Molecular Dynamics Studies of Yttria Stabilized Zironia. : II. Microscopic Mechanism of Oxygen Diffusion

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概要

• 論文の詳細を見る

• The microscopic xnechanism of oxygern diffusion in yttria stabilized zirconia (YSZ)is investigated by means of a polyhedron analysis. It is shown that the probability offinding O Jon in a tetrahedron increases as Y ions at the corners of the tetrahedron in-crease, and this tendency becomes marked w'jtla i>tcreasing dopant concentration,which is consistent witla the fact that the ox)'gen coordination number for Y ion islarger tlaan that for Zr ion. By stu dying the ox)zgen migrations betw'een tetrahedra inthe [1004 direction in detail, it is found that the migrations preferentially occur be-tw'een tetrahedra having a common Zr-Zr edge, and Y ions restrict the diffusion pathsof O ions. The restriction by the Y-Y edge causes tlae decrease of the oxygen diffusionwith increasing dopant concentration. It is discussed that the fluorite structure ofYSZ is guaranteed by the defective and disordered state of oxygen sublattice.[yttria stabilized zirconia, YSZ, oxygen conductor, superionic conductor, l[ molecular dynamics, computer simulationl

• 社団法人日本物理学会の論文
• 1992-11-15

著者

• Shimojo Fuyuki

  Graduate School Of Science And Technology Kumamoto University

• Okazaki Hideo

  College Of General Education Niigata University

• Okazaki Hideo

  College Of General Education Niigat University

• Shimojo Fuyuki

  Graduate School Of Science And Technology Niigat University

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