Effect of powder morphology on the microstructural characteristics of La0.6Sr0.4Co0.2Fe0.8O3 cathode: A Kinetic Monte Carlo investigation

Yan, Zilin; Hara, Shotaro; Shikazono, Naoki

doi:10.1016/j.ijhydene.2017.03.136

Cited by 30 publications

(16 citation statements)

References 70 publications

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“…DEM has been commonly applied to reconstruct the electrodes as random structures consisting of ionic and electronic conductive particles [49]. DEM is an effective approach to optimize the morphology of electrodes and to bridge the gap between the microstructure at a particle scale and macroscopic electrode performances.…”

Section: Morphology-reconstruction Approachmentioning

confidence: 99%

“…The finite element method was applied to characterize the mechanical and thermal properties of the reconstructed electrode. Yan et al [49] proposed a model to study the role of powder morphology in affecting the final microstructure of LSCF. DEM was used to simulate the powder packing, while the output of the DEM (numerical structural samples with different particle morphologies) can be obtained, which acted as inputs of KMC to simulate the powder sintering (shown in Figure 5).…”

Section: Morphology-reconstruction Approachmentioning

confidence: 99%

Section: Morphology-reconstruction Approachmentioning

confidence: 99%

See 2 more Smart Citations

Advancing the multiscale understanding on solid oxide electrolysis cells via modelling approaches: A review

Zhang

et al. 2021

Renewable and Sustainable Energy Reviews

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Section: Morphology-reconstruction Approachmentioning

confidence: 99%

Section: Morphology-reconstruction Approachmentioning

confidence: 99%

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Advancing the multiscale understanding on solid oxide electrolysis cells via modelling approaches: A review

Zhang

et al. 2021

Renewable and Sustainable Energy Reviews

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“…The sintering behavior as a function of the aspect ratio of the powder particles has been studied, with the finding that higher aspect ratio particles sinter to a higher density. 18 An analytical model based on Coble's two-sphere model 19 for the sintering of two ellipsoidal bodies (as well as polyhedral bodies) has also been derived. 20 Here, it was found that BaTiO 3 grains as observed using SEM could be approximated by ellipsoids of different sizes and orientations and that the model could be used to provide a good correlation between structural/geometrical and kinetics/physical parameters for this material.…”

Section: Introductionmentioning

confidence: 99%

The sintering behavior of ellipsoidal particles

Bjørk

2022

J Am Ceram Soc.

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The sintering behavior of ellipsoidally shaped particles, particularly spheroids, was studied using a numerical kinetic Monte Carlo model for solid-state sintering. Compact packings of spheroids with five different aspect ratios from 0.5 to 2.0, thus comprising oblate, spherical, and prolate particles, were generated by simulating the pouring of such particles into a cubic container. For each spheroid particle aspect ratio, five different packings were generated to provide statistics on the sintering properties. The sintering behavior was quantified by the densification rate, relative density, anisotropic strain, grain size, and grain coordination number, as determined from the kinetic Monte Carlo model. The spherical particles were found to sinter to a relative density of 0.87 before grain growth occurs, whereas the oblate and prolate particles reach a relative density of 0.91 before grain growth sets in, with the prolate particles sintering slightly better compared to oblate particles. The more extreme the particle aspect ratio, the more anisotropic the strain is. Finally, the oblate and prolate spheroids have a slightly higher mean grain coordination number and a slightly higher initial relative density compared to the spherical particles.

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“…In the literature, an analysis and simulation method of sintering kinetics and microstructure changes mostly stays at a mesoscale level, about 10 −6 m for the synthesis process of the SOFC electrodes [6], and for modeling of the catalytic layer and gas diffusion layer [7]. This kind of modeling method includes, for instance, the Discrete Element Method [8,9], Kinetic Monte Carlo [10,11], Lattice Boltzmann method [12], etc.…”

Section: Introductionmentioning

confidence: 99%

Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method

et al. 2020

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During development of substitute anode materials suitable for solid oxide fuel cell (SOFC), understanding of sintering mechanisms and effects is significant for synthesized porous structures and performance. A molecular dynamics (MD) model is developed and applied in this study for the SOFC anode sintered materials to reveal the sintering condition effects. It is predicted that, for the case of two nanoparticles of electron-conducting La-doped SrTiO3 (LST), the higher the sintering temperature, the faster the aggregation of nanoparticles and the higher the sintering degree. An increase in the nanoparticle size could delay the sintering, process but does not affect the final sintering degree. The MD model is further applied for the case of the multi-nanoparticles containing LST and ion-conducting electrolyte materials of gadolinium-doped ceria (GDC), i.e., the LST-GDC particles. The sintering conditions and effects on the LST-GDC particles are evaluated, in terms of the mean square displacement (MSD) and various structural parameters. Two important thermal properties are also calculated that agree well with the experimental values. The findings obtained from this study are useful to identify the optimized sintering parameters for development of the SOFC electrode materials.

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Effect of powder morphology on the microstructural characteristics of La0.6Sr0.4Co0.2Fe0.8O3 cathode: A Kinetic Monte Carlo investigation

Cited by 30 publications

References 70 publications

Advancing the multiscale understanding on solid oxide electrolysis cells via modelling approaches: A review

Advancing the multiscale understanding on solid oxide electrolysis cells via modelling approaches: A review

The sintering behavior of ellipsoidal particles

Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method

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