent Mechanical Integrity Behavior of 18650 Lithium-ion Batteries Xu, Jun; Liu, Binghe; Hu, Dayong Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep21829	journal	February 2016
Effects of dislocation mechanics on diffusion-induced stresses within a spherical insertion particle electrode Wei, Pengfei; Zhou, Jianqiu; Pang, Xunming J. Mater. Chem. A, Vol. 2, Issue 4 https://doi.org/10.1039/C3TA13925E	journal	January 2014
Coupling Effect of State-of-Charge and Strain Rate on the Mechanical Behavior of Electrodes of 21700 Lithium-Ion Battery Sonwane, Aditya; Yuan, Chunhao; Xu, Jun Journal of Electrochemical Energy Conversion and Storage, Vol. 18, Issue 2 https://doi.org/10.1115/1.4049042	journal	November 2020
Mechanics-Driven Anode Material Failure in Battery Safety and Capacity Deterioration Issues: A Review Gao, Xiang; Jia, Yikai; Zhang, Wen Applied Mechanics Reviews, Vol. 74, Issue 6 https://doi.org/10.1115/1.4054566	journal	November 2022
Change of Conductivity with Salt Content, Solvent Composition, and Temperature for Electrolytes of LiPF[sub 6] in Ethylene Carbonate-Ethyl Methyl Carbonate Ding, M. S.; Xu, K.; Zhang, S. S. Journal of The Electrochemical Society, Vol. 148, Issue 10 https://doi.org/10.1149/1.1403730	journal	January 2001
Comparison of Modeling Predictions with Experimental Data from Plastic Lithium Ion Cells Doyle, Marc Journal of The Electrochemical Society, Vol. 143, Issue 6 https://doi.org/10.1149/1.1836921	journal	January 1996
Transport Properties of LiPF[sub 6]-Based Li-Ion Battery Electrolytes Valo̸en, Lars Ole; Reimers, Jan N. Journal of The Electrochemical Society, Vol. 152, Issue 5 https://doi.org/10.1149/1.1872737	journal	January 2005
Simulation and Optimization of the Dual Lithium Ion Insertion Cell Fuller, Thomas F. Journal of The Electrochemical Society, Vol. 141, Issue 1 https://doi.org/10.1149/1.2054684	journal	January 1994
Modeling of Galvanostatic Charge and Discharge of the Lithium/Polymer/Insertion Cell Doyle, Marc Journal of The Electrochemical Society, Vol. 140, Issue 6 https://doi.org/10.1149/1.2221597	journal	January 1993
Modeling of Particle-Particle Interactions in Porous Cathodes for Lithium-Ion Batteries Stephenson, David E.; Hartman, Erik M.; Harb, John N. Journal of The Electrochemical Society, Vol. 154, Issue 12 https://doi.org/10.1149/1.2783772	journal	January 2007
Coupled Mechanical–Electrochemical–Thermal Study on the Short-Circuit Mechanism of Lithium-Ion Batteries under Mechanical Abuse Li, Honggang; Liu, Binghe; Zhou, Dian Journal of The Electrochemical Society, Vol. 167, Issue 12 https://doi.org/10.1149/1945-7111/aba96f	journal	August 2020
Parameterization of a Physico-Chemical Model of a Lithium-Ion Battery Ecker, Madeleine; Käbitz, Stefan; Laresgoiti, Izaro Journal of The Electrochemical Society, Vol. 162, Issue 9 https://doi.org/10.1149/2.0541509jes	journal	January 2015
A Simulation Framework for Battery Cell Impact Safety Modeling Using LS-DYNA Marcicki, James; Zhu, Min; Bartlett, Alexander Journal of The Electrochemical Society, Vol. 164, Issue 1 https://doi.org/10.1149/2.0661701jes	journal	January 2017
A Multiphysics Computational Framework for Cylindrical Battery Behavior upon Mechanical Loading Based on LS-DYNA Yuan, Chunhao; Gao, Xiang; Wong, Hin Kwan Journal of The Electrochemical Society, Vol. 166, Issue 6 https://doi.org/10.1149/2.1071906jes	journal	January 2019
An Extended Formulation of Butler-Volmer Electrochemical Reaction Kinetics Including the Influence of Mechanics Ganser, Markus; Hildebrand, Felix E.; Klinsmann, Markus Journal of The Electrochemical Society, Vol. 166, Issue 4 https://doi.org/10.1149/2.1111904jes	journal	January 2019
Acute In-Stent Thrombosis after Carotid Angioplasty and Stenting: A Case Report and Literature Review Hu, Wei; Wang, Li; Wang, GuoPing Interventional Neurology, Vol. 7, Issue 5 https://doi.org/10.1159/000486247	journal	January 2018

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