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Title: In-situ investigation of Hf 6Ta 2O 17 anisotropic thermal expansion and topotactic, peritectic transformation

Abstract

The anisotropic coefficients of thermal expansion and the peritectic transformation of orthorhombic-Hf 6Ta 2O 12 to tetragonal-HfO 2 plus liquid at 2250 °C have been studied by in-situ X-ray powder diffraction from room temperature to complete melting (~2450 °C) in air, using a quadrupole lamp furnace (QLF) and a conical nozzle levitator (CNL) equipped with a CO 2 laser. The topotactic, peritectic transformation has been fully described by extracting the orientation relationship, lattice variant deformation and a motif (grouping) of cations that relates the two structures at the transformation temperature. The calculation of these two important parameters as well as identification of the motif is facilitated by a knowledge of the anisotropic coefficients of thermal expansion as a function of temperature. In conclusion, symmetry decomposition has been performed to show that the orthorhombic-Hf 6Ta 2O 12 and tetragonal-HfO 2 structures are simply related by polyhedral rotations and loss of 1 mol of oxygen.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [1]
  1. Univ. of Illinois at Urbana, Champaign, IL (United States)
  2. Materials Development, Inc., Evanston, IL (United States); Argonne National Lab. (ANL), Lemont, IL (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
National Science Foundation (NSF); USDOE
OSTI Identifier:
1505603
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 161; Journal Issue: C; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Crystalline oxides; In-situ high temperature X-ray diffraction; Phase transformations; Thermal expansion; X-ray synchrotron radiation

Citation Formats

McCormack, Scott J., Weber, Richard J., and Kriven, Waltraud M. In-situ investigation of Hf6Ta2O17 anisotropic thermal expansion and topotactic, peritectic transformation. United States: N. p., 2018. Web. doi:10.1016/j.actamat.2018.08.029.
McCormack, Scott J., Weber, Richard J., & Kriven, Waltraud M. In-situ investigation of Hf6Ta2O17 anisotropic thermal expansion and topotactic, peritectic transformation. United States. doi:10.1016/j.actamat.2018.08.029.
McCormack, Scott J., Weber, Richard J., and Kriven, Waltraud M. Thu . "In-situ investigation of Hf6Ta2O17 anisotropic thermal expansion and topotactic, peritectic transformation". United States. doi:10.1016/j.actamat.2018.08.029. https://www.osti.gov/servlets/purl/1505603.
@article{osti_1505603,
title = {In-situ investigation of Hf6Ta2O17 anisotropic thermal expansion and topotactic, peritectic transformation},
author = {McCormack, Scott J. and Weber, Richard J. and Kriven, Waltraud M.},
abstractNote = {The anisotropic coefficients of thermal expansion and the peritectic transformation of orthorhombic-Hf6Ta2O12 to tetragonal-HfO2 plus liquid at 2250 °C have been studied by in-situ X-ray powder diffraction from room temperature to complete melting (~2450 °C) in air, using a quadrupole lamp furnace (QLF) and a conical nozzle levitator (CNL) equipped with a CO2 laser. The topotactic, peritectic transformation has been fully described by extracting the orientation relationship, lattice variant deformation and a motif (grouping) of cations that relates the two structures at the transformation temperature. The calculation of these two important parameters as well as identification of the motif is facilitated by a knowledge of the anisotropic coefficients of thermal expansion as a function of temperature. In conclusion, symmetry decomposition has been performed to show that the orthorhombic-Hf6Ta2O12 and tetragonal-HfO2 structures are simply related by polyhedral rotations and loss of 1 mol of oxygen.},
doi = {10.1016/j.actamat.2018.08.029},
journal = {Acta Materialia},
issn = {1359-6454},
number = C,
volume = 161,
place = {United States},
year = {2018},
month = {8}
}

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