Towards a realistic prediction of sintering of solid oxide fuel cell electrodes: From tomography to discrete element and kinetic Monte Carlo simulations

SCRIPTA MATERIALIA

卷:146

Article

Yan, Z.¹  Hara, S.²  Shikazono, N.¹ 

[1] Univ Tokyo, Inst Ind Sci, Meguro Ku, Komaba 4-6-1, Tokyo 1538505, Japan

[2] Chiba Inst Technol, Fac Engn, Dept Mech Engn, Tsudanuma 2-17-1, Narashino, Chiba 2750016, Japan

关键词: Sintering;    Discrete element method;    Kinetic Monte Carlo;    Microstructure evolution;    Solid oxide fuel cells;   

DOI  :  10.1016/j.scriptamat.2017.10.035

来源: Elsevier

【 摘 要 】

The 3-dimensional (3D) particle geometries in sub-micrometric La0.6Sr0.4Co0.2Fe0.8O3-delta powder are obtained by high-resolution focused ion beam scanning electron microscope (FIB-SEM) tomography. Irregularly shaped particles are represented with volume equivalent single spheres (single-sphere model) or clumped multispheres (multi-sphere model), based on their 3D geometries. The discrete element method (DEM) is used to reproduce virtual powder packings with multi-sphere and single-sphere models. The DEM-generated virtual microstructures and the FIB-SEM real microstructures are submitted to kinetic Monte Carlo (KMC) simulations of sintering. It is shown that the multi-sphere model predicts more realistic microstructure than the single-sphere model for sintering of La0.65Sr0.4CO0.2Fe0.8O3-delta. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

【 授权许可】

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