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Title: Simultaneous determination of high-temperature crystal structure and texture of synthetic porous cordierite

Abstract

The evolution of the crystal structure and crystallographic texture of porous synthetic cordierite was studied by in situ high-temperature neutron diffraction up to 1373 K, providing the first in situ high-temperature texture measurement of this technologically important material. It was observed that the crystal texture slightly weakens with increasing temperature, concurrently with subtle changes in the crystal structure. These changes are in agreement with previous work, leading the authors to the conclusion that high-temperature neutron diffraction allows reliable crystallographic characterization of materials with moderate texture. It was also demonstrated that structural changes occur at about the glass transition temperature of the cordierite glass (between 973 and 1073 K). Crystal structure refinements were conducted with and without quantitative texture analysis being part of the Rietveld refinement, and a critical comparison of the results is presented, contributing to the sparse body of literature on combined texture and crystal structure refinements.

Authors:
ORCiD logo [1]; ORCiD logo [2]
  1. Federal Inst. for Materials Research and Testing (BAM), Berlin (Germany); Univ. of Potsdam (Germany)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1525816
Report Number(s):
LA-UR-18-21169
Journal ID: ISSN 1600-5767; JACGAR
Grant/Contract Number:  
89233218CNA000001; AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Crystallography (Online)
Additional Journal Information:
Journal Name: Journal of Applied Crystallography (Online); Journal Volume: 50; Journal Issue: 3; Journal ID: ISSN 1600-5767
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; synthetic extruded cordierite; crystal texture; high temperature; atomic distances; atomic displacement parameters; neutron diffraction

Citation Formats

Bruno, Giovanni, and Vogel, Sven C. Simultaneous determination of high-temperature crystal structure and texture of synthetic porous cordierite. United States: N. p., 2017. Web. doi:10.1107/S160057671700406X.
Bruno, Giovanni, & Vogel, Sven C. Simultaneous determination of high-temperature crystal structure and texture of synthetic porous cordierite. United States. https://doi.org/10.1107/S160057671700406X
Bruno, Giovanni, and Vogel, Sven C. Thu . "Simultaneous determination of high-temperature crystal structure and texture of synthetic porous cordierite". United States. https://doi.org/10.1107/S160057671700406X. https://www.osti.gov/servlets/purl/1525816.
@article{osti_1525816,
title = {Simultaneous determination of high-temperature crystal structure and texture of synthetic porous cordierite},
author = {Bruno, Giovanni and Vogel, Sven C.},
abstractNote = {The evolution of the crystal structure and crystallographic texture of porous synthetic cordierite was studied by in situ high-temperature neutron diffraction up to 1373 K, providing the first in situ high-temperature texture measurement of this technologically important material. It was observed that the crystal texture slightly weakens with increasing temperature, concurrently with subtle changes in the crystal structure. These changes are in agreement with previous work, leading the authors to the conclusion that high-temperature neutron diffraction allows reliable crystallographic characterization of materials with moderate texture. It was also demonstrated that structural changes occur at about the glass transition temperature of the cordierite glass (between 973 and 1073 K). Crystal structure refinements were conducted with and without quantitative texture analysis being part of the Rietveld refinement, and a critical comparison of the results is presented, contributing to the sparse body of literature on combined texture and crystal structure refinements.},
doi = {10.1107/S160057671700406X},
journal = {Journal of Applied Crystallography (Online)},
number = 3,
volume = 50,
place = {United States},
year = {Thu Apr 13 00:00:00 EDT 2017},
month = {Thu Apr 13 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 10 works
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Figures / Tables:

Figure 1 Figure 1: Pole figure coverage of the 96 selected histograms for the four sample orientations.

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Works referenced in this record:

Variation of mean Si–O bond lengths in silicon–oxygen tetrahedra
journal, June 1978

  • Baur, W. H.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 34, Issue 6
  • DOI: 10.1107/S0567740878006640

Microstress partitioning in porous and microcracked synthetic cordierite
journal, January 2013


gsaslanguage: a GSAS script language for automated Rietveld refinements of diffraction data
journal, July 2011


High-Temperature Neutron Diffraction, Raman Spectroscopy, and First-Principles Calculations of Ti 3 SnC 2 and Ti 2 SnC
journal, March 2016

  • Bentzel, Grady W.; Naguib, Michael; Lane, Nina J.
  • Journal of the American Ceramic Society, Vol. 99, Issue 7
  • DOI: 10.1111/jace.14210

Properties of Flux-Grown Cordierite Single Crystals
journal, March 1976


Not All Microcracks are Born Equal: Thermal vs. Mechanical Microcracking in Porous Ceramics
book, January 2011

  • Bruno, Giovanni; Efremov, Alexander M.; An, Chong
  • Advances in Bioceramics and Porous Ceramics IV: Ceramic Engineering and Science Proceedings
  • DOI: 10.1002/9781118095263.ch13

A High‐Temperature Neutron Diffraction Study of Nb 2 AlC and TiNbAlC
journal, December 2014

  • Bentzel, Grady W.; Lane, Nina J.; Vogel, Sven C.
  • Journal of the American Ceramic Society, Vol. 98, Issue 3
  • DOI: 10.1111/jace.13366

Structural Aspects of the Lattice Thermal Expansion of Hexagonal Cordierite
journal, March 1987


Standard project for pole-figure determination by neutron diffraction
journal, October 1991


Recent advances in magnetic structure determination by neutron powder diffraction
journal, October 1993


A High-Temperature Neutron Diffraction and First-Principles Study of Ti 3 AlC 2 and Ti 3 (Al 0.8 Sn 0.2 )C 2
journal, December 2013

  • Lane, Nina J.; Vogel, Sven C.; Caspi, El'ad N.
  • Journal of the American Ceramic Society, Vol. 97, Issue 2
  • DOI: 10.1111/jace.12696

Structural chemistry of synthetic cordierite: Evidence for solid solutions and disordered compositional domains in Bi-flux-grown Mg-cordierites
journal, May 1994

  • Schwartz, Kenneth B.; Leong, Derek B.; McConville, Richard L.
  • Physics and Chemistry of Minerals, Vol. 20, Issue 8
  • DOI: 10.1007/BF00211852

An electron density residual study of magnesium aluminum oxide spinel
journal, March 1995


Texture in Rietveld refinement
journal, October 1992


Texture measurements using the new neutron diffractometer HIPPO and their analysis using the Rietveld method
journal, March 2004

  • Vogel, Sven C.; Hartig, Christian; Lutterotti, Luca
  • Powder Diffraction, Vol. 19, Issue 1
  • DOI: 10.1154/1.1649961

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011


Thermal Expansion of Cordierite
journal, July 1977


Quantitative texture analysis by Rietveld refinement
journal, August 1997


Temperature-Dependent Crystal Structures of Ti 2 AlN and Cr 2 GeC as Determined from High Temperature Neutron Diffraction
journal, June 2011


Calculation of the Average Coefficient of Thermal Expansion in Oriented Cordierite Polycrystals
journal, August 2008


Evidence for and calculation of micro-strain in porous synthetic cordierite
journal, August 2010


Crystal Structures and Mechanism of Thermal Expansion of High Cordierite and Its Solid Solutions
journal, June 1986


Micro- and macroscopic thermal expansion of stabilized aluminum titanate
journal, September 2010


On the stress-free lattice expansion of porous cordierite
journal, April 2010


A structural investigation of α-Al 2 O 3 at 2170 K
journal, February 1980

  • Ishizawa, N.; Miyata, T.; Minato, I.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 36, Issue 2
  • DOI: 10.1107/S0567740880002981

Thermal Expansions and Chemical Modifications of Cordierite
journal, November 1980


Rigid unit modes in framework silicates
journal, December 1995


Connecting the macro and microstrain responses in technical porous ceramics. Part II: microcracking
journal, January 2012

  • Bruno, Giovanni; Efremov, Alexander M.; An, Chong P.
  • Journal of Materials Science, Vol. 47, Issue 8
  • DOI: 10.1007/s10853-011-6216-y

The Polymorphism of Cordierite
journal, December 1953


Modeling the impact of microcracking on the thermoelasticity of porous and microcracked ceramics
journal, March 2013


Thermal expansion of anhydrous Mg-cordierite between 25 and 950� C
journal, December 1981

  • Mirwald, P. W.
  • Physics and Chemistry of Minerals, Vol. 7, Issue 6
  • DOI: 10.1007/BF00311979

Combined texture and structure analysis of deformed limestone from time-of-flight neutron diffraction spectra
journal, January 1997

  • Lutterotti, L.; Matthies, S.; Wenk, H. -R.
  • Journal of Applied Physics, Vol. 81, Issue 2
  • DOI: 10.1063/1.364220

High-temperature neutron diffraction and the temperature-dependent crystal structures of the M A X phases Ti 3 SiC 2 and Ti 3 GeC 2
journal, November 2010


Texture analysis with the new HIPPO TOF diffractometer
journal, December 2003

  • Wenk, H. -R.; Lutterotti, L.; Vogel, S.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 515, Issue 3
  • DOI: 10.1016/j.nima.2003.05.001

Isomorphism Between Sillimanite and Mullite
journal, April 1962


Works referencing / citing this record:

Crystal Structure and Thermal Expansion Coefficient of Cordierite Honeycomb Ceramics
journal, January 2019

  • Son, Min-A; Chae, Ki-Woong; Kim, Jeong Seog
  • physica status solidi (a), Vol. 216, Issue 4
  • DOI: 10.1002/pssa.201700994