Skip to main content

Phase transitions and elasticity in zirconia

Publication ,  Journal Article
Cohen, RE; Mehl, MJ; Boyer, LL
Published in: Physica B+C
January 1, 1988

The potential induced breathing (PIB) model is used to calculate equations of state, relative phase stabilities, and elasticity of several different structures of ZrO2. 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 PbCl2 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 ZrO2. 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. © 1988.

Duke Scholars

Published In

Physica B+C

DOI

ISSN

0378-4363

Publication Date

January 1, 1988

Volume

150

Issue

1-2

Start / End Page

1 / 9
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Cohen, R. E., Mehl, M. J., & Boyer, L. L. (1988). Phase transitions and elasticity in zirconia. Physica B+C, 150(1–2), 1–9. https://doi.org/10.1016/0378-4363(88)90097-6
Cohen, R. E., M. J. Mehl, and L. L. Boyer. “Phase transitions and elasticity in zirconia.” Physica B+C 150, no. 1–2 (January 1, 1988): 1–9. https://doi.org/10.1016/0378-4363(88)90097-6.
Cohen RE, Mehl MJ, Boyer LL. Phase transitions and elasticity in zirconia. Physica B+C. 1988 Jan 1;150(1–2):1–9.
Cohen, R. E., et al. “Phase transitions and elasticity in zirconia.” Physica B+C, vol. 150, no. 1–2, Jan. 1988, pp. 1–9. Scopus, doi:10.1016/0378-4363(88)90097-6.
Cohen RE, Mehl MJ, Boyer LL. Phase transitions and elasticity in zirconia. Physica B+C. 1988 Jan 1;150(1–2):1–9.

Published In

Physica B+C

DOI

ISSN

0378-4363

Publication Date

January 1, 1988

Volume

150

Issue

1-2

Start / End Page

1 / 9