Ni coarsening in Ni-yttria stabilized zirconia electrodes: Three-dimensional quantitative phase-field simulations supported by ex-situ ptychographic nano-tomography

Shenglan Yang; Jianbao Gao; Martina Trini; Salvatore De Angelis; Peter Stanley Jørgensen; Jacob R. Bowen; Lijun Zhang; Ming Chen

doi:10.1016/j.actamat.2023.118708

Ni coarsening in Ni-yttria stabilized zirconia electrodes: Three-dimensional quantitative phase-field simulations supported by ex-situ ptychographic nano-tomography

Shenglan Yang, Jianbao Gao, Martina Trini, Salvatore De Angelis, Peter Stanley Jørgensen, Jacob R. Bowen, Lijun Zhang^*, Ming Chen^*

^*Corresponding author for this work

Department of Energy Conversion and Storage

Central South University

Research output: Contribution to journal › Journal article › Research › peer-review

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Abstract

In-depth understanding of nickel (Ni) coarsening is helpful for improving the service life of Ni-yttria stabilized zirconia (YSZ) electrodes in solid oxide cells. Unfortunately, very few quantitative experimental/theoretical descriptions of Ni coarsening in Ni-YSZ electrodes during long-term operation exist. In this paper, quantitative modeling of Ni coarsening in Ni-YSZ electrodes was achieved through three-dimensional (3D) phase-field simulation supported by ex-situ ptychographic nano-tomography and input of reliable thermophysical parameters. A pragmatic procedure was proposed to refine and verify the materials parameters for the simulations. Moreover, the microstructures of the Ni-YSZ electrode in the pristine and annealed states obtained via the ex-situ ptychographic nano-tomography were used as the initial input and experimental validation for the phase-field simulations. After that, comprehensive comparison between the simulated and the experimental 3D microstructures was conducted, indicating the successful quantitative phase-field simulation of Ni coarsening in Ni-YSZ electrodes presented here. The success of this work is expected to pave the way for accurate prediction of the service life and even design of high-performance Ni-YSZ electrodes.

Original language	English
Article number	118708
Journal	Acta Materialia
Volume	246
Number of pages	13
ISSN	1359-6454
DOIs	https://doi.org/10.1016/j.actamat.2023.118708
Publication status	Published - 2023

Bibliographical note

This work was supported by the project “Efficient Power2Gas Combining SOEC and Biomass Gasification” (EUDP no. 64017–0011). Shenglan Yang acknowledges the China Scholarship Council (CSC No: 201906370120). Lijun Zhang acknowledges the financial support from the Natural Science Foundation of Hunan Province for Distinguished Young Scholars (Grant No. 2021JJ10062).

Keywords

Ni coarsening
Ni-YSZ electrode
Phase-field modeling
Ex-situ ptychographic nano-tomography

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title = "Ni coarsening in Ni-yttria stabilized zirconia electrodes: Three-dimensional quantitative phase-field simulations supported by ex-situ ptychographic nano-tomography",

abstract = "In-depth understanding of nickel (Ni) coarsening is helpful for improving the service life of Ni-yttria stabilized zirconia (YSZ) electrodes in solid oxide cells. Unfortunately, very few quantitative experimental/theoretical descriptions of Ni coarsening in Ni-YSZ electrodes during long-term operation exist. In this paper, quantitative modeling of Ni coarsening in Ni-YSZ electrodes was achieved through three-dimensional (3D) phase-field simulation supported by ex-situ ptychographic nano-tomography and input of reliable thermophysical parameters. A pragmatic procedure was proposed to refine and verify the materials parameters for the simulations. Moreover, the microstructures of the Ni-YSZ electrode in the pristine and annealed states obtained via the ex-situ ptychographic nano-tomography were used as the initial input and experimental validation for the phase-field simulations. After that, comprehensive comparison between the simulated and the experimental 3D microstructures was conducted, indicating the successful quantitative phase-field simulation of Ni coarsening in Ni-YSZ electrodes presented here. The success of this work is expected to pave the way for accurate prediction of the service life and even design of high-performance Ni-YSZ electrodes.",

keywords = "Ni coarsening, Ni-YSZ electrode, Phase-field modeling, Ex-situ ptychographic nano-tomography",

author = "Shenglan Yang and Jianbao Gao and Martina Trini and {De Angelis}, Salvatore and J{\o}rgensen, {Peter Stanley} and Bowen, {Jacob R.} and Lijun Zhang and Ming Chen",

note = "This work was supported by the project “Efficient Power2Gas Combining SOEC and Biomass Gasification” (EUDP no. 64017–0011). Shenglan Yang acknowledges the China Scholarship Council (CSC No: 201906370120). Lijun Zhang acknowledges the financial support from the Natural Science Foundation of Hunan Province for Distinguished Young Scholars (Grant No. 2021JJ10062).",

year = "2023",

doi = "10.1016/j.actamat.2023.118708",

language = "English",

volume = "246",

journal = "Acta Materialia",

issn = "1359-6454",

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T2 - Three-dimensional quantitative phase-field simulations supported by ex-situ ptychographic nano-tomography

AU - Yang, Shenglan

AU - Gao, Jianbao

AU - Trini, Martina

AU - De Angelis, Salvatore

AU - Jørgensen, Peter Stanley

AU - Bowen, Jacob R.

AU - Zhang, Lijun

AU - Chen, Ming

N1 - This work was supported by the project “Efficient Power2Gas Combining SOEC and Biomass Gasification” (EUDP no. 64017–0011). Shenglan Yang acknowledges the China Scholarship Council (CSC No: 201906370120). Lijun Zhang acknowledges the financial support from the Natural Science Foundation of Hunan Province for Distinguished Young Scholars (Grant No. 2021JJ10062).

PY - 2023

Y1 - 2023

N2 - In-depth understanding of nickel (Ni) coarsening is helpful for improving the service life of Ni-yttria stabilized zirconia (YSZ) electrodes in solid oxide cells. Unfortunately, very few quantitative experimental/theoretical descriptions of Ni coarsening in Ni-YSZ electrodes during long-term operation exist. In this paper, quantitative modeling of Ni coarsening in Ni-YSZ electrodes was achieved through three-dimensional (3D) phase-field simulation supported by ex-situ ptychographic nano-tomography and input of reliable thermophysical parameters. A pragmatic procedure was proposed to refine and verify the materials parameters for the simulations. Moreover, the microstructures of the Ni-YSZ electrode in the pristine and annealed states obtained via the ex-situ ptychographic nano-tomography were used as the initial input and experimental validation for the phase-field simulations. After that, comprehensive comparison between the simulated and the experimental 3D microstructures was conducted, indicating the successful quantitative phase-field simulation of Ni coarsening in Ni-YSZ electrodes presented here. The success of this work is expected to pave the way for accurate prediction of the service life and even design of high-performance Ni-YSZ electrodes.

AB - In-depth understanding of nickel (Ni) coarsening is helpful for improving the service life of Ni-yttria stabilized zirconia (YSZ) electrodes in solid oxide cells. Unfortunately, very few quantitative experimental/theoretical descriptions of Ni coarsening in Ni-YSZ electrodes during long-term operation exist. In this paper, quantitative modeling of Ni coarsening in Ni-YSZ electrodes was achieved through three-dimensional (3D) phase-field simulation supported by ex-situ ptychographic nano-tomography and input of reliable thermophysical parameters. A pragmatic procedure was proposed to refine and verify the materials parameters for the simulations. Moreover, the microstructures of the Ni-YSZ electrode in the pristine and annealed states obtained via the ex-situ ptychographic nano-tomography were used as the initial input and experimental validation for the phase-field simulations. After that, comprehensive comparison between the simulated and the experimental 3D microstructures was conducted, indicating the successful quantitative phase-field simulation of Ni coarsening in Ni-YSZ electrodes presented here. The success of this work is expected to pave the way for accurate prediction of the service life and even design of high-performance Ni-YSZ electrodes.

KW - Ni coarsening

KW - Ni-YSZ electrode

KW - Phase-field modeling

KW - Ex-situ ptychographic nano-tomography

U2 - 10.1016/j.actamat.2023.118708

DO - 10.1016/j.actamat.2023.118708

M3 - Journal article

SN - 1359-6454

VL - 246

JO - Acta Materialia

JF - Acta Materialia

M1 - 118708

ER -

Ni coarsening in Ni-yttria stabilized zirconia electrodes: Three-dimensional quantitative phase-field simulations supported by ex-situ ptychographic nano-tomography

Abstract

Bibliographical note

Keywords

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