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Journal article

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

From

Fondazione Bruno Kessler1

Paul Scherrer Institute2

Continuum Modelling and Testing, Department of Energy Conversion and Storage, Technical University of Denmark3

Department of Energy Conversion and Storage, Technical University of Denmark4

Solid State Chemistry, Department of Energy Conversion and Storage, Technical University of Denmark5

University of Michigan6

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°, 120°, and 150°. 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 120º, close to a measured value in literature. Finally, the limitations of the model are discussed.

Language: English
Year: 2021
Pages: 116887
ISSN: 18732453 and 13596454
Types: Journal article
DOI: 10.1016/j.actamat.2021.116887
ORCIDs: 0000-0002-1227-5293 , Chen, Ming , Jørgensen, Peter Stanley and Hendriksen, Peter Vang

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