Elucidating the complex interplay between thermodynamics, kinetics, and electrochemistry in battery electrodes through phase-field modeling

Andrews, W. Beck; Thornton, Katsuyo

doi:10.1557/s43577-024-00732-7

Title: Elucidating the complex interplay between thermodynamics, kinetics, and electrochemistry in battery electrodes through phase-field modeling

Journal Article · 21 May 2024 · MRS Bulletin

DOI: https://doi.org/10.1557/s43577-024-00732-7 · OSTI ID:2352797

;

Abstract This article highlights applications of phase-field modeling to electrochemical systems, with a focus on battery electrodes. We first provide an overview on the physical processes involved in electrochemical systems and applications of the phase-field approach to understand the thermodynamic and kinetic mechanisms underlying these processes. We employ two examples to highlight how realistic thermodynamics and kinetics can naturally be incorporated into phase-field modeling of electrochemical processes. One is a composite battery cathode with an intercalation compound (Li _x FePO ₄ ) as the electrochemically active material, and the other is a displacement reaction compound (Li–Cu–TiS ₂ ). With the input parameters mostly from atomistic calculations and experimental measurements, phase-field simulations allowed us to untangle the interactions among transport, reaction, electricity, chemistry, and thermodynamics that lead to highly complex evolution of the materials within battery electrodes. The implications of these observations for battery performance and degradation are discussed. Graphical abstract

View Journal Article

Cite

Export

Save

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0023438

OSTI ID:: 2352797

Journal Information:: MRS Bulletin, Journal Name: MRS Bulletin Journal Issue: 6 Vol. 49; ISSN 0883-7694

Publisher:: Cambridge University Press (CUP)Copyright Statement

Country of Publication:: United States

Language:: English

References (96)

A Bottom-Up Approach to Lithium-Ion Battery Cost Modeling with a Focus on Cathode Active Materials Wentker, Marc; Greenwood, Matthew; Leker, Jens Energies, Vol. 12, Issue 3 https://doi.org/10.3390/en12030504	journal	February 2019
Tracking lithium transport and electrochemical reactions in nanoparticles Wang, Feng; Yu, Hui-Chia; Chen, Min-Hua Nature Communications, Vol. 3, Issue 1 https://doi.org/10.1038/ncomms2185	journal	January 2012
Electrochemo-mechanical effects as a critical design factor for all-solid-state batteries Bae Song, Yong; Kwak, Hiram; Cho, Woosuk Current Opinion in Solid State and Materials Science, Vol. 26, Issue 1 https://doi.org/10.1016/j.cossms.2021.100977	journal	February 2022
Modeling intercalation in cathode materials with phase-field methods: Assumptions and implications using the example of LiFePO4 Daubner, Simon; Weichel, Marcel; Schneider, Daniel Electrochimica Acta, Vol. 421 https://doi.org/10.1016/j.electacta.2022.140516	journal	July 2022
Computational Examination of Orientation-Dependent Morphological Evolution during the Electrodeposition and Electrodissolution of Magnesium DeWitt, S.; Hahn, N.; Zavadil, K. Journal of The Electrochemical Society, Vol. 163, Issue 3 https://doi.org/10.1149/2.0781603jes	journal	December 2015
The compound energy formalism Hillert, Mats Journal of Alloys and Compounds, Vol. 320, Issue 2 https://doi.org/10.1016/S0925-8388(00)01481-X	journal	May 2001
A review on phase-field models of brittle fracture and a new fast hybrid formulation Ambati, Marreddy; Gerasimov, Tymofiy; De Lorenzis, Laura Computational Mechanics, Vol. 55, Issue 2 https://doi.org/10.1007/s00466-014-1109-y	journal	December 2014
Simulating microgalvanic corrosion in alloys using the PRISMS phase-field framework Goel, Vishwas; Lyu, Yanjun; DeWitt, Stephen MRS Communications, Vol. 12, Issue 6 https://doi.org/10.1557/s43579-022-00266-6	journal	October 2022
Kinetics of non-equilibrium lithium incorporation in LiFePO4 Malik, Rahul; Zhou, Fei; Ceder, G. Nature Materials, Vol. 10, Issue 8 https://doi.org/10.1038/Nmat3065	journal	July 2011
Approaching Theoretical Capacity of LiFePO[sub 4] at Room Temperature at High Rates Huang, H.; Yin, S. -C.; Nazar, L. F. Electrochemical and Solid-State Letters, Vol. 4, Issue 10 https://doi.org/10.1149/1.1396695	journal	January 2001
Designing the next generation high capacity battery electrodes Yu, H. -C.; Ling, C.; Bhattacharya, J. Energy & Environmental Science, Vol. 7, Issue 5 https://doi.org/10.1039/c3ee43154a	journal	January 2014
Intercalation dynamics in rechargeable battery materials: General theory and phase-transformation waves in LiFePO4 Singh, Gogi K.; Ceder, Gerbrand; Bazant, Martin Z. Electrochimica Acta, Vol. 53, Issue 26 https://doi.org/10.1016/j.electacta.2008.03.083	journal	November 2008
Efficient Simulation of Chemical–Mechanical Coupling in Battery Active Particles Castelli, Giuseppe F.; von Kolzenberg, Lars; Horstmann, Birger Energy Technology, Vol. 9, Issue 6 https://doi.org/10.1002/ente.202000835	journal	May 2021
Analysis of the Diffuse Domain Method for Second Order Elliptic Boundary Value Problems Burger, Martin; Elvetun, Ole Løseth; Schlottbom, Matthias Foundations of Computational Mathematics, Vol. 17, Issue 3 https://doi.org/10.1007/s10208-015-9292-6	journal	October 2015
Ultra-large-scale phase-field simulation study of ideal grain growth Miyoshi, Eisuke; Takaki, Tomohiro; Ohno, Munekazu npj Computational Materials, Vol. 3, Issue 1 https://doi.org/10.1038/s41524-017-0029-8	journal	July 2017
On spinodal decomposition Cahn, John W. Acta Metallurgica, Vol. 9, Issue 9 https://doi.org/10.1016/0001-6160(61)90182-1	journal	September 1961
Architecture Dependence on the Dynamics of Nano-LiFePO4 Electrodes Orvananos, Bernardo; Malik, Rahul; Yu, Hui-Chia Electrochimica Acta, Vol. 137 https://doi.org/10.1016/j.electacta.2014.06.029	journal	August 2014
Theoretical Analysis of Current Distribution in Porous Electrodes Newman, John S.; Tobias, Charles W. Journal of The Electrochemical Society, Vol. 109, Issue 12 https://doi.org/10.1149/1.2425269	journal	January 1962
Impact of Cathode Material Particle Size on the Capacity of Bulk-Type All-Solid-State Batteries Strauss, Florian; Bartsch, Timo; de Biasi, Lea ACS Energy Letters, Vol. 3, Issue 4 https://doi.org/10.1021/acsenergylett.8b00275	journal	March 2018
Comparison of phase-field and Potts models for coarsening processes Tikare, V.; Holm, E. A.; Fan, D. Acta Materialia, Vol. 47, Issue 1 https://doi.org/10.1016/S1359-6454(98)00313-9	journal	December 1998
Optimization of laser-patterned electrode architectures for fast charging of Li-ion batteries using simulations parameterized by machine learning Goel, Vishwas; Chen, Kuan-Hung; Dasgupta, Neil P. Energy Storage Materials, Vol. 57 https://doi.org/10.1016/j.ensm.2023.01.050	journal	March 2023
Smoothed Boundary Method for simulating bulk and grain boundary transport in complex polycrystalline microstructures Yu, Hui-Chia; Choe, Min-Ju; Amatucci, Glenn G. Computational Materials Science, Vol. 121 https://doi.org/10.1016/j.commatsci.2016.04.028	journal	August 2016
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
Archimedean lattices emerge in template-directed eutectic solidification Kulkarni, Ashish A.; Hanson, Erik; Zhang, Runyu Nature, Vol. 577, Issue 7790 https://doi.org/10.1038/s41586-019-1893-9	journal	January 2020
Three-dimensional phase field model of proper martensitic transformation Artemev, A.; Jin, Y.; Khachaturyan, A. G. Acta Materialia, Vol. 49, Issue 7 https://doi.org/10.1016/S1359-6454(01)00021-0	journal	April 2001
Modeling the performance of rechargeable lithium-based cells: design correlations for limiting cases Doyle, Marc; Newman, John Journal of Power Sources, Vol. 54, Issue 1 https://doi.org/10.1016/0378-7753(94)02038-5	journal	March 1995
Single-particle measurements of electrochemical kinetics in NMC and NCA cathodes for Li-ion batteries Tsai, Ping-Chun; Wen, Bohua; Wolfman, Mark Energy & Environmental Science, Vol. 11, Issue 4 https://doi.org/10.1039/c8ee00001h	journal	January 2018
Mapping the Inhomogeneous Electrochemical Reaction Through Porous LiFePO ₄ -Electrodes in a Standard Coin Cell Battery Strobridge, Fiona C.; Orvananos, Bernardo; Croft, Mark Chemistry of Materials, Vol. 27, Issue 7 https://doi.org/10.1021/cm504317a	journal	March 2015
Three-dimensional phase-field simulations of coarsening kinetics of γ′ particles in binary Ni–Al alloys Zhu, J. Z.; Wang, T.; Ardell, A. J. Acta Materialia, Vol. 52, Issue 9 https://doi.org/10.1016/j.actamat.2004.02.032	journal	May 2004
Quantitative Phase Field Model for Electrochemical Systems Zhang, Jin; Chadwick, Alexander F.; Voorhees, Peter W. Journal of The Electrochemical Society, Vol. 170, Issue 12 https://doi.org/10.1149/1945-7111/ad0ff6	journal	December 2023
Phase-Field Methods in Materials Science and Engineering Provatas, Nikolas; Elder, Ken Wiley‐VCH Verlag GmbH & Co. https://doi.org/10.1002/9783527631520	book	January 2010
Enabling 6C Fast Charging of Li‐Ion Batteries with Graphite/Hard Carbon Hybrid Anodes Chen, Kuan‐Hung; Goel, Vishwas; Namkoong, Min Ji Advanced Energy Materials, Vol. 11, Issue 5 https://doi.org/10.1002/aenm.202003336	journal	December 2020
Analysis of Polarization in Realistic Li Ion Battery Electrode Microstructure Using Numerical Simulation Yan, Bo; Lim, Cheolwoong; Song, Zhibin Electrochimica Acta, Vol. 185 https://doi.org/10.1016/j.electacta.2015.10.086	journal	December 2015
Theory of Chemical Kinetics and Charge Transfer based on Nonequilibrium Thermodynamics Bazant, Martin Z. Accounts of Chemical Research, Vol. 46, Issue 5 https://doi.org/10.1021/ar300145c	journal	June 2012
Simulation of the Electrochemical Impedance in a Three-Dimensional, Complex Microstructure of Solid Oxide Fuel Cell Cathode and Its Application in the Microstructure Characterization Goel, Vishwas; Cox, Dalton; Barnett, Scott A. Frontiers in Chemistry, Vol. 9 https://doi.org/10.3389/fchem.2021.627699	journal	May 2021
Quantitative phase-field modeling of dendritic electrodeposition Cogswell, Daniel A. Physical Review E, Vol. 92, Issue 1 https://doi.org/10.1103/PhysRevE.92.011301	journal	July 2015
Nonequilibrium Thermodynamics of Porous Electrodes Ferguson, Todd R.; Bazant, Martin Z. Journal of The Electrochemical Society, Vol. 159, Issue 12 https://doi.org/10.1149/2.048212jes	journal	January 2012
Higher-order accurate diffuse-domain methods for partial differential equations with Dirichlet boundary conditions in complex, evolving geometries Yu, Fei; Guo, Zhenlin; Lowengrub, John Journal of Computational Physics, Vol. 406 https://doi.org/10.1016/j.jcp.2019.109174	journal	April 2020
Particle-size and morphology dependence of the preferred interface orientation in LiFePO ₄ nano-particles Abdellahi, Aziz; Akyildiz, Oncu; Malik, Rahul J. Mater. Chem. A, Vol. 2, Issue 37 https://doi.org/10.1039/C4TA02935F	journal	January 2014
The evolution of interfacial morphology during coarsening: A comparison between 4D experiments and phase-field simulations Aagesen, L. K.; Fife, J. L.; Lauridsen, E. M. Scripta Materialia, Vol. 64, Issue 5 https://doi.org/10.1016/j.scriptamat.2010.10.040	journal	March 2011
Effect of a Size-Dependent Equilibrium Potential on Nano-LiFePO ₄ Particle Interactions Orvananos, Bernardo; Yu, Hui-Chia; Malik, Rahul Journal of The Electrochemical Society, Vol. 162, Issue 9 https://doi.org/10.1149/2.0161509jes	journal	January 2015
Comparative study of two phase-field models for grain growth Moelans, Nele; Wendler, Frank; Nestler, Britta Computational Materials Science, Vol. 46, Issue 2 https://doi.org/10.1016/j.commatsci.2009.03.037	journal	August 2009
Understanding the Effect of Electrochemical Properties and Microstructure on the Microgalvanic Corrosion of Mg Alloys via Phase-Field Simulations Goel, Vishwas; Montiel, David; Thornton, Katsuyo Journal of The Electrochemical Society, Vol. 170, Issue 10 https://doi.org/10.1149/1945-7111/acf78e	journal	October 2023
Numerical Modeling of Localized Corrosion Using Phase-Field and Smoothed Boundary Methods Chadwick, Alexander F.; Stewart, James A.; Enrique, Raúl A. Journal of The Electrochemical Society, Vol. 165, Issue 10 https://doi.org/10.1149/2.0701810jes	journal	January 2018
A review on modeling of electro-chemo-mechanics in lithium-ion batteries Zhao, Ying; Stein, Peter; Bai, Yang Journal of Power Sources, Vol. 413 https://doi.org/10.1016/j.jpowsour.2018.12.011	journal	February 2019
The importance of the lithium ion transference number in lithium/polymer cells Doyle, Marc; Fuller, Thomas F.; Newman, John Electrochimica Acta, Vol. 39, Issue 13 https://doi.org/10.1016/0013-4686(94)85091-7	journal	September 1994
Lithium Batteries and Cathode Materials Whittingham, M. Stanley Chemical Reviews, Vol. 104, Issue 10, p. 4271-4302 https://doi.org/10.1021/cr020731c	journal	October 2004
Solidification microstructures and solid-state parallels: Recent developments, future directions Asta, M.; Beckermann, C.; Karma, A. Acta Materialia, Vol. 57, Issue 4 https://doi.org/10.1016/j.actamat.2008.10.020	journal	February 2009
Solidification microstructures: recent developments, future directions Boettinger, W. J.; Coriell, S. R.; Greer, A. L. Acta Materialia, Vol. 48, Issue 1 https://doi.org/10.1016/S1359-6454(99)00287-6	journal	January 2000
Three-dimensional phase evolution and stress-induced non-uniform Li intercalation behavior in lithium iron phosphate Yang, Kaiqi; Tang, Ming Journal of Materials Chemistry A, Vol. 8, Issue 6 https://doi.org/10.1039/C9TA11697D	journal	January 2020
Current-induced transition from particle-by-particle to concurrent intercalation in phase-separating battery electrodes Li, Yiyang; El Gabaly, Farid; Ferguson, Todd R. Nature Materials, Vol. 13, Issue 12 https://doi.org/10.1038/Nmat4084	journal	September 2014
Simulation of coarsening in three-phase solid oxide fuel cell anodes Chen, Hsun-Yi; Yu, Hui-Chia; Scott Cronin, J. Journal of Power Sources, Vol. 196, Issue 3 https://doi.org/10.1016/j.jpowsour.2010.08.010	journal	February 2011
Particle-Level Modeling of the Charge-Discharge Behavior of Nanoparticulate Phase-Separating Li-Ion Battery Electrodes Orvananos, Bernardo; Ferguson, Todd R.; Yu, Hui-Chia Journal of The Electrochemical Society, Vol. 161, Issue 4 https://doi.org/10.1149/2.024404jes	journal	January 2014
Deformation and stresses in solid-state composite battery cathodes Yu, Hui-Chia; Taha, Doaa; Thompson, Travis Journal of Power Sources, Vol. 440 https://doi.org/10.1016/j.jpowsour.2019.227116	journal	November 2019
Phase-Field Models for Microstructure Evolution Chen, Long-Qing Annual Review of Materials Research, Vol. 32, Issue 1 https://doi.org/10.1146/annurev.matsci.32.112001.132041	journal	August 2002
Three-dimensional phase field model of low-symmetry martensitic transformation in polycrystal: simulation of ζ′2 martensite in AuCd alloys Jin, Y. M.; Artemev, A.; Khachaturyan, A. G. Acta Materialia, Vol. 49, Issue 12 https://doi.org/10.1016/S1359-6454(01)00108-2	journal	July 2001
Suppression of Phase Separation in LiFePO ₄ Nanoparticles During Battery Discharge Bai, Peng; Cogswell, Daniel A.; Bazant, Martin Z. Nano Letters, Vol. 11, Issue 11 https://doi.org/10.1021/nl202764f	journal	November 2011
Phospho-olivines as Positive-Electrode Materials for Rechargeable Lithium Batteries Padhi, A. K. Journal of The Electrochemical Society, Vol. 144, Issue 4, p. 1188-1194 https://doi.org/10.1149/1.1837571	journal	April 1997
Lithium iron phosphate based battery – Assessment of the aging parameters and development of cycle life model Omar, Noshin; Monem, Mohamed Abdel; Firouz, Yousef Applied Energy, Vol. 113 https://doi.org/10.1016/j.apenergy.2013.09.003	journal	January 2014
Modeling 3D Microstructure and Ion Transport in Porous Li-Ion Battery Electrodes Stephenson, David E.; Walker, Bryce C.; Skelton, Cole B. Journal of The Electrochemical Society, Vol. 158, Issue 7 https://doi.org/10.1149/1.3579996	journal	January 2011
Computational modeling of Li-ion batteries Grazioli, D.; Magri, M.; Salvadori, A. Computational Mechanics, Vol. 58, Issue 6 https://doi.org/10.1007/s00466-016-1325-8	journal	August 2016
Control of lamellar eutectic orientation via template-directed solidification Kulkarni, Ashish A.; Kohanek, Julia; Hanson, Erik Acta Materialia, Vol. 166 https://doi.org/10.1016/j.actamat.2019.01.016	journal	March 2019
Phase-Field Model for Microstructure Evolution at the Mesoscopic Scale Steinbach, Ingo Annual Review of Materials Research, Vol. 43, Issue 1 https://doi.org/10.1146/annurev-matsci-071312-121703	journal	July 2013
Free Energy of a Nonuniform System. I. Interfacial Free Energy Cahn, John W.; Hilliard, John E. The Journal of Chemical Physics, Vol. 28, Issue 2 https://doi.org/10.1063/1.1744102	journal	February 1958
Phase-Field Simulation of Solidification Boettinger, W. J.; Warren, J. A.; Beckermann, C. Annual Review of Materials Research, Vol. 32, Issue 1 https://doi.org/10.1146/annurev.matsci.32.101901.155803	journal	August 2002
Phase-Field Computational Framework for Addressing Challenges in Solid-State Batteries Schwietert, Tammo K.; Ombrini, Pierfrancesco; Ootes, Laura S. PRX Energy, Vol. 2, Issue 3 https://doi.org/10.1103/PRXEnergy.2.033014	journal	September 2023
The Design of a LiFePO₄/Carbon Nanocomposite With a Core-Shell Structure and Its Synthesis by an In Situ Polymerization Restriction Method Wang, Yonggang; Wang, Yarong; Hosono, Eiji Angewandte Chemie International Edition, Vol. 47, Issue 39, p. 7461-7465 https://doi.org/10.1002/anie.200802539	journal	September 2008
A particle-resolved 3D finite element model to study the effect of cathode microstructure on the behavior of lithium ion batteries Mai, Weijie; Yang, Ming; Soghrati, Soheil Electrochimica Acta, Vol. 294 https://doi.org/10.1016/j.electacta.2018.10.072	journal	January 2019
The thermodynamic origin of hysteresis in insertion batteries Dreyer, Wolfgang; Jamnik, Janko; Guhlke, Clemens Nature Materials, Vol. 9, Issue 5 https://doi.org/10.1038/nmat2730	journal	April 2010
Three-dimensional phase field model and simulation of martensitic transformation in multilayer systems under applied stresses Artemev, A.; Wang, Y.; Khachaturyan, A. G. Acta Materialia, Vol. 48, Issue 10 https://doi.org/10.1016/S1359-6454(00)00071-9	journal	June 2000
An introduction to phase-field modeling of microstructure evolution Moelans, Nele; Blanpain, Bart; Wollants, Patrick Calphad, Vol. 32, Issue 2 https://doi.org/10.1016/j.calphad.2007.11.003	journal	June 2008
Simulations of the Kirkendall-Effect-Induced Deformation of Thermodynamically Ideal Binary Diffusion Couples with General Geometries Yu, Hui-Chia; Van der Ven, A.; Thornton, K. Metallurgical and Materials Transactions A, Vol. 43, Issue 10 https://doi.org/10.1007/s11661-012-1299-x	journal	July 2012
Morphological stability during electrodeposition Enrique, Raúl A.; DeWitt, Stephen; Thornton, Katsuyo MRS Communications, Vol. 7, Issue 3 https://doi.org/10.1557/mrc.2017.38	journal	June 2017
The Thermodynamics of Elastically Stressed Crystals Voorhees, P. W.; Johnson, William C. Solid State Physics https://doi.org/10.1016/S0081-1947(04)80003-1	book	May 2004
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
Porous-electrode theory with battery applications Newman, John; Tiedemann, William AIChE Journal, Vol. 21, Issue 1 https://doi.org/10.1002/aic.690210103	journal	January 1975
The Effect of Microstructure on the Galvanostatic Discharge of Graphite Anode Electrodes in LiCoO[sub 2]-Based Rocking-Chair Rechargeable Batteries Smith, Madeleine; García, R. Edwin; Horn, Quinn C. Journal of The Electrochemical Society, Vol. 156, Issue 11 https://doi.org/10.1149/1.3216000	journal	January 2009
Computational understanding of Li-ion batteries Urban, Alexander; Seo, Dong-Hwa; Ceder, Gerbrand npj Computational Materials, Vol. 2, Issue 1 https://doi.org/10.1038/npjcompumats.2016.2	journal	March 2016
Transport and mechanical aspects of all-solid-state lithium batteries Deysher, Grayson; Ridley, Phillip; Ham, So-Yeon Materials Today Physics, Vol. 24 https://doi.org/10.1016/j.mtphys.2022.100679	journal	May 2022
Toward Optimal Performance and In-Depth Understanding of Spinel Li ₄ Ti ₅ O ₁₂ Electrodes through Phase Field Modeling Vasileiadis, Alexandros; de Klerk, Niek J. J.; Smith, Raymond B. Advanced Functional Materials, Vol. 28, Issue 16 https://doi.org/10.1002/adfm.201705992	journal	February 2018
Efficient fast-charging of lithium-ion batteries enabled by laser-patterned three-dimensional graphite anode architectures Chen, Kuan-Hung; Namkoong, Min Ji; Goel, Vishwas Journal of Power Sources, Vol. 471 https://doi.org/10.1016/j.jpowsour.2020.228475	journal	September 2020
Phase-field modeling of fracture Wu, Jian-Ying; Nguyen, Vinh Phu; Nguyen, Chi Thanh Advances in Applied Mechanics https://doi.org/10.1016/bs.aams.2019.08.001	book	December 2019
Computational Model of Magnesium Deposition and Dissolution for Property Determination via Cyclic Voltammetry Chadwick, Alexander F.; Vardar, Gulin; DeWitt, Stephen Journal of The Electrochemical Society, Vol. 163, Issue 9 https://doi.org/10.1149/2.0031609jes	journal	January 2016
Measurement of three-dimensional microstructure in a LiCoO2 positive electrode Wilson, James R.; Cronin, J. Scott; Barnett, Scott A. Journal of Power Sources, Vol. 196, Issue 7 https://doi.org/10.1016/j.jpowsour.2010.04.066	journal	April 2011
Extended smoothed boundary method for solving partial differential equations with general boundary conditions on complex boundaries Yu, Hui-Chia; Chen, Hsun-Yi; Thornton, K. Modelling and Simulation in Materials Science and Engineering, Vol. 20, Issue 7 https://doi.org/10.1088/0965-0393/20/7/075008	journal	September 2012
A Phase-Field Model and Simulation of Kinetically Asymmetric Ternary Conversion-Reconversion Transformation in Battery Electrodes Yu, Hui-Chia; Wang, Feng; Amatucci, Glenn G. Journal of Phase Equilibria and Diffusion, Vol. 37, Issue 1 https://doi.org/10.1007/s11669-015-0440-0	journal	January 2016
Kinetic study on LiFePO4-positive electrode material of lithium-ion battery Zhu, Yan-Rong; Xie, Ying; Zhu, Rong-Sun Ionics, Vol. 17, Issue 5 https://doi.org/10.1007/s11581-011-0523-9	journal	February 2011
Chemo-mechanical expansion of lithium electrode materials – on the route to mechanically optimized all-solid-state batteries Koerver, Raimund; Zhang, Wenbo; de Biasi, Lea Energy & Environmental Science, Vol. 11, Issue 8 https://doi.org/10.1039/c8ee00907d	journal	January 2018
Room-temperature miscibility gap in LixFePO4 Yamada, Atsuo; Koizumi, Hiroshi; Nishimura, Shin-ichi Nature Materials, Vol. 5, Issue 5 https://doi.org/10.1038/nmat1634	journal	April 2006
Kinetics of Nanoparticle Interactions in Battery Electrodes Orvananos, Bernardo; Yu, Hui-Chia; Abdellahi, Aziz Journal of The Electrochemical Society, Vol. 162, Issue 6 https://doi.org/10.1149/2.0481506jes	journal	January 2015
Li-ion diffusion kinetics in LiFePO4 thin film prepared by radio frequency magnetron sputtering Xie, J.; Imanishi, N.; Zhang, T. Electrochimica Acta, Vol. 54, Issue 20 https://doi.org/10.1016/j.electacta.2009.03.007	journal	August 2009
Helical crack-front instability in mixed-mode fracture Pons, Antonio J.; Karma, Alain Nature, Vol. 464, Issue 7285 https://doi.org/10.1038/nature08862	journal	March 2010
Modeling the Metal–Insulator Phase Transition in Li _x CoO ₂ for Energy and Information Storage Nadkarni, Neel; Zhou, Tingtao; Fraggedakis, Dimitrios Advanced Functional Materials, Vol. 29, Issue 40 https://doi.org/10.1002/adfm.201902821	journal	August 2019
Multi-scale phase field approach to martensitic transformations Wang, Yunzhi; Khachaturyan, Armen G. Materials Science and Engineering: A, Vol. 438-440 https://doi.org/10.1016/j.msea.2006.04.123	journal	November 2006
A General Discussion of Li Ion Battery Safety Doughty, D. H.; Roth, E. P. Interface magazine, Vol. 21, Issue 2 https://doi.org/10.1149/2.F03122if	journal	January 2012
Quantitative analysis of grain boundary properties in a generalized phase field model for grain growth in anisotropic systems Moelans, N.; Blanpain, B.; Wollants, P. Physical Review B, Vol. 78, Issue 2 https://doi.org/10.1103/PhysRevB.78.024113	journal	July 2008

Similar Records

On the crystallography and reversibility of lithium electrodeposits at ultrahigh capacity

Journal Article · 2021 · Nature Communications · OSTI ID:1826195

Zhao, Qing; Deng, Yue; Utomo, Nyalaliska W.; +4 more

Three-dimensional phase evolution and stress-induced non-uniform Li intercalation behavior in lithium iron phosphate

Journal Article · 2019 · Journal of Materials Chemistry. A · OSTI ID:1803560

Yang, Kaiqi; Tang, Ming

In Situ, Atomic‐Resolution Observation of Lithiation and Sodiation of WS ₂ Nanoflakes: Implications for Lithium‐Ion and Sodium‐Ion Batteries

Journal Article · 2021 · Small · OSTI ID:1782891

Xu, Yaobin; Wang, Ke; Yao, Zhenpeng; +10 more

Title: Elucidating the complex interplay between thermodynamics, kinetics, and electrochemistry in battery electrodes through phase-field modeling

Citation Formats

References (96)

Similar Records

Related Subjects