Molecular dynamics study for sintering characteristics of solid oxide fuel cell anode

K. Nakao; H. Kohno; T. Ishimoto; M. Koyama

doi:10.1149/05030.0001ecst

Molecular dynamics study for sintering characteristics of solid oxide fuel cell anode

K. Nakao, H. Kohno, T. Ishimoto, M. Koyama

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

3 Citations (Scopus)

Abstract

The prediction of long-term durability of SOFC anode is important to understand the sintering phenomena in the anode, which are affected by microstructure, materials, and impurities. To understand the sintering phenomena considering the effects of materials and chemical species, molecular dynamics (MD) simulation is one of the most effective computational methods. In this study, we developed a theoretical methodology based on the master sintering curve to analyze the sintering property. We performed MD simulation for the densification of both Ni and YSZ porous structures. The sintering activation energy obtained from our proposed method was in reasonable agreement with the experimental result.

Original language	English
Title of host publication	Materials Degradation in Energy Systems
Subtitle of host publication	Corrosion and Hydrogen-Material Interactions
Publisher	Electrochemical Society Inc.
Pages	1-9
Number of pages	9
Edition	30
ISBN (Print)	9781607684183
DOIs	https://doi.org/10.1149/05030.0001ecst
Publication status	Published - 2013
Event	Symposium on Materials Degradation in Energy Systems: Corrosion and Hydrogen-Material Interactions - 22nd ECS Meeting/PRiME 2012 - Honolulu, HI, United States Duration: Oct 7 2012 → Oct 12 2012

Publication series

Name	ECS Transactions
Number	30
Volume	50
ISSN (Print)	1938-5862
ISSN (Electronic)	1938-6737

Other

Other	Symposium on Materials Degradation in Energy Systems: Corrosion and Hydrogen-Material Interactions - 22nd ECS Meeting/PRiME 2012
Country/Territory	United States
City	Honolulu, HI
Period	10/7/12 → 10/12/12

All Science Journal Classification (ASJC) codes

Engineering(all)

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10.1149/05030.0001ecst

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Molecular dynamics study for sintering characteristics of solid oxide fuel cell anode. / Nakao, K.; Kohno, H.; Ishimoto, T. et al.
Materials Degradation in Energy Systems: Corrosion and Hydrogen-Material Interactions. 30. ed. Electrochemical Society Inc., 2013. p. 1-9 (ECS Transactions; Vol. 50, No. 30).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Nakao, K, Kohno, H, Ishimoto, T & Koyama, M 2013, Molecular dynamics study for sintering characteristics of solid oxide fuel cell anode. in Materials Degradation in Energy Systems: Corrosion and Hydrogen-Material Interactions. 30 edn, ECS Transactions, no. 30, vol. 50, Electrochemical Society Inc., pp. 1-9, Symposium on Materials Degradation in Energy Systems: Corrosion and Hydrogen-Material Interactions - 22nd ECS Meeting/PRiME 2012, Honolulu, HI, United States, 10/7/12. https://doi.org/10.1149/05030.0001ecst

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AU - Ishimoto, T.

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AB - The prediction of long-term durability of SOFC anode is important to understand the sintering phenomena in the anode, which are affected by microstructure, materials, and impurities. To understand the sintering phenomena considering the effects of materials and chemical species, molecular dynamics (MD) simulation is one of the most effective computational methods. In this study, we developed a theoretical methodology based on the master sintering curve to analyze the sintering property. We performed MD simulation for the densification of both Ni and YSZ porous structures. The sintering activation energy obtained from our proposed method was in reasonable agreement with the experimental result.

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Molecular dynamics study for sintering characteristics of solid oxide fuel cell anode

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