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Computer simulation of the microstructural evolution during the diffusionless cubic-to-tetragonal transition in the system Zr0{sub 2}-Y{sub 2}O{sub 3}

Journal Article · · Acta Materialia
;  [1]
  1. Univ. of Tokyo (Japan). Dept. of Materials Science

The development of domain structure in tetragonal zirconia (t-ZrO{sub 2}) after the diffusionless cubic-to-tetragonal (c-t) transition is examined by computer simulation using the continuum time-dependent Ginzburg-Landau (TDGL) kinetic model. For the calculation, the c-t transition is assumed to be a second-order type, and the thermodynamic description in the cubic-tetragonal phase equilibria is used. The domain structure found in t-ZrO{sub 2} of ZrO{sub 2}-Y{sub 2}O{sub 3} is simulated by the calculation. The computer simulation predicts that the anti-phase domain boundary has a cubic-like structure, and that APB tends to adsorb yttrium ions from the domain interior. The prediction is consistent with recent data, which exhibit the segregation of yttrium ions in the domain boundaries in (ZrO{sub 2}-3 mol% Y{sub 2}O{sub 3})-12 mol% TiO{sub 2}.

OSTI ID:
616387
Journal Information:
Acta Materialia, Journal Name: Acta Materialia Journal Issue: 5 Vol. 46; ISSN 1359-6454; ISSN ACMAFD
Country of Publication:
United States
Language:
English

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