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Title: Single crystal to polycrystal neutron transmission simulation

Abstract

A collection of routines for calculation of the total cross section that determines the attenuation of neutrons by crystalline solids is presented. The total cross section is calculated semi-empirically as a function of crystal structure, neutron energy, temperature, and crystal orientation. The semi-empirical formula includes the contribution of parasitic Bragg scattering to the total cross section using both the crystal’s mosaic spread value and its orientation with respect to the neutron beam direction as parameters. These routines allow users to enter a distribution of crystal orientations for calculation of total cross sections of user defined powder or pseudo powder distributions, which enables simulation of non-uniformities such as texture and strain. In conclusion, the spectra for neutron transmission simulations in the neutron thermal energy range (2 meV–100 meV) are presented for single crystal and polycrystal samples and compared to measurements.

Authors:
 [1];  [2];  [2]
+ Show Author Affiliations
  1. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physcis; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Geothermal Technologies Office
OSTI Identifier:
1423074
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Review of Scientific Instruments
Additional Journal Information:
Journal Volume: 89; Journal Issue: 2; Journal ID: ISSN 0034-6748
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Polycrystals; Particle beams; Crystal orientation; Crystal optics; Neutron physics

Citation Formats

Dessieux, Luc Lucius, Stoica, Alexandru Dan, and Bingham, Philip R. Single crystal to polycrystal neutron transmission simulation. United States: N. p., 2018. Web. doi:10.1063/1.5002102.
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Dessieux, Luc Lucius, Stoica, Alexandru Dan, & Bingham, Philip R. Single crystal to polycrystal neutron transmission simulation. United States. https://doi.org/10.1063/1.5002102
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Dessieux, Luc Lucius, Stoica, Alexandru Dan, and Bingham, Philip R. Fri . "Single crystal to polycrystal neutron transmission simulation". United States. https://doi.org/10.1063/1.5002102. https://www.osti.gov/servlets/purl/1423074.
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@article{osti_1423074,
title = {Single crystal to polycrystal neutron transmission simulation},
author = {Dessieux, Luc Lucius and Stoica, Alexandru Dan and Bingham, Philip R.},
abstractNote = {A collection of routines for calculation of the total cross section that determines the attenuation of neutrons by crystalline solids is presented. The total cross section is calculated semi-empirically as a function of crystal structure, neutron energy, temperature, and crystal orientation. The semi-empirical formula includes the contribution of parasitic Bragg scattering to the total cross section using both the crystal’s mosaic spread value and its orientation with respect to the neutron beam direction as parameters. These routines allow users to enter a distribution of crystal orientations for calculation of total cross sections of user defined powder or pseudo powder distributions, which enables simulation of non-uniformities such as texture and strain. In conclusion, the spectra for neutron transmission simulations in the neutron thermal energy range (2 meV–100 meV) are presented for single crystal and polycrystal samples and compared to measurements.},
doi = {10.1063/1.5002102},
journal = {Review of Scientific Instruments},
number = 2,
volume = 89,
place = {United States},
year = {2018},
month = {2}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1063/1.5002102
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Figures / Tables:

FIG. 1 FIG. 1: Each grain cross section is calculated, a distribution of grains is aggregated to form voxel cross-section , with voxel cross sections a sample can be simulated.
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Works referenced in this record:

Bragg Reflection of Slow Neutrons
journal, September 1936

Full-pattern analysis of time-of-flight neutron transmission of mosaic crystals
journal, February 2016

  • Malamud, Florencia; Santisteban, Javier R.
  • Journal of Applied Crystallography, Vol. 49, Issue 2
  • DOI: 10.1107/s1600576716000443

Cross-sections of materials used as neutron monochromators and filters
journal, August 1983

Focusing neutron guides for VULCAN—Design aspects, estimated performance, and detector deployment
journal, February 2009

  • Wang, X. -L.; Stoica, A. D.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 600, Issue 1
  • DOI: 10.1016/j.nima.2008.11.050

The effects of simultaneous reflections on single-crystal neutron diffraction intensities
journal, July 1964

Approximate calculation of multiple-diffraction patterns based on Renninger's kinematical `simplest approach'
journal, June 2000

Characterization of Crystallographic Structures Using Bragg-Edge Neutron Imaging at the Spallation Neutron Source
journal, December 2017

First In Situ Lattice Strains Measurements Under Load at VULCAN
journal, October 2010

  • An, Ke; Skorpenske, Harley D.; Stoica, Alexandru D.
  • Metallurgical and Materials Transactions A, Vol. 42, Issue 1
  • DOI: 10.1007/s11661-010-0495-9

Using pulsed neutron transmission for crystalline phase imaging and analysis
journal, April 2005

  • Steuwer, A.; Withers, P. J.; Santisteban, J. R.
  • Journal of Applied Physics, Vol. 97, Issue 7
  • DOI: 10.1063/1.1861144

The atomic simulation environment—a Python library for working with atoms
journal, June 2017

  • Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob
  • Journal of Physics: Condensed Matter, Vol. 29, Issue 27
  • DOI: 10.1088/1361-648x/aa680e

Diffraction in neutron imaging—A review
journal, January 2018

  • Woracek, Robin; Santisteban, Javier; Fedrigo, Anna
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 878
  • DOI: 10.1016/j.nima.2017.07.040

?Umweganregung?, eine bisher unbeachtete Wechselwirkungserscheinung bei Raumgitterinterferenzen
journal, March 1937

The effect of experimental resolution on crystal reflectivity and secondary extinction in neutron diffraction
journal, March 1965

On the efficiency of certain quasi-random sequences of points in evaluating multi-dimensional integrals
journal, December 1960

Diffraction-line shift caused by residual stress in polycrystal for all Laue groups in classical approximations
journal, February 2000

The Passage of Neutrons Through Crystals and Polycrystals
journal, June 1941

Algorithms for deriving crystallographic space-group information
journal, March 1999

  • Grosse-Kunstleve, R. W.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 55, Issue 2
  • DOI: 10.1107/s0108767398010186

3D Mapping of Crystallographic Phase Distribution using Energy-Selective Neutron Tomography
journal, April 2014

  • Woracek, Robin; Penumadu, Dayakar; Kardjilov, Nikolay
  • Advanced Materials, Vol. 26, Issue 24
  • DOI: 10.1002/adma.201400192

Neutron scattering lengths and cross sections
journal, January 1992

Feasibility study of neutron strain tomography
journal, July 2009

Bragg Reflection in Mosaic Crystals. I. General Solution of the Darwin Equations
journal, January 1997

  • Sears, V. F.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 53, Issue 1
  • DOI: 10.1107/s0108767396009804

Secondary extinction and neutron crystallography
journal, December 1948

Measurements of grain volume distribution parameters in polycrystals characterized by a log-normal distribution function
journal, March 1993

Attenuation of thermal neutrons by an imperfect single crystal
journal, June 1996

Neutron characteristics of single-crystal magnesium fluoride
journal, October 2013

Inverse pole figure mapping of bulk crystalline grains in a polycrystalline steel plate by pulsed neutron Bragg-dip transmission imaging
journal, October 2017

  • Sato, Hirotaka; Shiota, Yoshinori; Morooka, Satoshi
  • Journal of Applied Crystallography, Vol. 50, Issue 6
  • DOI: 10.1107/s1600576717012900

New trends in neutron imaging
journal, June 2009

  • Kardjilov, Nikolay; Hilger, André; Manke, Ingo
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 605, Issue 1-2
  • DOI: 10.1016/j.nima.2009.01.162

Energy-selective neutron transmission imaging at a pulsed source
journal, August 2007

  • Kockelmann, W.; Frei, G.; Lehmann, E. H.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 578, Issue 2
  • DOI: 10.1016/j.nima.2007.05.207

Time-of-flight neutron transmission of mosaic crystals
journal, November 2005

Extinction in time-of-flight neutron powder diffractometry
journal, May 1988

  • Sabine, T. M.; Von Dreele, R. B.; Jørgensen, J. -E.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 44, Issue 3
  • DOI: 10.1107/s0108767388000625

Tuning the activities of cuprous oxide nanostructures via the oxide-metal interaction
journal, May 2020

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    Works referencing / citing this record:

    Distinct Recrystallization Pathways in a Cold-Rolled Al-2%Mg Alloy Evidenced by In-Situ Neutron Diffraction
    journal, September 2018

    • Stoica, Grigoreta; Dessieux, Luc; Stoica, Alexandru
    • Quantum Beam Science, Vol. 2, Issue 3
    • DOI: 10.3390/qubs2030017
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      Figures / Tables found in this record:

      FIG. 1 (p. 2)figure
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