Numerical study of grain boundary effect on Li+ effective diffusivity and intercalation-induced stresses in Li-ion battery active materials

Han, Sangwoo; Park, Jong‐Hyun; Lu, Wei; Sastry, Ann Marie

doi:10.1016/j.jpowsour.2013.03.135

Cited by 84 publications

(63 citation statements)

References 63 publications

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“…3 (d) that the hoop stress increases stepwise at both inner and outer surfaces with increasing diffusion time. Similarly, the inner part experiences compressive hoop stress, which is different from previous calculations [13,14]. This difference implies that the higher concentration Li-ion near the inner surface can suppress crack nucleation since the maximum tensile stress can not exceed the critical fracture strength.…”

Section: Distribution Of Stress In the Elastic Deformationcontrasting

confidence: 62%

“…Due to atomic diffusion in solids is much slower process than elastic deformation, and mechanical equilibrium is established much faster than that of diffusion [13,14].…”

Section: Elastic Regionmentioning

confidence: 99%

“…For example, Zhang et al [10], Zhao et al [11], Bhandakkar and Gao [12], and Cheng et al [13] studied the evolution of concentration and stresses considering the size and surface effects under charging and discharging conditions when the system thermodynamics are ideal, and proposed some criteria for avoiding crack initiation of electrode particles. Han et al [14] demonstrated Li-ion effective diffusivity due to grain boundary, which affects the distribution of diffusion induced stress during solute insertion and extraction. Recently, Wei et al [15] and Li et al [16,17] took into account the dislocation mechanics on diffusion induced stress in a spherical and cylindrical electrode.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Investigation into diffusion induced plastic deformation behavior in hollow lithium ion battery electrode revealed by analytical model and atomistic simulation

Li¹,

Fang²,

Wu³

et al. 2015

Electrochimica Acta

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Section: Distribution Of Stress In the Elastic Deformationcontrasting

confidence: 62%

“…Due to atomic diffusion in solids is much slower process than elastic deformation, and mechanical equilibrium is established much faster than that of diffusion [13,14].…”

Section: Elastic Regionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Investigation into diffusion induced plastic deformation behavior in hollow lithium ion battery electrode revealed by analytical model and atomistic simulation

Li¹,

Fang²,

Wu³

et al. 2015

Electrochimica Acta

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“…The volume of the simulated polycrystalline LiCoO2 is 12.8×12.8 ×12.8 μm 3 . According to reference [8], the average grain size of LiCoO2 is between 0.5 μm to 5…”

Section: 1mentioning

confidence: 99%

“…Thus, actual reaction kinetics and diffusion processes were simplified greatly, since the grain boundary and anisotropic diffusion processes were not taken into account. Recently, Han et al [8] studied the grain boundary effect on Li effective diffusivity and intercalation stress of LiMn2O4. In their model, grain orientation was not considered, and each grain was simplified as Voronoi structure.…”

Section: Introductionmentioning

confidence: 99%

Three-dimensional phase field based finite element study on Li intercalation-induced stress in polycrystalline LiCoO2

Zhang

Jung

et al. 2015

Journal of Power Sources

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In this study, the stress generation of LiCoO2 with realistic 3D microstructures has been studied systematically. Phase field method was employed to generate the 3D microstructures with different grain sizes. The effects of grain size, grain crystallographic orientation, and grain boundary diffusivity on chemical diffusion coefficient and stress generation were studied using finite element method. The calculated chemical diffusion coefficient is about in the range of 8.5×10 -10 cm 2 /s to 3.6×10 -9 cm 2 /s. Stresses increase with the increase of grain size, due to more accumulation of Li ion near the grain boundary regions in larger grain size systems, which causes a larger concentration gradient. Failure is more likely to occur in large grain systems. The chemical diffusion coefficients increase with increasing grain orientation angle irrespective of grain boundary diffusivity, due to alignment of global Li ion diffusion path with high grain orientations. Grain boundary diffusivity has opposite effect on the hydrostatic stress. As small grain boundary diffusivity, the stress increases with increasing grain orientation angle, due to

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Air‐Stable Li_xAl Foil as Free‐Standing Electrode with Improved Electrochemical Ductility by Shot‐Peening Treatment

Fan

et al. 2021

Adv Funct Materials

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A self-supporting Al foil anode should be attractive to the lithium-ion battery (LIB) industry. However, initial attempts at using thin Al foil directly as a LIB anode ends up with extremely large initial Coulombic inefficiency and gross mechanical failures in just a few cycles. This feels incongruent with the expectation that face-centered cubic Al should have good ductility. In this study, the discrepancy between "electrochemical ductility" and "mechanical ductility" is explained. Unlike "mechanical ductility" based on dislocation slip inside each grain, here it is proposed that "electrochemical ductility" of such high-capacity alloy foil electrodes should be related to grain boundaries (GB) activities. It is found that after reducing the grain size D > 50 µm of the starting Al foil by shot-peening treatment, higher GB density (e.g., smaller initial grain size D < 20 µm) greatly alleviates the initial porosity damage after the roll-to-roll mechanical prelithiation and significantly improves electrochemical ductility thereafter, with enhanced cycle life in various kinds of full cells. Li x Al foil also demonstrates surprising air stability with negligible capacity loss even after several hours' exposure to air. Such thin prelithiated metallic foil anodes are therefore highly competitive against pure Li metal foils.

show abstract

Numerical study of grain boundary effect on Li+ effective diffusivity and intercalation-induced stresses in Li-ion battery active materials

Cited by 84 publications

References 63 publications

Investigation into diffusion induced plastic deformation behavior in hollow lithium ion battery electrode revealed by analytical model and atomistic simulation

Investigation into diffusion induced plastic deformation behavior in hollow lithium ion battery electrode revealed by analytical model and atomistic simulation

Three-dimensional phase field based finite element study on Li intercalation-induced stress in polycrystalline LiCoO2

Air‐Stable Li_xAl Foil as Free‐Standing Electrode with Improved Electrochemical Ductility by Shot‐Peening Treatment

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Numerical study of grain boundary effect on Li+ effective diffusivity and intercalation-induced stresses in Li-ion battery active materials

Cited by 84 publications

References 63 publications

Investigation into diffusion induced plastic deformation behavior in hollow lithium ion battery electrode revealed by analytical model and atomistic simulation

Investigation into diffusion induced plastic deformation behavior in hollow lithium ion battery electrode revealed by analytical model and atomistic simulation

Three-dimensional phase field based finite element study on Li intercalation-induced stress in polycrystalline LiCoO2

Air‐Stable LixAl Foil as Free‐Standing Electrode with Improved Electrochemical Ductility by Shot‐Peening Treatment

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Product

Resources

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Air‐Stable Li_xAl Foil as Free‐Standing Electrode with Improved Electrochemical Ductility by Shot‐Peening Treatment