A novel method to obtain integral parameters of the orientation distribution function of textured polycrystals from wavelength‐resolved neutron transmission spectra
A novel method to estimate integral parameters of the orientation distribution function (ODF) in textured polycrystals from the wavelength‐resolved neutron transmission is presented. It is based on the expression of the total coherent elastic cross section as a function of the Fourier coefficients o...
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Veröffentlicht in: | Journal of applied crystallography 2021-06, Vol.54 (3), p.903-913 |
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description | A novel method to estimate integral parameters of the orientation distribution function (ODF) in textured polycrystals from the wavelength‐resolved neutron transmission is presented. It is based on the expression of the total coherent elastic cross section as a function of the Fourier coefficients of the ODF. This method is broken down in detail for obtaining Kearns factors in hexagonal crystals, and other material properties that depend on the average of second‐ and fourth‐rank tensors. The robustness of the method against three situations was analyzed: effects of sample misalignment, of cutoff value lmax of the series expansion and of experimental standard deviation. While sample misalignment is shown not to be critical for the determination of Kearns factors and second‐order‐rank properties, it can be critical for fourth‐rank and higher‐order tensor properties. The effect of the cutoff value on the method robustness is correlated to the standard deviation of the experimental data. In order to achieve a good estimation of the Fourier coefficients, it is recommended that the experimental standard deviation be around 3–5% of the total scattering cross section of the material for the method to be stable. The method was applied for the determination of Kearns factors from transmission measurements performed at the instrument ENGIN‐X (ISIS) on a Zr–2.5 Nb pressure tube along two sample directions and was shown to be able to estimate Kearns factors with an error below 5%.
The position and shape of Bragg edges in wavelength‐resolved neutron transmission spectra depend on the crystal structure and on the crystallographic texture of the material. This work describes a novel method to obtain integral parameters of the orientation distribution function from these spectra with the aim of estimating material properties. |
doi_str_mv | 10.1107/S1600576721003861 |
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The position and shape of Bragg edges in wavelength‐resolved neutron transmission spectra depend on the crystal structure and on the crystallographic texture of the material. This work describes a novel method to obtain integral parameters of the orientation distribution function from these spectra with the aim of estimating material properties.</description><identifier>ISSN: 1600-5767</identifier><identifier>ISSN: 0021-8898</identifier><identifier>EISSN: 1600-5767</identifier><identifier>DOI: 10.1107/S1600576721003861</identifier><language>eng</language><publisher>5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography</publisher><subject>Bragg edge ; crystallographic texture ; Crystals ; Distribution functions ; Integrals ; Material properties ; Mathematical analysis ; Misalignment ; Parameter estimation ; Polycrystals ; Robustness ; Scattering cross sections ; Series expansion ; Standard deviation ; Tensors ; Wavelength ; wavelength‐resolved neutron transmission ; Zirconium</subject><ispartof>Journal of applied crystallography, 2021-06, Vol.54 (3), p.903-913</ispartof><rights>2021 Miguel Angel Vicente Alvarez et al. published by IUCr Journals.</rights><rights>Copyright Blackwell Publishing Ltd. Jun 2021</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c3663-62ff6f7d9f9c0bd578ab58cdfdb242b1d9e7e7f9b8b922f026e19e6048cadf1f3</citedby><cites>FETCH-LOGICAL-c3663-62ff6f7d9f9c0bd578ab58cdfdb242b1d9e7e7f9b8b922f026e19e6048cadf1f3</cites><orcidid>0000-0003-4987-2419</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1107%2FS1600576721003861$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1107%2FS1600576721003861$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,776,780,1411,27903,27904,45553,45554</link.rule.ids></links><search><creatorcontrib>Vicente Alvarez, Miguel Angel</creatorcontrib><creatorcontrib>Laliena, Victor</creatorcontrib><creatorcontrib>Malamud, Florencia</creatorcontrib><creatorcontrib>Campo, Javier</creatorcontrib><creatorcontrib>Santisteban, Javier</creatorcontrib><title>A novel method to obtain integral parameters of the orientation distribution function of textured polycrystals from wavelength‐resolved neutron transmission spectra</title><title>Journal of applied crystallography</title><description>A novel method to estimate integral parameters of the orientation distribution function (ODF) in textured polycrystals from the wavelength‐resolved neutron transmission is presented. It is based on the expression of the total coherent elastic cross section as a function of the Fourier coefficients of the ODF. This method is broken down in detail for obtaining Kearns factors in hexagonal crystals, and other material properties that depend on the average of second‐ and fourth‐rank tensors. The robustness of the method against three situations was analyzed: effects of sample misalignment, of cutoff value lmax of the series expansion and of experimental standard deviation. While sample misalignment is shown not to be critical for the determination of Kearns factors and second‐order‐rank properties, it can be critical for fourth‐rank and higher‐order tensor properties. The effect of the cutoff value on the method robustness is correlated to the standard deviation of the experimental data. In order to achieve a good estimation of the Fourier coefficients, it is recommended that the experimental standard deviation be around 3–5% of the total scattering cross section of the material for the method to be stable. The method was applied for the determination of Kearns factors from transmission measurements performed at the instrument ENGIN‐X (ISIS) on a Zr–2.5 Nb pressure tube along two sample directions and was shown to be able to estimate Kearns factors with an error below 5%.
The position and shape of Bragg edges in wavelength‐resolved neutron transmission spectra depend on the crystal structure and on the crystallographic texture of the material. This work describes a novel method to obtain integral parameters of the orientation distribution function from these spectra with the aim of estimating material properties.</description><subject>Bragg edge</subject><subject>crystallographic texture</subject><subject>Crystals</subject><subject>Distribution functions</subject><subject>Integrals</subject><subject>Material properties</subject><subject>Mathematical analysis</subject><subject>Misalignment</subject><subject>Parameter estimation</subject><subject>Polycrystals</subject><subject>Robustness</subject><subject>Scattering cross sections</subject><subject>Series expansion</subject><subject>Standard deviation</subject><subject>Tensors</subject><subject>Wavelength</subject><subject>wavelength‐resolved neutron transmission</subject><subject>Zirconium</subject><issn>1600-5767</issn><issn>0021-8898</issn><issn>1600-5767</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNqFkU1u2zAQRoUiAeo4PUB3BLp2yh-LkpaB0aQNDBRommwFShzaDGRSHVJ2vMsReoocLCcJZXcRIIuuOPzmvZnFZNlnRi8Yo8XXWyYpzQtZcEapKCX7kE3GaDZmJ2_qj9lZCA-UsoTySfZ8SZzfQkc2ENdek-iJb6KyjlgXYYWqI71ClbqAgXhD4hqIRwsuqmi9I9qGiLYZDh8zuPZQjCA8xgFBk953-xb3IaouEIN-Q3YqbQS3iuuXp78IwXfbxDkYIiY3onJhY0MYB4Ue2hScZ6cm6fDp3zvN7q6-_V58ny1_Xv9YXC5nrZBSzCQ3RppCV6ZqaaPzolRNXrba6IbPecN0BQUUpmrKpuLcUC6BVSDpvGyVNsyIafblOLdH_2eAEOsHP6BLK2ueCynyOc_zRLEj1aIPAcHUPdqNwn3NaD2eo353juRUR2dnO9j_X6hvFr_4_XXOhBCvEuKU8Q</recordid><startdate>202106</startdate><enddate>202106</enddate><creator>Vicente Alvarez, Miguel Angel</creator><creator>Laliena, Victor</creator><creator>Malamud, Florencia</creator><creator>Campo, Javier</creator><creator>Santisteban, Javier</creator><general>International Union of Crystallography</general><general>Blackwell Publishing Ltd</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><orcidid>https://orcid.org/0000-0003-4987-2419</orcidid></search><sort><creationdate>202106</creationdate><title>A novel method to obtain integral parameters of the orientation distribution function of textured polycrystals from wavelength‐resolved neutron transmission spectra</title><author>Vicente Alvarez, Miguel Angel ; Laliena, Victor ; Malamud, Florencia ; Campo, Javier ; Santisteban, Javier</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3663-62ff6f7d9f9c0bd578ab58cdfdb242b1d9e7e7f9b8b922f026e19e6048cadf1f3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Bragg edge</topic><topic>crystallographic texture</topic><topic>Crystals</topic><topic>Distribution functions</topic><topic>Integrals</topic><topic>Material properties</topic><topic>Mathematical analysis</topic><topic>Misalignment</topic><topic>Parameter estimation</topic><topic>Polycrystals</topic><topic>Robustness</topic><topic>Scattering cross sections</topic><topic>Series expansion</topic><topic>Standard deviation</topic><topic>Tensors</topic><topic>Wavelength</topic><topic>wavelength‐resolved neutron transmission</topic><topic>Zirconium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Vicente Alvarez, Miguel Angel</creatorcontrib><creatorcontrib>Laliena, Victor</creatorcontrib><creatorcontrib>Malamud, Florencia</creatorcontrib><creatorcontrib>Campo, Javier</creatorcontrib><creatorcontrib>Santisteban, Javier</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Journal of applied crystallography</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Vicente Alvarez, Miguel Angel</au><au>Laliena, Victor</au><au>Malamud, Florencia</au><au>Campo, Javier</au><au>Santisteban, Javier</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A novel method to obtain integral parameters of the orientation distribution function of textured polycrystals from wavelength‐resolved neutron transmission spectra</atitle><jtitle>Journal of applied crystallography</jtitle><date>2021-06</date><risdate>2021</risdate><volume>54</volume><issue>3</issue><spage>903</spage><epage>913</epage><pages>903-913</pages><issn>1600-5767</issn><issn>0021-8898</issn><eissn>1600-5767</eissn><abstract>A novel method to estimate integral parameters of the orientation distribution function (ODF) in textured polycrystals from the wavelength‐resolved neutron transmission is presented. It is based on the expression of the total coherent elastic cross section as a function of the Fourier coefficients of the ODF. This method is broken down in detail for obtaining Kearns factors in hexagonal crystals, and other material properties that depend on the average of second‐ and fourth‐rank tensors. The robustness of the method against three situations was analyzed: effects of sample misalignment, of cutoff value lmax of the series expansion and of experimental standard deviation. While sample misalignment is shown not to be critical for the determination of Kearns factors and second‐order‐rank properties, it can be critical for fourth‐rank and higher‐order tensor properties. The effect of the cutoff value on the method robustness is correlated to the standard deviation of the experimental data. In order to achieve a good estimation of the Fourier coefficients, it is recommended that the experimental standard deviation be around 3–5% of the total scattering cross section of the material for the method to be stable. The method was applied for the determination of Kearns factors from transmission measurements performed at the instrument ENGIN‐X (ISIS) on a Zr–2.5 Nb pressure tube along two sample directions and was shown to be able to estimate Kearns factors with an error below 5%.
The position and shape of Bragg edges in wavelength‐resolved neutron transmission spectra depend on the crystal structure and on the crystallographic texture of the material. This work describes a novel method to obtain integral parameters of the orientation distribution function from these spectra with the aim of estimating material properties.</abstract><cop>5 Abbey Square, Chester, Cheshire CH1 2HU, England</cop><pub>International Union of Crystallography</pub><doi>10.1107/S1600576721003861</doi><tpages>11</tpages><orcidid>https://orcid.org/0000-0003-4987-2419</orcidid><oa>free_for_read</oa></addata></record> |
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subjects | Bragg edge crystallographic texture Crystals Distribution functions Integrals Material properties Mathematical analysis Misalignment Parameter estimation Polycrystals Robustness Scattering cross sections Series expansion Standard deviation Tensors Wavelength wavelength‐resolved neutron transmission Zirconium |
title | A novel method to obtain integral parameters of the orientation distribution function of textured polycrystals from wavelength‐resolved neutron transmission spectra |
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