Scaling Relations for Intercalation Induced Damage in Electrodes
Abstract
Mechanical degradation, owing to intercalation induced stress and microcrack formation, is a key contributor to the electrode performance decay in lithium-ion batteries (LIBs). The stress generation and formation of microcracks are caused by the solid state diffusion of lithium in the active particles. Here in this work, scaling relations are constructed for diffusion induced damage in intercalation electrodes based on an extensive set of numerical experiments with a particle-level description of microcrack formation under disparate operating and cycling conditions, such as temperature, particle size, C-rate, and drive cycle. The microcrack formation and evolution in active particles is simulated based on a stochastic methodology. A reduced order scaling law is constructed based on an extensive set of data from the numerical experiments. The scaling relations include combinatorial constructs of concentration gradient, cumulative strain energy, and microcrack formation. Lastly, the reduced order relations are further employed to study the influence of mechanical degradation on cell performance and validated against the high order model for the case of damage evolution during variable current vehicle drive cycle profiles.
- Authors:
-
- Texas A&M Univ., College Station, TX (United States). Dept. of Mechanical Engineering
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- Publication Date:
- Research Org.:
- National Renewable Energy Laboratory (NREL), Golden, CO (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)
- OSTI Identifier:
- 1266703
- Alternate Identifier(s):
- OSTI ID: 1359042
- Report Number(s):
- NREL/JA-5400-64300
Journal ID: ISSN 0013-4686
- Grant/Contract Number:
- AC36-08GO28308
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Electrochimica Acta
- Additional Journal Information:
- Journal Volume: 204; Journal Issue: C; Journal ID: ISSN 0013-4686
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 25 ENERGY STORAGE; 42 ENGINEERING; lithium-ion battery electrodes; mechanical degradation; scaling analysis; data-driven approach
Citation Formats
Chen, Chien-Fan, Barai, Pallab, Smith, Kandler, and Mukherjee, Partha P. Scaling Relations for Intercalation Induced Damage in Electrodes. United States: N. p., 2016.
Web. doi:10.1016/j.electacta.2016.03.106.
Chen, Chien-Fan, Barai, Pallab, Smith, Kandler, & Mukherjee, Partha P. Scaling Relations for Intercalation Induced Damage in Electrodes. United States. https://doi.org/10.1016/j.electacta.2016.03.106
Chen, Chien-Fan, Barai, Pallab, Smith, Kandler, and Mukherjee, Partha P. Sat .
"Scaling Relations for Intercalation Induced Damage in Electrodes". United States. https://doi.org/10.1016/j.electacta.2016.03.106. https://www.osti.gov/servlets/purl/1266703.
@article{osti_1266703,
title = {Scaling Relations for Intercalation Induced Damage in Electrodes},
author = {Chen, Chien-Fan and Barai, Pallab and Smith, Kandler and Mukherjee, Partha P.},
abstractNote = {Mechanical degradation, owing to intercalation induced stress and microcrack formation, is a key contributor to the electrode performance decay in lithium-ion batteries (LIBs). The stress generation and formation of microcracks are caused by the solid state diffusion of lithium in the active particles. Here in this work, scaling relations are constructed for diffusion induced damage in intercalation electrodes based on an extensive set of numerical experiments with a particle-level description of microcrack formation under disparate operating and cycling conditions, such as temperature, particle size, C-rate, and drive cycle. The microcrack formation and evolution in active particles is simulated based on a stochastic methodology. A reduced order scaling law is constructed based on an extensive set of data from the numerical experiments. The scaling relations include combinatorial constructs of concentration gradient, cumulative strain energy, and microcrack formation. Lastly, the reduced order relations are further employed to study the influence of mechanical degradation on cell performance and validated against the high order model for the case of damage evolution during variable current vehicle drive cycle profiles.},
doi = {10.1016/j.electacta.2016.03.106},
journal = {Electrochimica Acta},
number = C,
volume = 204,
place = {United States},
year = {Sat Apr 02 00:00:00 EDT 2016},
month = {Sat Apr 02 00:00:00 EDT 2016}
}
Web of Science
Works referenced in this record:
Current research trends and prospects among the various materials and designs used in lithium-based batteries
journal, February 2013
- Wagner, Ralf; Preschitschek, Nina; Passerini, Stefano
- Journal of Applied Electrochemistry, Vol. 43, Issue 5
Lithium Batteries and Cathode Materials
journal, October 2004
- Whittingham, M. Stanley
- Chemical Reviews, Vol. 104, Issue 10, p. 4271-4302
Positive Electrode Materials for Li-Ion and Li-Batteries †
journal, February 2010
- Ellis, Brian L.; Lee, Kyu Tae; Nazar, Linda F.
- Chemistry of Materials, Vol. 22, Issue 3
Issues and challenges facing rechargeable lithium batteries
journal, November 2001
- Tarascon, J.-M.; Armand, M.
- Nature, Vol. 414, Issue 6861, p. 359-367
Diffusion-Induced Stresses of Spherical Core-Shell Electrodes in Lithium-Ion Batteries: The Effects of the Shell and Surface/Interface Stress
journal, January 2013
- Hao, Feng; Fang, Daining
- Journal of The Electrochemical Society, Vol. 160, Issue 4
A study of lithium ion intercalation induced fracture of silicon particles used as anode material in Li-ion battery
journal, October 2011
- Kalnaus, S.; Rhodes, K.; Daniel, C.
- Journal of Power Sources, Vol. 196, Issue 19, p. 8116-8124
Effects of solvents and salts on the thermal stability of LiC6
journal, October 2004
- Jiang, Junwei; Dahn, J. R.
- Electrochimica Acta, Vol. 49, Issue 26
Probing the morphological influence on solid electrolyte interphase and impedance response in intercalation electrodes
journal, January 2015
- Chen, Chien-Fan; Mukherjee, Partha P.
- Physical Chemistry Chemical Physics, Vol. 17, Issue 15
Diffusion Induced Damage and Impedance Response in Lithium-Ion Battery Electrodes
journal, January 2014
- Chen, Chien-Fan; Barai, Pallab; Mukherjee, Partha P.
- Journal of The Electrochemical Society, Vol. 161, Issue 14
Diffusion-Induced Stress, Interfacial Charge Transfer, and Criteria for Avoiding Crack Initiation of Electrode Particles
journal, January 2010
- Cheng, Yang-Tse; Verbrugge, Mark W.
- Journal of The Electrochemical Society, Vol. 157, Issue 4
Numerical modeling of electrochemical–mechanical interactions in lithium polymer batteries
journal, December 2009
- Golmon, Stephanie; Maute, Kurt; Dunn, Martin L.
- Computers & Structures, Vol. 87, Issue 23-24
Examination of Graphite Particle Cracking as a Failure Mode in Lithium-Ion Batteries: A Model-Experimental Study
journal, January 2015
- Takahashi, Kenji; Srinivasan, Venkat
- Journal of The Electrochemical Society, Vol. 162, Issue 4
Mesopores inside electrode particles can change the Li-ion transport mechanism and diffusion-induced stress
journal, August 2010
- Harris, Stephen J.; Deshpande, Rutooj D.; Qi, Yue
- Journal of Materials Research, Vol. 25, Issue 8
Efficient Reformulation of Solid Phase Diffusion in Electrochemical-Mechanical Coupled Models for Lithium-Ion Batteries: Effect of Intercalation Induced Stresses
journal, January 2013
- De, Sumitava; Suthar, Bharatkumar; Rife, Derek
- Journal of The Electrochemical Society, Vol. 160, Issue 10
Capacity Fade Mechanisms and Side Reactions in Lithium-Ion Batteries
journal, January 1998
- Arora, Pankaj; White, Ralph E.; Doyle, Marc
- Journal of The Electrochemical Society, Vol. 145, Issue 10, p. 3647-3667
Battery Cycle Life Prediction with Coupled Chemical Degradation and Fatigue Mechanics
journal, January 2012
- Deshpande, Rutooj; Verbrugge, Mark; Cheng, Yang-Tse
- Journal of The Electrochemical Society, Vol. 159, Issue 10
Location- and Orientation-Dependent Progressive Crack Propagation in Cylindrical Graphite Electrode Particles
journal, January 2011
- Grantab, Rassin; Shenoy, Vivek B.
- Journal of The Electrochemical Society, Vol. 158, Issue 8
The influence of particle size and spacing on the fragmentation of nanocomposite anodes for Li batteries
journal, May 2012
- Dimitrijevic, B. J.; Aifantis, K. E.; Hackl, K.
- Journal of Power Sources, Vol. 206
The influence of surface mechanics on diffusion induced stresses within spherical nanoparticles
journal, October 2008
- Cheng, Yang-Tse; Verbrugge, Mark W.
- Journal of Applied Physics, Vol. 104, Issue 8
High-performance lithium battery anodes using silicon nanowires
journal, December 2007
- Chan, Candace K.; Peng, Hailin; Liu, Gao
- Nature Nanotechnology, Vol. 3, Issue 1, p. 31-35
Fracture of electrodes in lithium-ion batteries caused by fast charging
journal, October 2010
- Zhao, Kejie; Pharr, Matt; Vlassak, Joost J.
- Journal of Applied Physics, Vol. 108, Issue 7
“Electrochemical Shock” of Intercalation Electrodes: A Fracture Mechanics Analysis
journal, January 2010
- Woodford, William H.; Chiang, Yet-Ming; Carter, W. Craig
- Journal of The Electrochemical Society, Vol. 157, Issue 10
Analysis of a model for the operation of a vanadium redox battery
journal, April 2011
- Vynnycky, M.
- Energy, Vol. 36, Issue 4
Transport Properties of LiPF[sub 6]-Based Li-Ion Battery Electrolytes
journal, January 2005
- Valo̸en, Lars Ole; Reimers, Jan N.
- Journal of The Electrochemical Society, Vol. 152, Issue 5
Reduced order model (ROM) of a pouch type lithium polymer battery based on electrochemical thermal principles for real time applications
journal, May 2013
- Li, Xueyan; Xiao, Meng; Choe, Song-Yul
- Electrochimica Acta, Vol. 97
Reduced order model for a lithium ion cell with uniform reaction rate approximation
journal, January 2013
- Senthil Kumar, V.
- Journal of Power Sources, Vol. 222
Simplification and order reduction of lithium-ion battery model based on porous-electrode theory
journal, January 2012
- Dao, Thanh-Son; Vyasarayani, Chandrika P.; McPhee, John
- Journal of Power Sources, Vol. 198
Statistical models of brittle fragmentation
journal, May 2006
- Åström, J. A.
- Advances in Physics, Vol. 55, Issue 3-4
Scale invariance in plastic flow of crystalline solids
journal, January 2006
- Zaiser, Michael
- Advances in Physics, Vol. 55, Issue 1-2
A random fuse model for breaking processes
journal, January 1985
- de Arcangelis, L.; Redner, S.; Herrmann, H. J.
- Journal de Physique Lettres, Vol. 46, Issue 13
Origin of the Universal Roughness Exponent of Brittle Fracture Surfaces:Stress-Weighted Percolation in the Damage Zone
journal, January 2003
- Hansen, Alex; Schmittbuhl, Jean
- Physical Review Letters, Vol. 90, Issue 4
Roughness exponents: A paradox resolved
journal, August 1993
- Krim, J.; Indekeu, J. O.
- Physical Review E, Vol. 48, Issue 2
Anomalous roughness of fracture surfaces in 2D fuse models
journal, November 2008
- Nukala, Phani K. V. V.; Zapperi, Stefano; Alava, Mikko J.
- International Journal of Fracture, Vol. 154, Issue 1-2
Stochastic Analysis of Diffusion Induced Damage in Lithium-Ion Battery Electrodes
journal, January 2013
- Barai, Pallab; Mukherjee, Partha P.
- Journal of The Electrochemical Society, Vol. 160, Issue 6, p. A955-A967
Probing the Thermal Implications in Mechanical Degradation of Lithium-Ion Battery Electrodes
journal, January 2014
- An, Kai; Barai, Pallab; Smith, Kandler
- Journal of The Electrochemical Society, Vol. 161, Issue 6
Mechano-Electrochemical Model for Acoustic Emission Characterization in Intercalation Electrodes
journal, January 2014
- Barai, Pallab; Mukherjee, Partha P.
- Journal of The Electrochemical Society, Vol. 161, Issue 11
Thermal and diffusion‐induced stresses in crystalline solids
journal, January 1995
- Belova, I. V.; Murch, G. E.
- Journal of Applied Physics, Vol. 77, Issue 1
Erratum: Numerical Simulation of Intercalation-Induced Stress in Li-Ion Battery Electrode Particles [J. Electrochem. Soc., 154, A910 (2007)]
journal, January 2007
- Zhang, Xiangchun; Shyy, Wei; Marie Sastry, Ann
- Journal of The Electrochemical Society, Vol. 154, Issue 12
Statistical properties of fracture in a random spring model
journal, June 2005
- Nukala, Phani Kumar V. V.; Zapperi, Stefano; Šimunović, Srđan
- Physical Review E, Vol. 71, Issue 6
Scaling of surface roughness in perfectly plastic disordered media
journal, November 2010
- Barai, Pallab; Sampath, Rahul; Nukala, Phani Kumar V. V.
- Physical Review E, Vol. 82, Issue 5
The effective surface energy of brittle materials
journal, March 1968
- Davidge, R. W.; Tappin, G.
- Journal of Materials Science, Vol. 3, Issue 2
Lithium Concentration Dependent Elastic Properties of Battery Electrode Materials from First Principles Calculations
journal, January 2014
- Qi, Yue; Hector, Louis G.; James, Christine
- Journal of The Electrochemical Society, Vol. 161, Issue 11
Crack roughness in the two-dimensional random threshold beam model
journal, October 2008
- Nukala, Phani K. V. V.; Zapperi, Stefano; Alava, Mikko J.
- Physical Review E, Vol. 78, Issue 4
Crack roughness and avalanche precursors in the random fuse model
journal, February 2005
- Zapperi, Stefano; Nukala, Phani Kumar V. V.; Šimunović, Srdan
- Physical Review E, Vol. 71, Issue 2
A 3D distinct lattice spring model for elasticity and dynamic failure
journal, May 2011
- Zhao, Gao-Feng; Fang, Jiannong; Zhao, Jian
- International Journal for Numerical and Analytical Methods in Geomechanics, Vol. 35, Issue 8
Reduced Order Modeling of Mechanical Degradation Induced Performance Decay in Lithium-Ion Battery Porous Electrodes
journal, January 2015
- Barai, Pallab; Smith, Kandler; Chen, Chien-Fan
- Journal of The Electrochemical Society, Vol. 162, Issue 9
Columnar order in jammed LiFePO4 cathodes: ion transport catastrophe and its mitigation
journal, January 2012
- Smith, Kyle C.; Mukherjee, Partha P.; Fisher, Timothy S.
- Physical Chemistry Chemical Physics, Vol. 14, Issue 19
Electrochemically driven first-order phase transitions caused by elastic responses of ion-insertion electrodes under external kinetic control
journal, December 2008
- Levi, M. D.; Aurbach, D.; Maier, J.
- Journal of Electroanalytical Chemistry, Vol. 624, Issue 1-2
Diffusion aspects of lithium intercalation as applied to the development of electrode materials for lithium-ion batteries
journal, December 2013
- Churikov, A. V.; Ivanishchev, A. V.; Ushakov, A. V.
- Journal of Solid State Electrochemistry, Vol. 18, Issue 5
A three-dimensional multi-physics model for a Li-ion battery
journal, October 2013
- Guo, Meng; Kim, Gi-Heon; White, Ralph E.
- Journal of Power Sources, Vol. 240
Works referencing / citing this record:
Mechano-Electrochemical Interaction and Degradation in Graphite Electrode with Surface Film
journal, January 2018
- Verma, Ankit; Kotaka, Toshikazu; Tabuchi, Yuichiro
- Journal of The Electrochemical Society, Vol. 165, Issue 10
Laser-induced breakdown spectroscopy for the quantitative measurement of lithium concentration profiles in structured and unstructured electrodes
journal, January 2019
- Smyrek, Peter; Bergfeldt, Thomas; Seifert, Hans Jürgen
- Journal of Materials Chemistry A, Vol. 7, Issue 10
Mechanical, Electrical, and Ionic Behavior of Lithium‐Ion Battery Electrodes via Discrete Element Method Simulations
journal, April 2019
- Sangrós Giménez, Clara; Schilde, Carsten; Froböse, Linus
- Energy Technology, Vol. 8, Issue 2
Laser-induced breakdown spectroscopy for the quantitative measurement of lithium concentration profiles in structured and unstructured electrodes
text, January 2019
- Smyrek, Peter; Bergfeldt, Thomas; Seifert, Hans Jürgen
- Karlsruhe