Scale effect and geometric shapes of grains

郭辉,; 郭兴明,

doi:10.1007/s10483-007-0201-1

Cited by 4 publications

(3 citation statements)

References 31 publications

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“…32,33 D polycrystal = fD GB + (1 − f ) D bulk Here f is the volume fraction of GBs in the Li anode, and D GB and D bulk are the self-diffusivities of the GB and bulk regions, respectively. The GB volume fraction, f , was calculated using the regular polygon model, 38 eqn (7), where w is the representative GB width at each temperature, and d is the grain size.…”

Section: Methodsmentioning

confidence: 99%

Exploiting grain boundary diffusion to minimize dendrite formation in lithium metal-solid state batteries

Yoon,

Sulaimon,

Siegel

2023

J. Mater. Chem. A

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Section: Methodsmentioning

confidence: 99%

Exploiting grain boundary diffusion to minimize dendrite formation in lithium metal-solid state batteries

Yoon,

Sulaimon,

Siegel

2023

J. Mater. Chem. A

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“…32,33 𝐷 𝑃𝑜𝑙𝑦𝑐𝑟𝑦𝑠𝑡𝑎𝑙 = 𝑓𝐷 𝐺𝐵 + (1 − 𝑓)𝐷 𝐵𝑢𝑙𝑘 (6) Here f is the volume fraction of GBs in the Li anode, and 𝐷 𝐺𝐵 and 𝐷 𝐵𝑢𝑙𝑘 are the self-diffusivities of the GB and bulk regions, respectively. The GB volume fraction, f, was calculated using the regular polygon model, 36 Equation 7, where w is the representative GB width at each temperature, and d is the grain size.…”

Section: Methodsmentioning

confidence: 99%

Exploiting Grain Boundary Diffusion to Minimize Dendrite Formation in Lithium Metal-Solid State Batteries

Yoon

Sulaimon

Siegel

2023

Preprint

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Maintaining interfacial contact between the Li metal anode and the solid electrolyte is a key challenge in developing Li metal-based solid-state batteries (LMSSB). At moderate discharge rates, relatively slower diffusion within the anode results in roughening and void formation in Li near this interface. The resulting reduction in interfacial contact focuses the Li-ion current during plating to a reduced number of contact points, generating high local current densities that nucleate dendrites. One approach to minimize void formation is to apply high stack pressure, which enhances plastic flow in the anode. Nevertheless, the use of pressure has drawbacks, as it facilitates fracture within the solid electrolyte. Here, an alternative strategy for minimizing void formation is described. Using a multiscale model, it is shown that targets for capacity and current density in LMSSBs can be achieved by reducing the grain size of Li, thereby exploiting fast grain boundary (GB) diffusion. Diffusion rates along a diverse sampling of 55 tilt and twist GBs in Li was predicted using molecular dynamics, and found to be 3 to 6 orders of magnitude faster than in the bulk. Using these atomic-scale data, a meso-scale model of Li depletion in the anode during discharge was developed. The model predicts that grain sizes of approximately 1 𝜇m are needed to meet performance targets for LMSSBs. As these grain sizes are two orders of magnitude smaller than those in common use, strategies for controlling grain size are discussed. In total, the model highlights the importance of the anode’s microstructure on the performance of LMSSBs.

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“…32,33 𝐷 789:;<:=>?9 = 𝑓𝐷 @A + (1 − 𝑓)𝐷 AB9C (6) Here f is the volume fraction of GBs in the Li anode, and 𝐷 /0 and 𝐷 01(2 are the self-diffusivities of the GB and bulk regions, respectively. The GB volume fraction, f, was calculated using the regular polygon model, 38 Equation 7, where w is the representative GB width at each temperature, and d is the grain size.…”

Section: Gb Diffusivity Gb Width Measurementmentioning

confidence: 99%

Exploiting Grain Boundary Diffusion to Minimize Dendrite Formation in Lithium Metal-Solid State Batteries

Yoon,

Sulaimon,

Siegel

2023

Preprint

View full text Add to dashboard Cite

Maintaining interfacial contact between the Li metal anode and the solid electrolyte is a key challenge in developing Li metal-based solid-state batteries (LMSSB). At moderate discharge rates, relatively slower diffusion within the anode results in roughening and void formation in Li near this interface. The resulting reduction in interfacial contact focuses the Li-ion current during plating to a reduced number of contact points, generating high local current densities that nucleate dendrites. One approach to minimize void formation is to apply high stack pressure, which enhances plastic flow in the anode. Nevertheless, the use of pressure has drawbacks, as it facilitates fracture within the solid electrolyte. Here, an alternative strategy for minimizing void formation is described. Using a multi-scale model, it is shown that targets for capacity and current density in LMSSBs can be achieved by reducing the grain size of Li to exploit fast grain boundary (GB) diffusion. Diffusion rates along a diverse sampling of 55 tilt and twist GBs in Li were predicted using molecular dynamics, and found to be 3 to 6 orders of magnitude faster than in the bulk. Using these atomic-scale data as input, a meso-scale model of Li depletion in the anode during discharge was developed. The model predicts that smaller, columnar grains are desirable, with grain sizes of approximately 1 μm or less needed to meet performance targets. As micron-sized grains are two orders of magnitude smaller than those in common use, strategies for controlling grain size are discussed. In total, the model highlights the importance of the anode’s microstructure on the performance of LMSSBs.

show abstract

Scale effect and geometric shapes of grains

Cited by 4 publications

References 31 publications

Exploiting grain boundary diffusion to minimize dendrite formation in lithium metal-solid state batteries

Exploiting grain boundary diffusion to minimize dendrite formation in lithium metal-solid state batteries

Exploiting Grain Boundary Diffusion to Minimize Dendrite Formation in Lithium Metal-Solid State Batteries

Exploiting Grain Boundary Diffusion to Minimize Dendrite Formation in Lithium Metal-Solid State Batteries

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