dc.contributor.authorHuang, H. C.
dc.contributor.authorSu, P.-C.
dc.contributor.authorKwak, S. K.
dc.contributor.authorPornprasertsuk, R.
dc.contributor.authorYoon, Y.-J.
dc.identifier.citationHuang, H. C., Su, P. C., Kwak, S. K., Pornprasertsuk, R., & Yoon, Y. J. (2014). Molecular Dynamics Simulation of Oxygen Ion Diffusion in Yttria Stabilized Zirconia Single Crystals and Bicrystals. Fuel Cells, 14(4), 574-580.en_US
dc.description.abstractMolecular dynamics simulation studies have been performed to study the oxygen ion diffusion in yttria stabilized zirconia single crystals and bicrystals separated by tilt grain boundaries (GBs). Two types of GBs which are Σ 5 (3 1 0) and Σ 13 (5 1 0) are studied at temperatures between 1,000 K and 2,000 K. The effect of grain size, which is the distance between two GBs, and the effect of GB orientations are systematically investigated in this study. The oxygen diffusion in the bicrystals is found to be blocked by the GB, and the blocking effect increases with decreasing grain size and is affected by different grain orientations. In addition, the oxygen diffusion along the GB plane is most hindered.en_US
dc.relation.ispartofseriesFuel cellsen_US
dc.rights© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.en_US
dc.subjectDRNTU::Engineering::Mechanical engineering::Mechanics and dynamics
dc.titleMolecular dynamics simulation of oxygen ion diffusion in yttria stabilized zirconia single crystals and bicrystalsen_US
dc.typeJournal Article
dc.contributor.schoolSchool of Mechanical and Aerospace Engineeringen_US

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