Molecular dynamics simulation of enhanced oxygen ion diffusion in strained yttria-stabilized zirconia

Ken Suzuki; Momoji Kubo; Yasunori Oumi; Ryuji Miura; Hiromitsu Takaba; Adil Fahmi; Abhijit Chatterjee; Kazuo Teraishi; Akira Miyamoto

doi:10.1063/1.122186

Molecular dynamics simulation of enhanced oxygen ion diffusion in strained yttria-stabilized zirconia

Ken Suzuki, Momoji Kubo, Yasunori Oumi, Ryuji Miura, Hiromitsu Takaba, Adil Fahmi, Abhijit Chatterjee, Kazuo Teraishi, Akira Miyamoto

Research output: Contribution to journal › Article › peer-review

49 Citations (Scopus)

Abstract

The application of strain to yttria-stabilized zirconia (YSZ), which can be realized by sandwiching a thin YSZ film epitaxially between layers of a material with larger lattice constants, is proposed as a means to enhance oxygen ion mobility. The possible mechanism of such an enhancement was investigated by molecular dynamics using a CeO₂-YSZ superlattice. The calculated diffusion coefficient of oxygen ions in the superlattice is some 1.7 times higher than in YSZ alone due to a decreased activation barrier from the strain of the YSZ structure.

Original language	English
Pages (from-to)	1502-1504
Number of pages	3
Journal	Applied Physics Letters
Volume	73
Issue number	11
DOIs	https://doi.org/10.1063/1.122186
Publication status	Published - 1998 Dec 1

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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abstract = "The application of strain to yttria-stabilized zirconia (YSZ), which can be realized by sandwiching a thin YSZ film epitaxially between layers of a material with larger lattice constants, is proposed as a means to enhance oxygen ion mobility. The possible mechanism of such an enhancement was investigated by molecular dynamics using a CeO2-YSZ superlattice. The calculated diffusion coefficient of oxygen ions in the superlattice is some 1.7 times higher than in YSZ alone due to a decreased activation barrier from the strain of the YSZ structure.",

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AU - Suzuki, Ken

AU - Kubo, Momoji

AU - Oumi, Yasunori

AU - Miura, Ryuji

AU - Takaba, Hiromitsu

AU - Fahmi, Adil

AU - Chatterjee, Abhijit

AU - Teraishi, Kazuo

AU - Miyamoto, Akira

PY - 1998/12/1

Y1 - 1998/12/1

N2 - The application of strain to yttria-stabilized zirconia (YSZ), which can be realized by sandwiching a thin YSZ film epitaxially between layers of a material with larger lattice constants, is proposed as a means to enhance oxygen ion mobility. The possible mechanism of such an enhancement was investigated by molecular dynamics using a CeO2-YSZ superlattice. The calculated diffusion coefficient of oxygen ions in the superlattice is some 1.7 times higher than in YSZ alone due to a decreased activation barrier from the strain of the YSZ structure.

AB - The application of strain to yttria-stabilized zirconia (YSZ), which can be realized by sandwiching a thin YSZ film epitaxially between layers of a material with larger lattice constants, is proposed as a means to enhance oxygen ion mobility. The possible mechanism of such an enhancement was investigated by molecular dynamics using a CeO2-YSZ superlattice. The calculated diffusion coefficient of oxygen ions in the superlattice is some 1.7 times higher than in YSZ alone due to a decreased activation barrier from the strain of the YSZ structure.

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Molecular dynamics simulation of enhanced oxygen ion diffusion in strained yttria-stabilized zirconia

Abstract

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