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Title: Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data

Abstract

Yttria Stabilised Zirconia (YSZ) is a tough, phase-transforming ceramic that finds use in a wide range of commercial applications from dental prostheses to thermal barrier coatings. Micromechanical modelling of phase transformation can deliver reliable predictions in terms of the influence of temperature and stress. However, models must rely on the accurate knowledge of single crystal elastic stiffness constants. Some techniques for elastic stiffness determination are well-established. The most popular of these involve exploiting frequency shifts and phase velocities of acoustic waves. However, the application of these techniques to YSZ can be problematic due to the micro-twinning observed in larger crystals. Here, we propose an alternative approach based on selective elastic strain sampling (e.g., by diffraction) of grain ensembles sharing certain orientation, and the prediction of the same quantities by polycrystalline modelling, for example, the Reuss or Voigt average. The inverse problem arises consisting of adjusting the single crystal stiffness matrix to match the polycrystal predictions to observations. In the present model-matching study, we sought to determine the single crystal stiffness matrix of tetragonal YSZ using the results of time-of-flight neutron diffraction obtained from an in situ compression experiment and Finite Element modelling of the deformation of polycrystalline tetragonal YSZ. Themore » best match between the model predictions and observations was obtained for the optimized stiffness values of C11 = 451, C33 = 302, C44 = 39, C66 = 82, C12 = 240, and C13 = 50 (units: GPa). Considering the significant amount of scatter in the published literature data, our result appears reasonably consistent.« less

Authors:
; ; ;  [1]; ; ;  [2];  [3]
  1. Department of Engineering Science, University of Oxford, Parks Road, Oxford OX1 3PJ (United Kingdom)
  2. ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell, Oxford OX11 0QX (United Kingdom)
  3. Specialist Dental Group, Mount Elizabeth Orchard, 3 Mount Elizabeth, #08-03/08-08/08-10, Singapore 228510 (Singapore)
Publication Date:
OSTI Identifier:
22320368
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 116; Journal Issue: 5; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CERAMICS; COMPRESSION; DEFORMATION; FLEXIBILITY; MONOCRYSTALS; NEUTRON DIFFRACTION; PHASE TRANSFORMATIONS; PHASE VELOCITY; POLYCRYSTALS; PRESSURE RANGE GIGA PA; PROSTHESES; SIMULATION; SOUND WAVES; STRAINS; STRESSES; TEMPERATURE DEPENDENCE; TIME-OF-FLIGHT METHOD; YTTRIUM OXIDES; ZIRCONIUM OXIDES

Citation Formats

Lunt, A. J. G., E-mail: alexander.lunt@eng.ox.ac.uk, Xie, M. Y., Baimpas, N., Korsunsky, A. M., Zhang, S. Y., Kabra, S., Kelleher, J., and Neo, T. K.. Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data. United States: N. p., 2014. Web. doi:10.1063/1.4891714.
Lunt, A. J. G., E-mail: alexander.lunt@eng.ox.ac.uk, Xie, M. Y., Baimpas, N., Korsunsky, A. M., Zhang, S. Y., Kabra, S., Kelleher, J., & Neo, T. K.. Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data. United States. doi:10.1063/1.4891714.
Lunt, A. J. G., E-mail: alexander.lunt@eng.ox.ac.uk, Xie, M. Y., Baimpas, N., Korsunsky, A. M., Zhang, S. Y., Kabra, S., Kelleher, J., and Neo, T. K.. Thu . "Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data". United States. doi:10.1063/1.4891714.
@article{osti_22320368,
title = {Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data},
author = {Lunt, A. J. G., E-mail: alexander.lunt@eng.ox.ac.uk and Xie, M. Y. and Baimpas, N. and Korsunsky, A. M. and Zhang, S. Y. and Kabra, S. and Kelleher, J. and Neo, T. K.},
abstractNote = {Yttria Stabilised Zirconia (YSZ) is a tough, phase-transforming ceramic that finds use in a wide range of commercial applications from dental prostheses to thermal barrier coatings. Micromechanical modelling of phase transformation can deliver reliable predictions in terms of the influence of temperature and stress. However, models must rely on the accurate knowledge of single crystal elastic stiffness constants. Some techniques for elastic stiffness determination are well-established. The most popular of these involve exploiting frequency shifts and phase velocities of acoustic waves. However, the application of these techniques to YSZ can be problematic due to the micro-twinning observed in larger crystals. Here, we propose an alternative approach based on selective elastic strain sampling (e.g., by diffraction) of grain ensembles sharing certain orientation, and the prediction of the same quantities by polycrystalline modelling, for example, the Reuss or Voigt average. The inverse problem arises consisting of adjusting the single crystal stiffness matrix to match the polycrystal predictions to observations. In the present model-matching study, we sought to determine the single crystal stiffness matrix of tetragonal YSZ using the results of time-of-flight neutron diffraction obtained from an in situ compression experiment and Finite Element modelling of the deformation of polycrystalline tetragonal YSZ. The best match between the model predictions and observations was obtained for the optimized stiffness values of C11 = 451, C33 = 302, C44 = 39, C66 = 82, C12 = 240, and C13 = 50 (units: GPa). Considering the significant amount of scatter in the published literature data, our result appears reasonably consistent.},
doi = {10.1063/1.4891714},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 5,
volume = 116,
place = {United States},
year = {2014},
month = {8}
}