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 · Mon Mar 02 04:00:00 EST 1998 · Acta Materialia

DOI:https://doi.org/10.1016/S1359-6454(97)00356-X· OSTI ID:616387

Katamura, J; Sakuma, T ^[1]

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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

Related Subjects

36 MATERIALS SCIENCE
CRYSTAL-PHASE TRANSFORMATIONS
CUBIC LATTICES
MATHEMATICAL MODELS
MICROSTRUCTURE
SEGREGATION
TETRAGONAL LATTICES
YTTRIUM OXIDES
ZIRCONIUM OXIDES