208 応力下での安定化ジルコニアにおける酸素拡散の分子動力学解析(OS2-2 先端材料システムの力学とメゾスケールモデリング)

概要

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In the present study, the oxygen diffusion in 4, 8, and 14 mol%-yttria-stabilized zirconia (4, 8, and 14YSZ) subjected to the uniaxial stress in the [100] direction is investigated by the molecular dynamics simulation. The directional oxygen diffusion in 4YSZ and 8YSZ is facilitated in the tensile direction and deteriorated in the compressive direction without changing the total diffusion property, which could be caused by the elastic recovery force. For 14YSZ, on the other hand, the oxygen diffusion remains unchanged regardless of the stress, probably due to the high yttria concentration. The tensile stress component in the <100> direction, therefore, could facilitate the oxygen migration in ytfxia-stabilized zirconia with the lower yttria concentrations.
2010-10-09