In this study, lithium (Li) intercalation-induced stress of LiCoO2 with anisotropic properties using three-dimensional (3D) microstructures has been studied systematically. Phase field method was employed to generate LiCoO2 polycrystals with varying grain sizes. Li diffusion and stresses inside the polycrystalline microstructure with different grain size, grain orientation, and grain boundary diffusivity were investigated using finite element method. The results show that the anisotropic mechanical properties and Li concentration-dependent volume expansion coefficient have a very small influence on the Li chemical diffusion coefficients. The low partial molar volume of LiCoO2 leads to this phenomenon. The anisotropic mechanical properties have a large influence on the magnitude of stress generation. Since the Young's modulus of LiCoO2 along the diffusion pathway (a–b axis) is higher than that along c–axis, the Li concentration gradient is larger along the diffusion pathway. Thus, for the same intercalation-induced strain, the stress generation will be higher (∼40%) than that with isotropic mechanical properties as discussed in our previous study (Wu, L., Zhang, Y., Jung, Y.-G., and Zhang, J., 2015, “Three-Dimensional Phase Field Based Finite Element Study on Li Intercalation-Induced Stress in Polycrystalline LiCoO2,” J. Power Sources, 299, pp. 57–65). This work demonstrates the importance to include anisotropic property in the model.
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Research-Article
Three-Dimensional Finite Element Study on Lithium Diffusion and Intercalation-Induced Stress in Polycrystalline LiCoO2 Using Anisotropic Material Properties
Linmin Wu
,
Linmin Wu
Department of Mechanical and
Energy Engineering,
Indiana University-Purdue University
Indianapolis,
Indianapolis, IN 46202
Energy Engineering,
Indiana University-Purdue University
Indianapolis,
Indianapolis, IN 46202
Search for other works by this author on:
Jing Zhang
Jing Zhang
Department of Mechanical and
Energy Engineering,
Indiana University-Purdue University
Indianapolis,
Indianapolis, IN 46202
e-mail: jz29@iupui.edu
Energy Engineering,
Indiana University-Purdue University
Indianapolis,
Indianapolis, IN 46202
e-mail: jz29@iupui.edu
Search for other works by this author on:
Linmin Wu
Department of Mechanical and
Energy Engineering,
Indiana University-Purdue University
Indianapolis,
Indianapolis, IN 46202
Energy Engineering,
Indiana University-Purdue University
Indianapolis,
Indianapolis, IN 46202
Jing Zhang
Department of Mechanical and
Energy Engineering,
Indiana University-Purdue University
Indianapolis,
Indianapolis, IN 46202
e-mail: jz29@iupui.edu
Energy Engineering,
Indiana University-Purdue University
Indianapolis,
Indianapolis, IN 46202
e-mail: jz29@iupui.edu
Manuscript received August 24, 2018; final manuscript received November 5, 2018; published online December 12, 2018. Assoc. Editor: Ying Sun.
1Corresponding author.
J. Electrochem. En. Conv. Stor. May 2019, 16(2): 021008 (5 pages)
Published Online: December 12, 2018
Article history
Received:
August 24, 2018
Revised:
November 5, 2018
Citation
Wu, L., and Zhang, J. (December 12, 2018). "Three-Dimensional Finite Element Study on Lithium Diffusion and Intercalation-Induced Stress in Polycrystalline LiCoO2 Using Anisotropic Material Properties." ASME. J. Electrochem. En. Conv. Stor. May 2019; 16(2): 021008. https://doi.org/10.1115/1.4041981
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