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Title: Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes

Abstract

Microstructure evolution plays an important role in the performance degradation of SOFC electrodes. In this work, we propose a much improved phase field model to simulate the microstructure evolution in the electrodes of solid oxide fuel cell. We demonstrate that the tunability of the interfacial energy in this model has been significantly enhanced. Parameters are set to fit for the interfacial energies of a typical Ni-YSZ anode, an LSM-YSZ cathode and an artificial reference electrode, respectively. The contact angles at various triple junctions and the microstructure evolutions in two dimensions are calibrated to verify the model. As a demonstration of the capabilities of the model, three dimensional microstructure evolutions are simulated applying the model to the three different electrodes. The time evolutions of grain size and triple phase boundary density are analyzed. In addition, a recently proposed bound charge successive approximation algorithm is employed to calculate the effective conductivity of the electrodes during microstructure evolution. Furthermore, the effective conductivity of all electrodes are found to decrease during the microstructure evolution, which is attributed to the increased tortuosity and the loss of percolated volume fraction of the electrode phase.

Authors:
ORCiD logo [1];  [2];  [1]
  1. National Energy Technology Lab., Albany, OR (United States)
  2. National Energy Technology Lab., Albany, OR (United States); AECOM, Albany, OR (United States)
Publication Date:
Research Org.:
National Energy Technology Lab. (NETL), Albany, OR (United States); Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Fossil Energy (FE)
OSTI Identifier:
1343950
Alternate Identifier(s):
OSTI ID: 1415678
Report Number(s):
NETL-PUB 20806
Journal ID: ISSN 0378-7753
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Power Sources
Additional Journal Information:
Journal Volume: 345; Journal Issue: C; Journal ID: ISSN 0378-7753
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
30 DIRECT ENERGY CONVERSION; SOFC; microstructure evolution; phase-field simulation; enhanced interfacial energy tunability; effective conductivity; BCSA algorithm

Citation Formats

Lei, Yinkai, Cheng, Tian -Le, and Wen, You -Hai. Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes. United States: N. p., 2017. Web. doi:10.1016/j.jpowsour.2017.02.007.
Lei, Yinkai, Cheng, Tian -Le, & Wen, You -Hai. Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes. United States. doi:10.1016/j.jpowsour.2017.02.007.
Lei, Yinkai, Cheng, Tian -Le, and Wen, You -Hai. Mon . "Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes". United States. doi:10.1016/j.jpowsour.2017.02.007. https://www.osti.gov/servlets/purl/1343950.
@article{osti_1343950,
title = {Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes},
author = {Lei, Yinkai and Cheng, Tian -Le and Wen, You -Hai},
abstractNote = {Microstructure evolution plays an important role in the performance degradation of SOFC electrodes. In this work, we propose a much improved phase field model to simulate the microstructure evolution in the electrodes of solid oxide fuel cell. We demonstrate that the tunability of the interfacial energy in this model has been significantly enhanced. Parameters are set to fit for the interfacial energies of a typical Ni-YSZ anode, an LSM-YSZ cathode and an artificial reference electrode, respectively. The contact angles at various triple junctions and the microstructure evolutions in two dimensions are calibrated to verify the model. As a demonstration of the capabilities of the model, three dimensional microstructure evolutions are simulated applying the model to the three different electrodes. The time evolutions of grain size and triple phase boundary density are analyzed. In addition, a recently proposed bound charge successive approximation algorithm is employed to calculate the effective conductivity of the electrodes during microstructure evolution. Furthermore, the effective conductivity of all electrodes are found to decrease during the microstructure evolution, which is attributed to the increased tortuosity and the loss of percolated volume fraction of the electrode phase.},
doi = {10.1016/j.jpowsour.2017.02.007},
journal = {Journal of Power Sources},
number = C,
volume = 345,
place = {United States},
year = {Mon Feb 13 00:00:00 EST 2017},
month = {Mon Feb 13 00:00:00 EST 2017}
}

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