Computer Simulation of Twin Formation during the Displacive c→t′ Phase Transformation in the Zirconia‐Yttria System

Danan Fan, Long-qing Chen

Research output: Contribution to journalArticle

36 Scopus citations

Abstract

The kinetics of the displacive cubic‐to‐tetragonal (c→t′) phase transformation and the evolution of twin structure of Y2O3‐ZrO2 systems were investigated by employing the time‐dependent Ginzburg‐Landau equations, in which the displacive modes were described by nonconserved order parameters. The original elasticity theory of Khachaturyan, in a sharp‐interface description for an arbitrary distribution of second‐phase precipitates in a matrix, was reformulated in the spirit of the diffuse interface theory of Cahn and Hilliard for interphase boundaries. The influence of thermodynamic conditions, clamped or stress‐free, on microstructure evolution was studied. Our computer simulation showed that, even though the thermodynamic equilibrium is the single domain under a stress‐free condition, the twin structure can form during a kinetic path of the phase transformation, and it is the clamped condition which results in the formation of stable twins.

Original languageEnglish (US)
Pages (from-to)769-773
Number of pages5
JournalJournal of the American Ceramic Society
Volume78
Issue number3
DOIs
StatePublished - Jan 1 1995

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Geology
  • Geochemistry and Petrology
  • Materials Chemistry

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