4.7 Article

Towards the Validation of a Phase Field Model for Ni Coarsening in Solid Oxide Cells

Journal

ACTA MATERIALIA
Volume 212, Issue -, Pages -

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2021.116887

Keywords

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Funding

  1. project Synfuel from the Innovation Fund Denmark [4106-00006B]
  2. allianCe for ImagiNg of Energy MAterials DSF via The Danish Council for Strategic Research [1305-0032B]
  3. United States National Science Foundation, Division of Material Research, Ceramics Program [DMR-1506055, DMR-1912151]

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This study validates the role of contact angle on microstructural evolution during Ni coarsening using a phase-field model, with an equilibrium contact angle of 120 degrees showing the best match to experimental results.
Ni coarsening in the Ni/yttria-stabilized zirconia (YSZ) fuel electrode of solid oxide cells (SOCs) is a major cause of long-term performance degradation. Phase-field modeling is a powerful tool for studying Ni coarsening in the complex 3D structures of SOC fuel electrodes. In this work, we present a study aimed at validating a phase-field model, comparing simulation results with time-dependent ex-situ tomographic data. Three equilibrium Ni/YSZ contact angles are examined: 97 degrees, 120 degrees, and 150 degrees. Simulated microstructures are characterized through quantities such as the Ni mean radius, triple-phase boundaries, and interface shape distribution. The phase-field model reproduces the improved pore connectivity in the first stage of Ni coarsening observed in the tomography data. This model also indicates that the contact angle plays a key role in the microstructural evolution during Ni coarsening, and the best match to the experiment was obtained with the equilibrium contact angle of 120 degrees, close to a measured value in literature. Finally, the limitations of the model are discussed. (C) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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