Towards the Validation of a Phase Field Model for Ni Coarsening in Solid Oxide Cells
Towards the Validation of a Phase Field Model for Ni Coarsening in Solid Oxide Cells
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DOI：
10.1016/j.actamat.2021.116887
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发表时间：
2021-04
期刊：
影响因子：
9.4
通讯作者：
M. Trini;S. D. Angelis;Peter Stanley Jørgensen;P. Hendriksen;Katsuyo Thornton;Ming Chen
中科院分区：
文献类型：
--
作者：
M. Trini;S. D. Angelis;Peter Stanley Jørgensen;P. Hendriksen;Katsuyo Thornton;Ming Chen
固体氧化物电池（SOC）的Ni/氧化钇稳定的氧化锆（YSZ）燃料电极中的Ni粗化是导致长期性能下降的主要原因。相场模拟是研究SOC燃料电极复杂三维结构中Ni粗化的有力工具。在这项工作中，我们提出了一项研究，旨在验证相场模型，比较模拟结果与时间相关的非原位层析数据。测试了三种平衡Ni/YSZ接触角：97°、120°和150°。模拟微观结构的特点是通过数量，如镍的平均半径，三相边界，和界面形状分布。相场模型再现了在断层扫描数据中观察到的Ni粗化的第一阶段中的改善的孔隙连通性。该模型还表明，接触角对Ni粗化过程中的微观结构演变起着关键作用，当平衡接触角为120º时，与实验结果最吻合，接近文献中的实测值。最后，讨论了该模型的局限性。
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.