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PHASE TRANSITIONS AND ELASTICITY IN ZIRCONIA.

Publication ,  Journal Article
Cohen, RE; Mehl, MJ; Boyer, LL
Published in: Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics
May 1, 1987

The potential induced breathing (PIB) model is used to calculate equations of state, relative phase stabilities, and elasticity of several different structures of ZrO//2. PIB is a non-empirical model for calculation of static and dynamic properties of ionic crystals. The cubic fluorite structure is found to be the stable zero-pressure phase. The monoclinic phase is more stable at low densities and the PbCl//2 phase is more stable at high pressures. The rutile structure is found to be relatively unstable, a result in agreement with experiment. Elastic constants are calculated for the monoclinic, tetragonal, and fluorite phases of ZrO//2. For the pure monoclinic phase, good agreement with experiment is found for the aggregate shear and Young's moduli. The elastic constants and pressure derivatives for cubic zirconia are discrepant with experimental data, and it is suggested that disorder greatly affects its elastic behavior. Furthermore, disorder and defects may be important in stabilizing the monoclinic and tetragonal structures.

Duke Scholars

Published In

Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics

ISSN

0165-1757

Publication Date

May 1, 1987

Volume

150

Issue

1-2

Start / End Page

1 / 9
 

Citation

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Cohen, R. E., Mehl, M. J., & Boyer, L. L. (1987). PHASE TRANSITIONS AND ELASTICITY IN ZIRCONIA. Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics, 150(1–2), 1–9.
Cohen, R. E., M. J. Mehl, and L. L. Boyer. “PHASE TRANSITIONS AND ELASTICITY IN ZIRCONIA.Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics 150, no. 1–2 (May 1, 1987): 1–9.
Cohen RE, Mehl MJ, Boyer LL. PHASE TRANSITIONS AND ELASTICITY IN ZIRCONIA. Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics. 1987 May 1;150(1–2):1–9.
Cohen, R. E., et al. “PHASE TRANSITIONS AND ELASTICITY IN ZIRCONIA.Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics, vol. 150, no. 1–2, May 1987, pp. 1–9.
Cohen RE, Mehl MJ, Boyer LL. PHASE TRANSITIONS AND ELASTICITY IN ZIRCONIA. Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics. 1987 May 1;150(1–2):1–9.

Published In

Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics

ISSN

0165-1757

Publication Date

May 1, 1987

Volume

150

Issue

1-2

Start / End Page

1 / 9