Single crystal to polycrystal neutron transmission simulation

Dessieux, Luc Lucius; Stoica, Alexandru Dan; Bingham, Philip R.

doi:10.1063/1.5002102

Title: Single crystal to polycrystal neutron transmission simulation

Journal Article · 01 February 2018 · Review of Scientific Instruments

DOI: https://doi.org/10.1063/1.5002102 · OSTI ID:1423074

Dessieux, Luc Lucius ^[1]; Stoica, Alexandru Dan ^[2]; Bingham, Philip R. ^[2]

Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physcis; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

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.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Geothermal Technologies Office (EE-4G)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1423074

Journal Information:: Review of Scientific Instruments, Journal Name: Review of Scientific Instruments Journal Issue: 2 Vol. 89; ISSN 0034-6748

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (38)

The atomic simulation environment—a Python library for working with atoms Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob Journal of Physics: Condensed Matter, Vol. 29, Issue 27 https://doi.org/10.1088/1361-648x/aa680e	journal	June 2017
The effect of experimental resolution on crystal reflectivity and secondary extinction in neutron diffraction Dietrich, O. W.; Als-Nielsen, J. Acta Crystallographica, Vol. 18, Issue 2 https://doi.org/10.1107/s0365110x65000440	journal	March 1965
High-Resolution Strain Mapping Through Time-of-Flight Neutron Transmission Diffraction with a Microchannel Plate Neutron Counting Detector: High-Resolution Strain Mapping Tremsin, A. S.; McPhate, J. B.; Steuwer, A. Strain, Vol. 48, Issue 4 https://doi.org/10.1111/j.1475-1305.2011.00823.x	journal	September 2011
Time-of-flight neutron transmission diffraction Santisteban, J. R.; Edwards, L.; Steuwer, A. Journal of Applied Crystallography, Vol. 34, Issue 3 https://doi.org/10.1107/s0021889801003260	journal	May 2001
Real time neutron transmission investigation of the austenite-bainite transformation in grey iron Meggers, Kay; Priesmeyer, Hans G.; Trela, Walter J. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 88, Issue 4 https://doi.org/10.1016/0168-583x(94)95394-5	journal	June 1994
Secondary extinction and neutron crystallography Bacon, G. E.; Lowde, R. D. Acta Crystallographica, Vol. 1, Issue 6 https://doi.org/10.1107/s0365110x48000831	journal	December 1948
A Rietveld-Type Analysis Code for Pulsed Neutron Bragg-Edge Transmission Imaging and Quantitative Evaluation of Texture and Microstructure of a Welded α-Iron Plate Sato, Hirotaka; Kamiyama, Takashi; Kiyanagi, Yoshiaki MATERIALS TRANSACTIONS, Vol. 52, Issue 6 https://doi.org/10.2320/matertrans.m2010328	journal	January 2011
Measurements of grain volume distribution parameters in polycrystals characterized by a log-normal distribution function Bucki, J. J.; Kurzydłowski, K. J. Scripta Metallurgica et Materialia, Vol. 28, Issue 6 https://doi.org/10.1016/0956-716x(93)90035-q	journal	March 1993
Neutron characteristics of single-crystal magnesium fluoride Adib, M.; Habib, N.; Bashter, I. Annals of Nuclear Energy, Vol. 60 https://doi.org/10.1016/j.anucene.2013.04.024	journal	October 2013
Energy-selective neutron transmission imaging at a pulsed source 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 https://doi.org/10.1016/j.nima.2007.05.207	journal	August 2007
Cross-sections of materials used as neutron monochromators and filters Freund, Andreas K. Nuclear Instruments and Methods in Physics Research, Vol. 213, Issue 2-3 https://doi.org/10.1016/0167-5087(83)90447-7	journal	August 1983
Approximate calculation of multiple-diffraction patterns based on Renninger's kinematical `simplest approach' Rossmanith, Elisabeth Journal of Applied Crystallography, Vol. 33, Issue 3 https://doi.org/10.1107/s0021889800002739	journal	June 2000
Feasibility study of neutron strain tomography Abbey, Brian; Zhang, Shu Yan; Vorster, Wim. J. J. Procedia Engineering, Vol. 1, Issue 1 https://doi.org/10.1016/j.proeng.2009.06.043	journal	July 2009
Elements of Slow-Neutron Scattering Carpenter, J. M.; Loong, C. -K.; Saboungi, Marie-Louise https://doi.org/10.1017/CBO9781139029315	book	October 2015
nxs : a program library for neutron cross section calculations Boin, Mirko Journal of Applied Crystallography, Vol. 45, Issue 3 https://doi.org/10.1107/s0021889812016056	journal	May 2012
Diffraction-line shift caused by residual stress in polycrystal for all Laue groups in classical approximations Popa, N. C. Journal of Applied Crystallography, Vol. 33, Issue 1 https://doi.org/10.1107/s0021889899013357	journal	February 2000
The effects of simultaneous reflections on single-crystal neutron diffraction intensities Moon, R. M.; Shull, C. G. Acta Crystallographica, Vol. 17, Issue 7 https://doi.org/10.1107/s0365110x64002201	journal	July 1964
Neutron scattering lengths and cross sections Sears, Varley F. Neutron News, Vol. 3, Issue 3 https://doi.org/10.1080/10448639208218770	journal	January 1992
Algorithms for deriving crystallographic space-group information Grosse-Kunstleve, R. W. Acta Crystallographica Section A Foundations of Crystallography, Vol. 55, Issue 2 https://doi.org/10.1107/s0108767398010186	journal	March 1999
Tuning the activities of cuprous oxide nanostructures via the oxide-metal interaction Huang, Wugen; Liu, Qingfei; Zhou, Zhiwen Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-15965-8	journal	May 2020
First In Situ Lattice Strains Measurements Under Load at VULCAN An, Ke; Skorpenske, Harley D.; Stoica, Alexandru D. Metallurgical and Materials Transactions A, Vol. 42, Issue 1 https://doi.org/10.1007/s11661-010-0495-9	journal	October 2010
On the efficiency of certain quasi-random sequences of points in evaluating multi-dimensional integrals Halton, J. H. Numerische Mathematik, Vol. 2, Issue 1 https://doi.org/10.1007/bf01386213	journal	December 1960
Attenuation of thermal neutrons by an imperfect single crystal Naguib, K.; Adib, M. Journal of Physics D: Applied Physics, Vol. 29, Issue 6 https://doi.org/10.1088/0022-3727/29/6/005	journal	June 1996
The Transmission of Slow Neutrons through Microcrystalline Materials Fermi, E.; Sturm, W. J.; Sachs, R. G. Physical Review, Vol. 71, Issue 9 https://doi.org/10.1103/physrev.71.589	journal	May 1947
Time-of-flight neutron transmission of mosaic crystals Santisteban, Javier R. Journal of Applied Crystallography, Vol. 38, Issue 6 https://doi.org/10.1107/s0021889805028190	journal	November 2005
Diffraction in neutron imaging—A review Woracek, Robin; Santisteban, Javier; Fedrigo, Anna Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 878 https://doi.org/10.1016/j.nima.2017.07.040	journal	January 2018
Inverse pole figure mapping of bulk crystalline grains in a polycrystalline steel plate by pulsed neutron Bragg-dip transmission imaging Sato, Hirotaka; Shiota, Yoshinori; Morooka, Satoshi Journal of Applied Crystallography, Vol. 50, Issue 6 https://doi.org/10.1107/s1600576717012900	journal	October 2017
Characterization of Crystallographic Structures Using Bragg-Edge Neutron Imaging at the Spallation Neutron Source Song, Gian; Lin, Jiao; Bilheux, Jean Journal of Imaging, Vol. 3, Issue 4 https://doi.org/10.3390/jimaging3040065	journal	December 2017
Full-pattern analysis of time-of-flight neutron transmission of mosaic crystals Malamud, Florencia; Santisteban, Javier R. Journal of Applied Crystallography, Vol. 49, Issue 2 https://doi.org/10.1107/s1600576716000443	journal	February 2016
?Umweganregung?, eine bisher unbeachtete Wechselwirkungserscheinung bei Raumgitterinterferenzen Renninger, M. Zeitschrift f�r Physik, Vol. 106, Issue 3-4 https://doi.org/10.1007/bf01340315	journal	March 1937
Focusing neutron guides for VULCAN—Design aspects, estimated performance, and detector deployment 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 https://doi.org/10.1016/j.nima.2008.11.050	journal	February 2009
3D Mapping of Crystallographic Phase Distribution using Energy-Selective Neutron Tomography Woracek, Robin; Penumadu, Dayakar; Kardjilov, Nikolay Advanced Materials, Vol. 26, Issue 24 https://doi.org/10.1002/adma.201400192	journal	April 2014
New trends in neutron imaging 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 https://doi.org/10.1016/j.nima.2009.01.162	journal	June 2009
Using pulsed neutron transmission for crystalline phase imaging and analysis Steuwer, A.; Withers, P. J.; Santisteban, J. R. Journal of Applied Physics, Vol. 97, Issue 7 https://doi.org/10.1063/1.1861144	journal	April 2005
Extinction in time-of-flight neutron powder diffractometry Sabine, T. M.; Von Dreele, R. B.; Jørgensen, J. -E. Acta Crystallographica Section A Foundations of Crystallography, Vol. 44, Issue 3 https://doi.org/10.1107/s0108767388000625	journal	May 1988
The Passage of Neutrons Through Crystals and Polycrystals Halpern, O.; Hamermesh, M.; Johnson, M. H. Physical Review, Vol. 59, Issue 12 https://doi.org/10.1103/physrev.59.981	journal	June 1941
Bragg Reflection in Mosaic Crystals. I. General Solution of the Darwin Equations Sears, V. F. Acta Crystallographica Section A Foundations of Crystallography, Vol. 53, Issue 1 https://doi.org/10.1107/s0108767396009804	journal	January 1997
Bragg Reflection of Slow Neutrons Mitchell, Dana P.; Powers, Philip N. Physical Review, Vol. 50, Issue 5 https://doi.org/10.1103/physrev.50.486.2	journal	September 1936

Cited By (1)

Distinct Recrystallization Pathways in a Cold-Rolled Al-2%Mg Alloy Evidenced by In-Situ Neutron Diffraction Stoica, Grigoreta; Dessieux, Luc; Stoica, Alexandru Quantum Beam Science, Vol. 2, Issue 3 https://doi.org/10.3390/qubs2030017	journal	September 2018

Similar Records

A method to predict texture effect on ion beam channeling analysis of polycrystals and the application to study the mosaic spreading effect in highly oriented pyrolytic graphite

Journal Article · 2022 · Journal of Applied Physics · OSTI ID:1979070

Li, Yongchang; Chauhan, Rijul; Chen, Di; +3 more

Effects of interactions among crystals on the inhomogeneous deformations of polycrystals

Journal Article · 1996 · Acta Materialia · OSTI ID:247948

Sarma, G B; Dawson, P R

Polycrystal plasticity as applied to the problem of in-plane anisotropy in rolled cubic metals

Conference · 1989 · OSTI ID:5933702

Rollett, A D; Stout, M G; Kocks, U F

Related Subjects

36 MATERIALS SCIENCE
Polycrystals
Particle beams
Crystal orientation
Crystal optics
Neutron physics

Title: Single crystal to polycrystal neutron transmission simulation

Citation Formats

References (38)

Cited By (1)

Similar Records

Related Subjects