Large-scale phase-field study of anisotropic grain growth: Effects of misorientation-dependent grain boundary energy and mobility

Miyoshi, Eisuke; Takaki, Tomohiro; Sakane, Shinji; Ohno, Munekazu; Shibuta, Yasushi; Aoki, Takayuki

doi:10.1016/j.commatsci.2020.109992

Cited by 36 publications

(18 citation statements)

References 75 publications

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“…Note that similar conclusions were presented in the first part of this work [22]. In [53,54,55,56], GB properties are defined as heterogeneous and not as anisotropic. The inclination dependency can have an important impact, hence, a complete description of the GB properties is necessary, i.e.…”

Section: Immersion Of Ebsd Datasupporting

confidence: 76%

“…Level-Set modeling of grain growth in 316L stainless steel under different assumptions regarding grain boundary properties 6.2 Current state of the modeling of 3D anisotropic grain growth A final question regarding the anisotropy of GB properties is still open: do the 3D description of GB properties can affect the microstructure evolution? Until now, most of the studies of GG in 3D have presented simulations of polycrystalline microstructures using different textures and a mathematical description of GB properties [53,54,55,56] or using data bases of GB energy [57,58]. The following conclusions are pointed out:…”

Section: Immersion Of Ebsd Datamentioning

confidence: 97%

“…• The effect of the heterogeneity is stronger when the material is textured or the disorientation transition between LAGBs and HAGBs, θ 0 , is high [58,55,56],…”

Section: Immersion Of Ebsd Datamentioning

confidence: 99%

“…the GB inclination is measured in the sample plane, and GB properties are simplified. Finally, regarding the study of GG in 3D, one frequently finds heterogeneous GB properties based on mathematical descriptors of GB properties [53,54,55,56] or based on databases of GB energy values [57,58]. Based on this, two open questions arise: can GB properties be described in 2D using the classical Read-Shockley [59] and Sigmoidal [60] model?…”

Section: Introductionmentioning

confidence: 99%

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Level-Set modeling of grain growth in 316L stainless steel under different assumptions regarding grain boundary properties

Murgas,

Flipon,

Bozzolo

et al. 2022

Preprint

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Two finite element level-set (FE-LS) formulations are compared for the modeling of grain growth of 316L stainless steel in terms of grain size, mean values and histograms. Two kinds of microstructures are considered, some are generated statistically from EBSD maps and the others are generated by immersion of EBSD data in the FE formulation. Grain boundary (GB) mobility is heterogeneously defined as a function of the GB disorientation. On the other hand, GB energy is considered as heterogeneous or anisotropic, respectively defined as a function of the disorientation and both the GB misorientation and the GB inclination. In terms of mean grain size value and grain size distribution (GSD), both formulations provide similar responses. However, the anisotropic formulation better respects the experimental disorientation distribution function (DDF) and predicts more realistic grain morphologies. It was also found that the heterogeneous GB mobility described with a sigmoidal function only affects the DDF and the morphology of grains. Thus, a slower evolution of twin boundaries (TBs) is perceived.

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Section: Immersion Of Ebsd Datasupporting

confidence: 76%

Section: Immersion Of Ebsd Datamentioning

confidence: 97%

“…• The effect of the heterogeneity is stronger when the material is textured or the disorientation transition between LAGBs and HAGBs, θ 0 , is high [58,55,56],…”

Section: Immersion Of Ebsd Datamentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Level-Set modeling of grain growth in 316L stainless steel under different assumptions regarding grain boundary properties

Murgas,

Flipon,

Bozzolo

et al. 2022

Preprint

View full text Add to dashboard Cite

show abstract

“…For perspective, a phase-field simulation might have 10 000 or more time steps with thousands of GBs Kim et al [68], Dimokrati et al [76]. Recently, Miyoshi et al [77] presented Reed-Shockley anisotropic 3D phasefield grain growth results for initially 3 125 000 grains with as many as 125 000 time steps to reach ∼10 000 final grains. Performing such a simulation with even the efficient VFZO framework would require 56 CPU years for the property sampling alone 20 .…”

Section: Symmetrization Runtime Comparison Withmentioning

confidence: 99%

Five Degree-of-Freedom Property Interpolation of Arbitrary Grain Boundaries via Voronoi Fundamental Zone Octonion Framework

Baird,

Homer,

Fullwood

et al. 2021

Preprint

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In this work we introduce the Voronoi fundamental zone octonion (VFZO) interpolation framework for grain boundary (GB) structure-property models and surrogates. The VFZO framework offers an advantage over other five degree-of-freedom (5DOF) based property interpolation methods because it is constructed as a point set in a manifold. This means that directly computed Euclidean distances approximate the original octonion distance with significantly reduced computation runtime (∼7 CPU minutes vs. 153 CPU days for a 50 000 × 50 000 pairwise-distance matrix). This increased efficiency facilitates lower interpolation error through the use of significantly more input data. We demonstrate grain boundary energy (GBE) interpolation results for a non-smooth validation function and simulated bi-crystal datasets for Fe and Ni using four interpolation methods: barycentric interpolation, Gaussian process regression (GPR) or Kriging, inverse-distance weighting (IDW), and nearest neighbor (NN) interpolation. These are evaluated for 50 000 random input GBs and 10 000 random prediction GBs. The best performance was achieved with GPR, which resulted in a reduction of the root mean square error (RMSE) by 83.0% relative to RMSE of a constant, average model. Likewise, interpolation on a large, noisy, molecular statics (MS) Fe simulation dataset improves performance by 34.4 % compared to 21.2 % in prior work. Interpolation on a small, low-noise MS Ni simulation dataset is similar to interpolation results for the original octonion metric (57.6 % vs. 56.4 %). A vectorized, parallelized, MATLAB interpolation function (interp5DOF.m) and related routines are available in our VFZO repository (gi thub.com/sgbaird-5dof/interp) which can be applied to other crystallographic point groups. The VFZO framework offers advantages for computing distances between GBs, estimating property values for arbitrary GBs, and modeling surrogates of computationally expensive 5DOF functions and simulations.

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Revisiting the Dielectric Breakdown in a Polycrystalline Ferroelectric: A Phase‐Field Simulation Study

Khondabi

Ahmadvand

Javanbakht

2022

Advcd Theory and Sims

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To understand the dielectric breakdown in a polycrystalline ferroelectric, a thorough phase field simulation has been performed by introducing a new degradation function. Time and position evolution of breakdown path, electric field dependence of breakdown time, and the effect of several parameters such as grain orientation, dielectric constant of grain and grain‐boundaries (GBs), thickness of GBs (dGB${d}_{\text{GB}}$), and grain size (Gnormala${G}_{\text{a}}$) on the threshold breakdown electric field, EBT${E}_{\text{BT}}$, are investigated. The results indicate that EBT${E}_{\text{BT}}$ is improved with decreasing dielectric constant. The dependence of EBT${E}_{\text{BT}}$ on grain size and GB's thickness obeys a power function Gnormala−n${G}_{\text{a}}^{-n}$ (n=0.42$n=0.42$) and dGBn${d}_{\text{GB}}^{n}$ (n=0.3$n=0.3$), respectively. The results help to engineer the grains and GBs properties and achieve a high breakdown electric field, which is very important in energy‐storage applications.

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Large-scale phase-field study of anisotropic grain growth: Effects of misorientation-dependent grain boundary energy and mobility

Cited by 36 publications

References 75 publications

Level-Set modeling of grain growth in 316L stainless steel under different assumptions regarding grain boundary properties

Level-Set modeling of grain growth in 316L stainless steel under different assumptions regarding grain boundary properties

Five Degree-of-Freedom Property Interpolation of Arbitrary Grain Boundaries via Voronoi Fundamental Zone Octonion Framework

Revisiting the Dielectric Breakdown in a Polycrystalline Ferroelectric: A Phase‐Field Simulation Study

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