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Title: Quantitative texture analysis at the WAND2 and HIDRA diffractometers

Abstract

Data collection and analysis strategies have been developed for efficient and reliable crystallographic texture measurements at two recently upgraded neutron diffractometers: the Wide Angle Neutron Diffractometer Squared (WAND2) and the High Intensity Diffractometer for Residual Stress Analysis (HIDRA) at the High Flux Isotope Reactor located at Oak Ridge National Laboratory. These methods are demonstrated using measurements on a variety of textured samples, including multi-phase steel composites and polycrystalline calcite (CaCO3). Reference measurements were also made at VULCAN, the engineering diffractometer located at the Spallation Neutron Source. The texture data obtained on the different instruments are in agreement, and WAND2 is more time efficient than HIDRA. Two analysis methods were investigated, single-peak fitting to obtain individual pole figures for inversion and Rietveld texture analysis using MAUD. Here, the impact of the differences between the various textures obtained was evaluated through the calculation of diffraction elastic constants, which is one application of the texture data collected. Both instruments were found to provide texture data that are suitable for complementing other analyses, such as residual stress mapping.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2];  [1]
  1. Univ. of Virginia, Charlottesville, VA (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1897000
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Crystallography (Online)
Additional Journal Information:
Journal Name: Journal of Applied Crystallography (Online); Journal Volume: 55; Journal Issue: 6; Journal ID: ISSN 1600-5767
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
47 OTHER INSTRUMENTATION; crystallographic texture; neutron diffraction; Rietveld texture analysis

Citation Formats

Peterson, Nathan E., Fancher, Christopher M., Frontzek, Matthias D., Bunn, Jeffrey R., Payzant, Andrew, An, Ke, and Agnew, Sean R. Quantitative texture analysis at the WAND2 and HIDRA diffractometers. United States: N. p., 2022. Web. doi:10.1107/s1600576722009013.
Peterson, Nathan E., Fancher, Christopher M., Frontzek, Matthias D., Bunn, Jeffrey R., Payzant, Andrew, An, Ke, & Agnew, Sean R. Quantitative texture analysis at the WAND2 and HIDRA diffractometers. United States. https://doi.org/10.1107/s1600576722009013
Peterson, Nathan E., Fancher, Christopher M., Frontzek, Matthias D., Bunn, Jeffrey R., Payzant, Andrew, An, Ke, and Agnew, Sean R. Thu . "Quantitative texture analysis at the WAND2 and HIDRA diffractometers". United States. https://doi.org/10.1107/s1600576722009013. https://www.osti.gov/servlets/purl/1897000.
@article{osti_1897000,
title = {Quantitative texture analysis at the WAND2 and HIDRA diffractometers},
author = {Peterson, Nathan E. and Fancher, Christopher M. and Frontzek, Matthias D. and Bunn, Jeffrey R. and Payzant, Andrew and An, Ke and Agnew, Sean R.},
abstractNote = {Data collection and analysis strategies have been developed for efficient and reliable crystallographic texture measurements at two recently upgraded neutron diffractometers: the Wide Angle Neutron Diffractometer Squared (WAND2) and the High Intensity Diffractometer for Residual Stress Analysis (HIDRA) at the High Flux Isotope Reactor located at Oak Ridge National Laboratory. These methods are demonstrated using measurements on a variety of textured samples, including multi-phase steel composites and polycrystalline calcite (CaCO3). Reference measurements were also made at VULCAN, the engineering diffractometer located at the Spallation Neutron Source. The texture data obtained on the different instruments are in agreement, and WAND2 is more time efficient than HIDRA. Two analysis methods were investigated, single-peak fitting to obtain individual pole figures for inversion and Rietveld texture analysis using MAUD. Here, the impact of the differences between the various textures obtained was evaluated through the calculation of diffraction elastic constants, which is one application of the texture data collected. Both instruments were found to provide texture data that are suitable for complementing other analyses, such as residual stress mapping.},
doi = {10.1107/s1600576722009013},
journal = {Journal of Applied Crystallography (Online)},
number = 6,
volume = 55,
place = {United States},
year = {Thu Oct 27 00:00:00 EDT 2022},
month = {Thu Oct 27 00:00:00 EDT 2022}
}

Works referenced in this record:

Mantid—Data analysis and visualization package for neutron scattering and μ SR experiments
journal, November 2014

  • Arnold, O.; Bilheux, J. C.; Borreguero, J. M.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764
  • DOI: 10.1016/j.nima.2014.07.029

Texture Analysis with MTEX – Free and Open Source Software Toolbox
journal, February 2010


Overview of the Conceptual Design of the Future VENUS Neutron Imaging Beam Line at the Spallation Neutron Source
journal, January 2015


SMARTS - a spectrometer for strain measurement in engineering materials
journal, December 2002

  • Bourke, M. A. M.; Dunand, D. C.; Ustundag, E.
  • Applied Physics A: Materials Science & Processing, Vol. 74, Issue 0
  • DOI: 10.1007/s003390201747

Choice of collimators for a crystal spectrometer for neutron diffraction
journal, October 1958


A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory
journal, September 2018

  • Calder, S.; An, K.; Boehler, R.
  • Review of Scientific Instruments, Vol. 89, Issue 9
  • DOI: 10.1063/1.5033906

Measurement of uncertainty in orientation distribution function calculations
journal, February 2014


Neutron transmission simulation of texture in polycrystalline materials
journal, November 2019

  • Dessieux, L. L.; Stoica, A. D.; Bingham, P. R.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 459
  • DOI: 10.1016/j.nimb.2019.09.010

Understanding structural changes in NMC Li-ion cells by in situ neutron diffraction
journal, June 2014


pyRS : a user-friendly package for the reduction and analysis of neutron diffraction data measured at the High Intensity Diffractometer for Residual Stress Analysis
journal, November 2021

  • Fancher, Chris M.; Bunn, Jeff R.; Bilheux, Jean
  • Journal of Applied Crystallography, Vol. 54, Issue 6
  • DOI: 10.1107/S1600576721010554

Probing orientation information using 3-dimensional reciprocal space volume analysis
journal, January 2019

  • Fancher, C. M.; Hoffmann, C. M.; Frontzek, M. D.
  • Review of Scientific Instruments, Vol. 90, Issue 1
  • DOI: 10.1063/1.5034135

A large, high performance, curved 2D position-sensitive neutron detector
journal, February 2002

  • Fried, J.; Harder, J. A.; Mahler, G. J.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 478, Issue 1-2
  • DOI: 10.1016/S0168-9002(01)01787-9

WAND 2 —A versatile wide angle neutron powder/single crystal diffractometer
journal, September 2018

  • Frontzek, M. D.; Whitfield, R.; Andrews, K. M.
  • Review of Scientific Instruments, Vol. 89, Issue 9
  • DOI: 10.1063/1.5033900

A model for calculating diffraction elastic constants
journal, February 2012

  • Gnäupel-Herold, Thomas; Creuziger, Adam A.; Iadicola, Mark
  • Journal of Applied Crystallography, Vol. 45, Issue 2
  • DOI: 10.1107/S0021889812002221

Next-generation diamond cell and applications to single-crystal neutron diffraction
journal, September 2018

  • Haberl, Bianca; Dissanayake, Sachith; Wu, Yan
  • Review of Scientific Instruments, Vol. 89, Issue 9
  • DOI: 10.1063/1.5031454

The Elastic Behaviour of a Crystalline Aggregate
journal, May 1952


Introduction to the Characterization of Residual Stress by Neutron Diffraction
book, January 2005


Deformation microstructures and textures in steels
journal, June 1999

  • Hutchinson, Bevis
  • Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, Vol. 357, Issue 1756
  • DOI: 10.1098/rsta.1999.0385

Neutron texture analysis on GEM at ISIS
journal, November 2006


Berechnung der elastischen Konstanten des Vielkristalls aus den Konstanten des Einkristalls
journal, August 1958


The Relation Between Texture and Microstructure in Rolled FCC Materials
journal, January 1991


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

Using Individual Spectra Simulation for the Study of Pole Figures Errors
journal, June 2009

  • Lychagina, T. A.; Nikolayev, D. I.; Wagner, F.
  • Texture, Stress, and Microstructure, Vol. 2009
  • DOI: 10.1155/2009/237485

Texture Evolution and Phase Transformation in Titanium Investigated by In-Situ Neutron Diffraction
journal, March 2011


Crystallographic texture in an additively manufactured nickel-base superalloy
journal, January 2017


Experimental Errors in Quantitative Texture Analysis from Diffraction Pole Figures
journal, May 1994


The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS
journal, September 2012

  • Neuefeind, Jörg; Feygenson, Mikhail; Carruth, John
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 287
  • DOI: 10.1016/j.nimb.2012.05.037

Investigation of Measured Pole Figures Errors
journal, September 2005


Debye–Waller Factors and Absorptive Scattering Factors of Elemental Crystals
journal, May 1996

  • Peng, L. -M.; Ren, G.; Dudarev, S. L.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 52, Issue 3
  • DOI: 10.1107/S010876739600089X

Crystal plasticity simulation study on the influence of texture on earing in steel
journal, November 2005


Transformation textures in steels
journal, January 1990


Analytical description of rolling textures in face-centred-cubic metals
journal, March 2013


Determination of pole figure coverage for texture measurements with neutron time-of-flight diffractometers
journal, June 2018


Deformation texture prediction: from the Taylor model to the advanced Lamel model
journal, March 2005


SciPy 1.0: fundamental algorithms for scientific computing in Python
journal, February 2020


VULCAN—The engineering diffractometer at the SNS
journal, November 2006


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


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

High stereographic resolution texture and residual stress evaluation using time-of-flight neutron diffraction
journal, May 2018

  • Xu, Pingguang; Harjo, Stefanus; Ojima, Mayumi
  • Journal of Applied Crystallography, Vol. 51, Issue 3
  • DOI: 10.1107/S1600576718004004