Shape Evolution of a Coherent Tetragonal Precipitate in Partially Stabilized Cubic ZrO2: A Computer Simulation

Yunzhi Wang, Hongying Wang, Long‐Qing ‐Q Chen, A. G. Khachaturyan

Research output: Contribution to journalArticle

54 Citations (Scopus)

Abstract

The kinetics of shape evolution of a tetragonal precipitate coherently embedded in a cubic matrix are examined. Specifically, the morphology of tetragonal ZrO2 particles in partially stabilized cubic ZrO2 is discussed. A computer simulation, carried out without any a priori constraint on possible kinetic paths and particle morphologies, shows that a lenslike shape appears during growth of a tetragonal particle. Upon further coarsening, the shape relaxes into a rhombus bounded by facets. Depending on the balance between interfacial and strain energies controlled by the particle size, the facets can be smoothly curved or straight. The predicted particle morphologies are in good agreement with the experimental observations. The kinetic model proposed is quite general for simulating microstructural developments during decomposition involving a crystal lattice symmetry change where elastic strain accommodation plays an important role.

Original languageEnglish (US)
Pages (from-to)3029-3033
Number of pages5
JournalJournal of the American Ceramic Society
Volume76
Issue number12
DOIs
StatePublished - Dec 1993

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computer simulation
Precipitates
Kinetics
Computer simulation
kinetics
Crystal symmetry
Coarsening
Strain energy
Interfacial energy
Crystal lattices
Particle size
Decomposition
symmetry
particle size
decomposition
crystal
matrix
particle
energy

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Materials Chemistry

Cite this

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abstract = "The kinetics of shape evolution of a tetragonal precipitate coherently embedded in a cubic matrix are examined. Specifically, the morphology of tetragonal ZrO2 particles in partially stabilized cubic ZrO2 is discussed. A computer simulation, carried out without any a priori constraint on possible kinetic paths and particle morphologies, shows that a lenslike shape appears during growth of a tetragonal particle. Upon further coarsening, the shape relaxes into a rhombus bounded by facets. Depending on the balance between interfacial and strain energies controlled by the particle size, the facets can be smoothly curved or straight. The predicted particle morphologies are in good agreement with the experimental observations. The kinetic model proposed is quite general for simulating microstructural developments during decomposition involving a crystal lattice symmetry change where elastic strain accommodation plays an important role.",
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Shape Evolution of a Coherent Tetragonal Precipitate in Partially Stabilized Cubic ZrO2 : A Computer Simulation. / Wang, Yunzhi; Wang, Hongying; Chen, Long‐Qing ‐Q; Khachaturyan, A. G.

In: Journal of the American Ceramic Society, Vol. 76, No. 12, 12.1993, p. 3029-3033.

Research output: Contribution to journalArticle

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