LAPSE:2023.25767
Published Article
LAPSE:2023.25767
Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method
Chaoyu Liang, Chao Yang, Jiatang Wang, Peijian Lin, Xinke Li, Xuyang Wu, Jinliang Yuan
March 29, 2023
During development of substitute anode materials suitable for solid oxide fuel cell (SOFC), understanding of sintering mechanisms and effects is significant for synthesized porous structures and performance. A molecular dynamics (MD) model is developed and applied in this study for the SOFC anode sintered materials to reveal the sintering condition effects. It is predicted that, for the case of two nanoparticles of electron-conducting La-doped SrTiO3 (LST), the higher the sintering temperature, the faster the aggregation of nanoparticles and the higher the sintering degree. An increase in the nanoparticle size could delay the sintering, process but does not affect the final sintering degree. The MD model is further applied for the case of the multi-nanoparticles containing LST and ion-conducting electrolyte materials of gadolinium-doped ceria (GDC), i.e., the LST-GDC particles. The sintering conditions and effects on the LST-GDC particles are evaluated, in terms of the mean square displacement (MSD) and various structural parameters. Two important thermal properties are also calculated that agree well with the experimental values. The findings obtained from this study are useful to identify the optimized sintering parameters for development of the SOFC electrode materials.
Keywords
LST-GDC, molecular dynamics, multi-nanoparticles, sintering process, solid oxide fuel cell (SOFC)
Subject
Suggested Citation
Liang C, Yang C, Wang J, Lin P, Li X, Wu X, Yuan J. Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method. (2023). LAPSE:2023.25767
Author Affiliations
Liang C: Faculty of Maritime and Transportation, Ningbo University, Ningbo 315211, China
Yang C: Faculty of Maritime and Transportation, Ningbo University, Ningbo 315211, China; Merchant Marine College, Shanghai Maritime University, Shanghai 201306, China
Wang J: Faculty of Maritime and Transportation, Ningbo University, Ningbo 315211, China
Lin P: Faculty of Maritime and Transportation, Ningbo University, Ningbo 315211, China
Li X: Faculty of Maritime and Transportation, Ningbo University, Ningbo 315211, China
Wu X: Faculty of Maritime and Transportation, Ningbo University, Ningbo 315211, China
Yuan J: Faculty of Maritime and Transportation, Ningbo University, Ningbo 315211, China [ORCID]
Journal Name
Energies
Volume
13
Issue
16
Article Number
E4128
Year
2020
Publication Date
2020-08-10
Published Version
ISSN
1996-1073
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PII: en13164128, Publication Type: Journal Article
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LAPSE:2023.25767
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doi:10.3390/en13164128
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Mar 29, 2023
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CC BY 4.0
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