Non-uniform Stress-free Strains in a Spherically Symmetrical Nano-sized Particle and Its Applications to Lithium-ion Batteries
Abstract
The stress-free strain originated from local chemical composition and phase transformation can significantly alter the microstructures of materials; and then affect their properties. In this paper, we developed an analytical method to calculate stress-strain field due to the non-uniform stress-free strain in a spherically symmetrical particle. Applying the method to a lithium ion (Li-ion) battery electrode, the evolution of Li-ion concentration and strain field during the lithiation process is studied. Our studies reveal that the maximum strain in the electrode generally occurs on surface of sample, and is mainly dependent on the difference of Li-ion concentration of surface and of center in sample. Decreasing the difference of Li-ion concentration can efficiently decrease the maximum strain so that cracks of electrodes can been prevented. Our analytical results provide a useful guidance for practical applications of energy storage materials.
- Authors:
-
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Rice Univ., Houston, TX (United States)
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
- OSTI Identifier:
- 1624390
- Grant/Contract Number:
- AC02-98CH10886
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 77 NANOSCIENCE AND NANOTECHNOLOGY; 36 MATERIALS SCIENCE; Science & Technology - Other Topics; Nanoparticles
Citation Formats
Meng, Qingping, Wu, Lijun, Welch, David O., Tang, Ming, and Zhu, Yimei. Non-uniform Stress-free Strains in a Spherically Symmetrical Nano-sized Particle and Its Applications to Lithium-ion Batteries. United States: N. p., 2018.
Web. doi:10.1038/s41598-018-23320-7.
Meng, Qingping, Wu, Lijun, Welch, David O., Tang, Ming, & Zhu, Yimei. Non-uniform Stress-free Strains in a Spherically Symmetrical Nano-sized Particle and Its Applications to Lithium-ion Batteries. United States. https://doi.org/10.1038/s41598-018-23320-7
Meng, Qingping, Wu, Lijun, Welch, David O., Tang, Ming, and Zhu, Yimei. Wed .
"Non-uniform Stress-free Strains in a Spherically Symmetrical Nano-sized Particle and Its Applications to Lithium-ion Batteries". United States. https://doi.org/10.1038/s41598-018-23320-7. https://www.osti.gov/servlets/purl/1624390.
@article{osti_1624390,
title = {Non-uniform Stress-free Strains in a Spherically Symmetrical Nano-sized Particle and Its Applications to Lithium-ion Batteries},
author = {Meng, Qingping and Wu, Lijun and Welch, David O. and Tang, Ming and Zhu, Yimei},
abstractNote = {The stress-free strain originated from local chemical composition and phase transformation can significantly alter the microstructures of materials; and then affect their properties. In this paper, we developed an analytical method to calculate stress-strain field due to the non-uniform stress-free strain in a spherically symmetrical particle. Applying the method to a lithium ion (Li-ion) battery electrode, the evolution of Li-ion concentration and strain field during the lithiation process is studied. Our studies reveal that the maximum strain in the electrode generally occurs on surface of sample, and is mainly dependent on the difference of Li-ion concentration of surface and of center in sample. Decreasing the difference of Li-ion concentration can efficiently decrease the maximum strain so that cracks of electrodes can been prevented. Our analytical results provide a useful guidance for practical applications of energy storage materials.},
doi = {10.1038/s41598-018-23320-7},
journal = {Scientific Reports},
number = 1,
volume = 8,
place = {United States},
year = {Wed Mar 21 00:00:00 EDT 2018},
month = {Wed Mar 21 00:00:00 EDT 2018}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Electrochemical stiffness in lithium-ion batteries
journal, August 2016
- Tavassol, Hadi; Jones, Elizabeth M. C.; Sottos, Nancy R.
- Nature Materials, Vol. 15, Issue 11
Nucleation barrier for phase transformations in nanosized crystals
journal, May 2002
- Meng, Qingping; Rong, Yonghua; Hsu, T. Y.
- Physical Review B, Vol. 65, Issue 17
Strain Coupling of Conversion-type Fe 3 O 4 Thin Films for Lithium Ion Batteries
journal, May 2017
- Hwang, Sooyeon; Meng, Qingping; Chen, Ping-Fan
- Angewandte Chemie International Edition, Vol. 56, Issue 27
The elastic field outside an ellipsoidal inclusion
journal, October 1959
- Eshelby, John Douglas
- Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 252, Issue 1271, p. 561-569
Stress generation during lithiation of high-capacity electrode particles in lithium ion batteries
journal, July 2013
- Huang, S.; Fan, F.; Li, J.
- Acta Materialia, Vol. 61, Issue 12
Strain Coupling of Conversion-type Fe 3 O 4 Thin Films for Lithium Ion Batteries
journal, May 2017
- Hwang, Sooyeon; Meng, Qingping; Chen, Ping-Fan
- Angewandte Chemie International Edition, Vol. 56, Issue 27
Evolution of stress within a spherical insertion electrode particle under potentiostatic and galvanostatic operation
journal, May 2009
- Cheng, Yang-Tse; Verbrugge, Mark W.
- Journal of Power Sources, Vol. 190, Issue 2, p. 453-460
Measurement of three-dimensional microstructure in a LiCoO2 positive electrode
journal, April 2011
- Wilson, James R.; Cronin, J. Scott; Barnett, Scott A.
- Journal of Power Sources, Vol. 196, Issue 7
Electrochemically Driven Phase Transitions in Insertion Electrodes for Lithium-Ion Batteries: Examples in Lithium Metal Phosphate Olivines
journal, June 2010
- Tang, Ming; Carter, W. Craig; Chiang, Yet-Ming
- Annual Review of Materials Research, Vol. 40, Issue 1
The elastic field outside an ellipsoidal inclusion
journal, October 1959
- Eshelby, John Douglas
- Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 252, Issue 1271, p. 561-569
Kinetics of non-equilibrium lithium incorporation in LiFePO4
journal, July 2011
- Malik, Rahul; Zhou, Fei; Ceder, G.
- Nature Materials, Vol. 10, Issue 8
Electron Microscopy Study of the LiFePO[sub 4] to FePO[sub 4] Phase Transition
journal, January 2006
- Chen, Guoying; Song, Xiangyun; Richardson, Thomas J.
- Electrochemical and Solid-State Letters, Vol. 9, Issue 6
Surface stress and the chemical equilibrium of small crystals—II. Solid particles embedded in a solid matrix
journal, January 1982
- Cahn, J. W.; Lärché, F.
- Acta Metallurgica, Vol. 30, Issue 1
An attempt to estimate the degree of precipitation hardening, with a simple model
journal, January 1940
- Mott, N. F.; Nabarro, F. R. N.
- Proceedings of the Physical Society, Vol. 52, Issue 1
Visualization and Quantification of Electrochemical and Mechanical Degradation in Li Ion Batteries
journal, October 2013
- Ebner, M.; Marone, F.; Stampanoni, M.
- Science, Vol. 342, Issue 6159
Effect of heterogeneity on failure of natural rock samples
journal, September 2020
- Alzaki, Taqi; Al-Dughaimi, Saud; Muqtadir, Arqam
- Scientific Reports, Vol. 10, Issue 1
Size-Dependent Fracture of Silicon Nanoparticles During Lithiation
journal, January 2012
- Liu, Xiao Hua; Zhong, Li; Huang, Shan
- ACS Nano, Vol. 6, Issue 2
Surface Energy of Solids
journal, January 1965
- Bikerman, J. J.
- physica status solidi (b), Vol. 10, Issue 1
Model for the Particle Size, Overpotential, and Strain Dependence of Phase Transition Pathways in Storage Electrodes: Application to Nanoscale Olivines
journal, April 2009
- Tang, M.; Huang, H. -Y.; Meethong, N.
- Chemistry of Materials, Vol. 21, Issue 8
Model for the Particle Size, Overpotential, and Strain Dependence of Phase Transition Pathways in Storage Electrodes: Application to Nanoscale Olivines
journal, April 2009
- Tang, M.; Huang, H. -Y.; Meethong, N.
- Chemistry of Materials, Vol. 21, Issue 8
TEM Study of Electrochemical Cycling-Induced Damage and Disorder in LiCoO[sub 2] Cathodes for Rechargeable Lithium Batteries
journal, January 1999
- Wang, Haifeng
- Journal of The Electrochemical Society, Vol. 146, Issue 2
Measurement of three-dimensional microstructure in a LiCoO2 positive electrode
journal, April 2011
- Wilson, James R.; Cronin, J. Scott; Barnett, Scott A.
- Journal of Power Sources, Vol. 196, Issue 7
Strain Coupling of Conversion‐type Fe 3 O 4 Thin Films for Lithium Ion Batteries
journal, May 2017
- Hwang, Sooyeon; Meng, Qingping; Chen, Ping‐Fan
- Angewandte Chemie, Vol. 129, Issue 27
Stress generation during lithiation of high-capacity electrode particles in lithium ion batteries
journal, July 2013
- Huang, S.; Fan, F.; Li, J.
- Acta Materialia, Vol. 61, Issue 12
LiMn2O4-based composites processed by a chemical-route Microstructural, electrical, electrochemical, and mechanical characterization
journal, April 2003
- Lazarraga, M.
- Journal of Power Sources, Vol. 115, Issue 2
Surface stress and the chemical equilibrium of small crystals—II. Solid particles embedded in a solid matrix
journal, January 1982
- Cahn, J. W.; Lärché, F.
- Acta Metallurgica, Vol. 30, Issue 1
The determination of the elastic field of an ellipsoidal inclusion, and related problems
journal, August 1957
- Eshelby, John Douglas
- Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 241, Issue 1226, p. 376-396
Visualization of lithium-ion transport and phase evolution within and between manganese oxide nanorods
journal, May 2017
- Xu, Feng; Wu, Lijun; Meng, Qingping
- Nature Communications, Vol. 8, Issue 1
Electrochemically Driven Phase Transitions in Insertion Electrodes for Lithium-Ion Batteries: Examples in Lithium Metal Phosphate Olivines
journal, June 2010
- Tang, Ming; Carter, W. Craig; Chiang, Yet-Ming
- Annual Review of Materials Research, Vol. 40, Issue 1
Surface energy of solids
journal, January 1972
- Linford, R. G.
- Chemical Society Reviews, Vol. 1, Issue 4
Recent findings and prospects in the field of pure metals as negative electrodes for Li-ion batteries
journal, January 2007
- Larcher, Dominique; Beattie, Shane; Morcrette, Mathieu
- Journal of Materials Chemistry, Vol. 17, Issue 36
Recent findings and prospects in the field of pure metals as negative electrodes for Li-ion batteries
journal, January 2007
- Larcher, Dominique; Beattie, Shane; Morcrette, Mathieu
- Journal of Materials Chemistry, Vol. 17, Issue 36
Surface Energy of Solids
journal, January 1965
- Bikerman, J. J.
- physica status solidi (b), Vol. 12, Issue 2
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
A continuum theory of elastic material surfaces
journal, December 1975
- Gurtin, Morton E.; Ian Murdoch, A.
- Archive for Rational Mechanics and Analysis, Vol. 57, Issue 4
Effect of internal stress on autocatalytic nucleation of martensitic transformation
journal, May 2006
- Meng, Q. P.; Rong, Y. H.; Hsu (Xu Zuyao), T. Y.
- Metallurgical and Materials Transactions A, Vol. 37, Issue 5
Visualization of lithium-ion transport and phase evolution within and between manganese oxide nanorods
journal, May 2017
- Xu, Feng; Wu, Lijun; Meng, Qingping
- Nature Communications, Vol. 8, Issue 1
Effect of internal stress on autocatalytic nucleation of martensitic transformation
journal, May 2006
- Meng, Q. P.; Rong, Y. H.; Hsu (Xu Zuyao), T. Y.
- Metallurgical and Materials Transactions A, Vol. 37, Issue 5
Surface Energy of Solids
journal, January 1965
- Bikerman, J. J.
- physica status solidi (b), Vol. 12, Issue 2
Concurrent Reaction and Plasticity during Initial Lithiation of Crystalline Silicon in Lithium-Ion Batteries
journal, January 2012
- Zhao, Kejie; Pharr, Matt; Wan, Qiang
- Journal of The Electrochemical Society, Vol. 159, Issue 3
Spinodal decomposition in a small radially stressed sphere
journal, October 2001
- Johnson, W. C.
- Acta Materialia, Vol. 49, Issue 17
Numerical Simulation of Intercalation-Induced Stress in Li-Ion Battery Electrode Particles
journal, January 2007
- Zhang, Xiangchun; Shyy, Wei; Marie Sastry, Ann
- Journal of The Electrochemical Society, Vol. 154, Issue 10
Size-dependent fracture of Si nanowire battery anodes
journal, September 2011
- Ryu, Ill; Choi, Jang Wook; Cui, Yi
- Journal of the Mechanics and Physics of Solids, Vol. 59, Issue 9
A Phase-Field Model Coupled with Large Elasto-Plastic Deformation: Application to Lithiated Silicon Electrodes
journal, January 2014
- Chen, L.; Fan, F.; Hong, L.
- Journal of The Electrochemical Society, Vol. 161, Issue 11
Stress generation and fracture in lithium insertion materials
journal, March 2006
- Christensen, John; Newman, John
- Journal of Solid State Electrochemistry, Vol. 10, Issue 5
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
Size-Dependent Fracture of Silicon Nanoparticles During Lithiation
journal, January 2012
- Liu, Xiao Hua; Zhong, Li; Huang, Shan
- ACS Nano, Vol. 6, Issue 2
Cracking causing cyclic instability of LiFePO4 cathode material
journal, January 2005
- Wang, Deyu; Wu, Xiaodong; Wang, Zhaoxiang
- Journal of Power Sources, Vol. 140, Issue 1
Visualization and Quantification of Electrochemical and Mechanical Degradation in Li Ion Batteries
journal, October 2013
- Ebner, M.; Marone, F.; Stampanoni, M.
- Science, Vol. 342, Issue 6159
Kinetics of non-equilibrium lithium incorporation in LiFePO4
journal, July 2011
- Malik, Rahul; Zhou, Fei; Ceder, G.
- Nature Materials, Vol. 10, Issue 8
Cracking causing cyclic instability of LiFePO4 cathode material
journal, January 2005
- Wang, Deyu; Wu, Xiaodong; Wang, Zhaoxiang
- Journal of Power Sources, Vol. 140, Issue 1
A Mathematical Model of Stress Generation and Fracture in Lithium Manganese Oxide
journal, January 2006
- Christensen, John; Newman, John
- Journal of The Electrochemical Society, Vol. 153, Issue 6
Theory of Chemical Kinetics and Charge Transfer based on Nonequilibrium Thermodynamics
journal, June 2012
- Bazant, Martin Z.
- Accounts of Chemical Research, Vol. 46, Issue 5
Nanostructured materials: basic concepts and microstructure
journal, January 2000
- Gleiter, H.
- Acta Materialia, Vol. 48, Issue 1
Stress generation and fracture in lithium insertion materials
journal, March 2006
- Christensen, John; Newman, John
- Journal of Solid State Electrochemistry, Vol. 10, Issue 5
The nanoscale circuitry of battery electrodes
journal, December 2017
- Zhu, Changbao; Usiskin, Robert E.; Yu, Yan
- Science, Vol. 358, Issue 6369
Electrochemical stiffness in lithium-ion batteries
journal, August 2016
- Tavassol, Hadi; Jones, Elizabeth M. C.; Sottos, Nancy R.
- Nature Materials, Vol. 15, Issue 11
TEM Study of Electrochemical Cycling-Induced Damage and Disorder in LiCoO[sub 2] Cathodes for Rechargeable Lithium Batteries
journal, January 1999
- Wang, Haifeng
- Journal of The Electrochemical Society, Vol. 146, Issue 2
Evolution of stress within a spherical insertion electrode particle under potentiostatic and galvanostatic operation
journal, May 2009
- Cheng, Yang-Tse; Verbrugge, Mark W.
- Journal of Power Sources, Vol. 190, Issue 2, p. 453-460
Size-dependent fracture of Si nanowire battery anodes
journal, September 2011
- Ryu, Ill; Choi, Jang Wook; Cui, Yi
- Journal of the Mechanics and Physics of Solids, Vol. 59, Issue 9
Figures / Tables found in this record: