Monte Carlo simulation of neutron scattering by a textured polycrystal

Autores
Laliena, Victor; Vicente Alvarez, Miguel Angel; Campo, Javier
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A method of simulating the neutron scattering by a textured polycrystal is presented. It is based on an expansion of the scattering cross sections in terms of the spherical harmonics of the incident and scattering directions, which is derived from the generalized Fourier expansion of the polycrystal orientation distribution function. The method has been implemented in a Monte Carlo code as a component of the McStas software package, and it has been validated by computing some pole figures of a Zircaloy-4 plate and a Zr–2.5Nb pressure tube, and by simulating an ideal transmission experiment. The code can be used to estimate the background generated by components of neutron instruments such as pressure cells, whose walls are made of alloys with significant crystallographic texture. As a first application, the effect of texture on the signal-to-noise ratio was studied in a simple model of a diffraction experiment, in which a sample is placed inside a pressure cell made of a zirconium alloy. With this setting, the results of two simulations were compared: one in which the pressure-cell wall has a uniform distribution of grain orientations, and another in which the pressure cell has the texture of a Zr–2.5Nb pressure tube. The results showed that the effect of the texture of the pressure cell on the noise of a diffractogram is very important. Thus, the signal-to-noise ratio can be controlled by appropriate choice of the texture of the pressure-cell walls.
Fil: Laliena, Victor. Universidad de Zaragoza. Instituto de Ciencias de Materiales de Aragon; España. Consejo Superior de Investigaciones Científicas; España
Fil: Vicente Alvarez, Miguel Angel. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Gerencia de Ingeniería Nuclear (CAB). División Neutrones y Reactores; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Campo, Javier. Universidad de Zaragoza. Instituto de Ciencias de Materiales de Aragon; España. Consejo Superior de Investigaciones Científicas; España
Materia
CRYSTALLOGRAPHIC TEXTURE
MONTE CARLO SIMULATIONS
NEUTRON DIFFRACTION
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/126632
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/126632
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Monte Carlo simulation of neutron scattering by a textured polycrystalLaliena, VictorVicente Alvarez, Miguel AngelCampo, JavierCRYSTALLOGRAPHIC TEXTUREMONTE CARLO SIMULATIONSNEUTRON DIFFRACTIONhttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2A method of simulating the neutron scattering by a textured polycrystal is presented. It is based on an expansion of the scattering cross sections in terms of the spherical harmonics of the incident and scattering directions, which is derived from the generalized Fourier expansion of the polycrystal orientation distribution function. The method has been implemented in a Monte Carlo code as a component of the McStas software package, and it has been validated by computing some pole figures of a Zircaloy-4 plate and a Zr–2.5Nb pressure tube, and by simulating an ideal transmission experiment. The code can be used to estimate the background generated by components of neutron instruments such as pressure cells, whose walls are made of alloys with significant crystallographic texture. As a first application, the effect of texture on the signal-to-noise ratio was studied in a simple model of a diffraction experiment, in which a sample is placed inside a pressure cell made of a zirconium alloy. With this setting, the results of two simulations were compared: one in which the pressure-cell wall has a uniform distribution of grain orientations, and another in which the pressure cell has the texture of a Zr–2.5Nb pressure tube. The results showed that the effect of the texture of the pressure cell on the noise of a diffractogram is very important. Thus, the signal-to-noise ratio can be controlled by appropriate choice of the texture of the pressure-cell walls.Fil: Laliena, Victor. Universidad de Zaragoza. Instituto de Ciencias de Materiales de Aragon; España. Consejo Superior de Investigaciones Científicas; EspañaFil: Vicente Alvarez, Miguel Angel. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Gerencia de Ingeniería Nuclear (CAB). División Neutrones y Reactores; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Campo, Javier. Universidad de Zaragoza. Instituto de Ciencias de Materiales de Aragon; España. Consejo Superior de Investigaciones Científicas; EspañaWiley Blackwell Publishing, Inc2020-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/126632Laliena, Victor; Vicente Alvarez, Miguel Angel; Campo, Javier; Monte Carlo simulation of neutron scattering by a textured polycrystal; Wiley Blackwell Publishing, Inc; Journal Of Applied Crystallography; 53; 4-2020; 512-5290021-88981600-5767CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S1600576720002290info:eu-repo/semantics/altIdentifier/doi/10.1107/S1600576720002290info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:17:24Zoai:ri.conicet.gov.ar:11336/126632instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:17:25.274CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Monte Carlo simulation of neutron scattering by a textured polycrystal
title Monte Carlo simulation of neutron scattering by a textured polycrystal
spellingShingle Monte Carlo simulation of neutron scattering by a textured polycrystal
Laliena, Victor
CRYSTALLOGRAPHIC TEXTURE
MONTE CARLO SIMULATIONS
NEUTRON DIFFRACTION
title_short Monte Carlo simulation of neutron scattering by a textured polycrystal
title_full Monte Carlo simulation of neutron scattering by a textured polycrystal
title_fullStr Monte Carlo simulation of neutron scattering by a textured polycrystal
title_full_unstemmed Monte Carlo simulation of neutron scattering by a textured polycrystal
title_sort Monte Carlo simulation of neutron scattering by a textured polycrystal
dc.creator.none.fl_str_mv Laliena, Victor
Vicente Alvarez, Miguel Angel
Campo, Javier
author Laliena, Victor
author_facet Laliena, Victor
Vicente Alvarez, Miguel Angel
Campo, Javier
author_role author
author2 Vicente Alvarez, Miguel Angel
Campo, Javier
author2_role author
author
dc.subject.none.fl_str_mv CRYSTALLOGRAPHIC TEXTURE
MONTE CARLO SIMULATIONS
NEUTRON DIFFRACTION
topic CRYSTALLOGRAPHIC TEXTURE
MONTE CARLO SIMULATIONS
NEUTRON DIFFRACTION
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv A method of simulating the neutron scattering by a textured polycrystal is presented. It is based on an expansion of the scattering cross sections in terms of the spherical harmonics of the incident and scattering directions, which is derived from the generalized Fourier expansion of the polycrystal orientation distribution function. The method has been implemented in a Monte Carlo code as a component of the McStas software package, and it has been validated by computing some pole figures of a Zircaloy-4 plate and a Zr–2.5Nb pressure tube, and by simulating an ideal transmission experiment. The code can be used to estimate the background generated by components of neutron instruments such as pressure cells, whose walls are made of alloys with significant crystallographic texture. As a first application, the effect of texture on the signal-to-noise ratio was studied in a simple model of a diffraction experiment, in which a sample is placed inside a pressure cell made of a zirconium alloy. With this setting, the results of two simulations were compared: one in which the pressure-cell wall has a uniform distribution of grain orientations, and another in which the pressure cell has the texture of a Zr–2.5Nb pressure tube. The results showed that the effect of the texture of the pressure cell on the noise of a diffractogram is very important. Thus, the signal-to-noise ratio can be controlled by appropriate choice of the texture of the pressure-cell walls.
Fil: Laliena, Victor. Universidad de Zaragoza. Instituto de Ciencias de Materiales de Aragon; España. Consejo Superior de Investigaciones Científicas; España
Fil: Vicente Alvarez, Miguel Angel. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Gerencia de Ingeniería Nuclear (CAB). División Neutrones y Reactores; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Campo, Javier. Universidad de Zaragoza. Instituto de Ciencias de Materiales de Aragon; España. Consejo Superior de Investigaciones Científicas; España
description A method of simulating the neutron scattering by a textured polycrystal is presented. It is based on an expansion of the scattering cross sections in terms of the spherical harmonics of the incident and scattering directions, which is derived from the generalized Fourier expansion of the polycrystal orientation distribution function. The method has been implemented in a Monte Carlo code as a component of the McStas software package, and it has been validated by computing some pole figures of a Zircaloy-4 plate and a Zr–2.5Nb pressure tube, and by simulating an ideal transmission experiment. The code can be used to estimate the background generated by components of neutron instruments such as pressure cells, whose walls are made of alloys with significant crystallographic texture. As a first application, the effect of texture on the signal-to-noise ratio was studied in a simple model of a diffraction experiment, in which a sample is placed inside a pressure cell made of a zirconium alloy. With this setting, the results of two simulations were compared: one in which the pressure-cell wall has a uniform distribution of grain orientations, and another in which the pressure cell has the texture of a Zr–2.5Nb pressure tube. The results showed that the effect of the texture of the pressure cell on the noise of a diffractogram is very important. Thus, the signal-to-noise ratio can be controlled by appropriate choice of the texture of the pressure-cell walls.
publishDate 2020
dc.date.none.fl_str_mv 2020-04
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/126632
Laliena, Victor; Vicente Alvarez, Miguel Angel; Campo, Javier; Monte Carlo simulation of neutron scattering by a textured polycrystal; Wiley Blackwell Publishing, Inc; Journal Of Applied Crystallography; 53; 4-2020; 512-529
0021-8898
1600-5767
CONICET Digital
CONICET
url http://hdl.handle.net/11336/126632
identifier_str_mv Laliena, Victor; Vicente Alvarez, Miguel Angel; Campo, Javier; Monte Carlo simulation of neutron scattering by a textured polycrystal; Wiley Blackwell Publishing, Inc; Journal Of Applied Crystallography; 53; 4-2020; 512-529
0021-8898
1600-5767
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S1600576720002290
info:eu-repo/semantics/altIdentifier/doi/10.1107/S1600576720002290
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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