Modelling texture dependent grain growth by 2D Potts model simulations: A detailed analysis

Zöllner, Dana

doi:10.1016/j.commatsci.2018.08.044

Cited by 17 publications

(13 citation statements)

References 58 publications

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“…The average grain sizes are quasi identical for the two different locations. In addition,

⟨ A ⟩

increases as a linear function of time with a slope of 0.645 up to

t \approx 150

in growth regime I, which is clearly smaller than the 2D value of 1.1198 . At this point the slope is reduced drastically within a short time period down to 0.203, while keeping the linear relation between

⟨ A ⟩

and t valid in growth regime II.…”

Section: Resultsmentioning

confidence: 80%

“…In a recent publication on the influence of texture on 2D grain growth it has been shown that a low percentage of low angle grain boundaries yields results in agreement with normal grain growth predictions, whereas large percentages yield clear deviations . Hence, the question arises how strong is the influence of low angle boundaries on the coarsening kinetics—a question that will be addressed in the following by a systematic variation of the cut‐off for low angle grain boundaries,

θ^{*}

.…”

Section: Resultsmentioning

confidence: 96%

“…The grain boundaries are defined implicitly, that is, between two neighboring lattice points of unlike orientation. The standard implementation contains only two material parameters, namely the grain boundary mobility, m , and the grain boundary energy, γ . In general, the specific mobilities and energies of the boundaries may underlie substantial variations caused by changes in their chemical composition.…”

Section: Methodsmentioning

confidence: 99%

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Texture Controlled Grain Growth in Thin Films Studied by 3D Potts Model

Zöllner

2019

Advcd Theory and Sims

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Thin films have numerous applications in optics, mechanics, and electricity, where the grain microstructure and the corresponding crystallography are key factors influencing materials properties as well as coarsening kinetics. However, even today this problem is often tackled by 2D means of treating thin films as quasi-2D objects. In the present work, it is shown by modified 3D Potts model simulations that not only is the third dimension non-negligible, but also how texture changes the growth kinetics, when the percentage of low angle grain boundaries varies systematically.

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“…The average grain sizes are quasi identical for the two different locations. In addition,

⟨ A ⟩

increases as a linear function of time with a slope of 0.645 up to

t \approx 150

⟨ A ⟩

and t valid in growth regime II.…”

Section: Resultsmentioning

confidence: 80%

θ^{*}

.…”

Section: Resultsmentioning

confidence: 96%

Section: Methodsmentioning

confidence: 99%

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Texture Controlled Grain Growth in Thin Films Studied by 3D Potts Model

Zöllner

2019

Advcd Theory and Sims

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“…(8) and (9) are the same when come to predict the relationship between cell growth rate and edge number. A recent study suggested that the simulated values of /3 were ranged from 1.0036 to 1.0290, which matched very well with the theoretical value of /3 (Zöllner & Zlotnikov 2018). The average / of shells and soap was about 1.1 (Xu 2019), then the average value of 1 + /( ) agreed well with the /3.…”

Section: Global Parameters Local Parameterssupporting

confidence: 68%

“…The Eq. (8) is generally used to describe the cell growth kinetics of Type II 2D structures, such as, soap, mollusc shells (Zöllner & Zlotnikov 2018). This equation suggests that the area of cells with more than six edges increase, while cells with fewer than six edges shrink and cells with six edges are stable.…”

Section: Global Parameters Local Parametersmentioning

confidence: 99%

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Supplemental Information 1: Raw Data

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The two-dimensional (2D) Lewis's law and Aboav-Weaire's law are two simple formulas derived from empirical observations. Numerous attempts have been made to improve the empirical formulas. In this study, we simulated a series of Voronoi diagrams by randomly disordered the seed locations of a regular hexagonal 2D Voronoi diagram, and analyzed the cell topology based on ellipse packing. Then, we derived and verified the improved formulas for Lewis's law and Aboav-Weaire's law. Specifically, we found that the upper limit of the second moment of edge number is 3. In addition, we derived the geometric formula of the von Neumann-Mullins's law based on the new formula of the Aboav-Weaire's law. Our results suggested that the cell area, local neighbor relationship, and cell growth rate are closely linked to each other, and mainly shaped by the effect of deformation from circle to ellipse and less influenced by the global edge distribution.

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Microstructure of Lithium Metal Electrodeposited at the Steel|Li₆PS₅Cl Interface in “Anode‐Free” Solid‐State Batteries

Becker,

Fuchs,

Ortmann

et al. 2024

Advanced Energy Materials

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Recent research shows that integrating lithium metal anodes can enhance battery energy density, but the high reactivity of lithium requires handling under inert conditions to avoid degradation. To overcome this, reservoir‐free cells (RFCs) are explored, where lithium metal is electrodeposited at the current collector (CC) and solid electrolyte (SE) interface during initial charging. The electrochemical properties of electrodeposited lithium are influenced by its morphology and microstructure, which impact lithium discharge capacity and pore formation. However, little is known about how to control the microstructure of electrodeposited lithium. This work experimentally characterizes the lithium microstructure at the steel|Li6PS5Cl interface using cryogenic ion beam milling, scanning electron microscopy (SEM), and electron backscatter diffraction (EBSD), focusing on the effects of electrodeposition current density and lithium layer thickness. The results show that layer thickness, not current density, primarily governs the lithium microstructure. This “specimen thickness effect” is qualitatively described using a Monte Carlo Potts model and indicates that electrodeposited lithium metal quickly equilibrates at room temperature.

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Modelling texture dependent grain growth by 2D Potts model simulations: A detailed analysis

Cited by 17 publications

References 58 publications

Texture Controlled Grain Growth in Thin Films Studied by 3D Potts Model

Texture Controlled Grain Growth in Thin Films Studied by 3D Potts Model

Untitled

Microstructure of Lithium Metal Electrodeposited at the Steel|Li₆PS₅Cl Interface in “Anode‐Free” Solid‐State Batteries

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Modelling texture dependent grain growth by 2D Potts model simulations: A detailed analysis

Cited by 17 publications

References 58 publications

Texture Controlled Grain Growth in Thin Films Studied by 3D Potts Model

Texture Controlled Grain Growth in Thin Films Studied by 3D Potts Model

Untitled

Microstructure of Lithium Metal Electrodeposited at the Steel|Li6PS5Cl Interface in “Anode‐Free” Solid‐State Batteries

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Microstructure of Lithium Metal Electrodeposited at the Steel|Li₆PS₅Cl Interface in “Anode‐Free” Solid‐State Batteries