Molecular Dynamics Studies of Yttria Stabilized Zirconia. : I. Structure and Oxygen Diffusion

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概要

• 論文の詳細を見る

• The structure and dynamical propet'ties of oxygen conductor yttria stabilized zir-conia, (ZrO.), ,(Y,.0,)..., are investigated for tlt?'ee dopauat concentrations of 4.85,10.2 and 22.7 I]1O1%Y.O, using a method of molecular dynaxnics simulation. It isSIIOWII tltat a Y-O nearest neiglabor distance is longer than that for Zr-O, and an ox-ygen coordination number for Y ion is a little larger tltan that for Zr ion ixa all dopantconcentrations. Tlae self-diffusion constamat of O ions, D, shows a mnaximum at 10.2mo1%Y.0, with ixacreasing tlae dopant concentration. These results are in agreementwith exjcerin?ental nteasurements. It is shown that dopant Y ions play an ixnjcortantrole in such notable behavior of oxygen diffusion.[yttria stabilized zirconia, YSZ, oxygexa conductor, superionic conductor, ll molecular dynamics, computer simulationl

• 社団法人日本物理学会の論文
• 1992-08-15

著者

• Shimojo Fuyuki

  Department Of Physics Faculty Of Science Kumamoto University

• Shimojo F

  Hiroshima Univ. Higashi‐hiroshima Jpn

• Shimojo Fuyuki

  Graduate School Of Science And Technology Kumamoto University

• Shimojo Fuyuki

  Graduate School Of Science And Technology Niigata University

• Kobayashi M

  Niigata Univ. Niigata

• Kobayashi Michihiro

  Department Of Material Physics

• Kobayashi Michisuke

  Department of Physics, Faculty of Science, Niigata University

• OKAZAKI Hideo

  General Education Department,Niigata University

• Kobayashi Michisuke

  Department Of Physice Nigata University

• Kobayashi M

  Osaka Univ. Oska

• KAWAGUTI Minato

  Faculty of Engineering, Fukui University

• OKABE Tsuneyasu

  Department of Physics,Niigata University

• TACHIBANA Fumio

  Information Processing Center,Niigata University

• Okazaki H

  Department Of Physics Faculty Of Science Niigata University

• Okazaki Hideo

  General Education Department Niigata University

• Okabe Tsuneyasu

  Department Of Physics Niigata University

• Tachibana Fumio

  Information Processing Center Niigata University

• 下條 冬樹

  Kumamoto Univ. Kumamoto

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