The correction of Inelastic Neutron Scattering data of organic samples using the Average Functional Group Approximation
The use of the Average Functional Group Approximation for self-shielding corrections at inelastic neutron spectrometers is discussed. By taking triptindane as a case study, we use the above-mentioned approximation to simulate a synthetic dynamic structure factor as measured on an indirect-geometry s...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2022-01-01
|
| Series: | EPJ Web of Conferences |
| Online Access: | https://www.epj-conferences.org/articles/epjconf/pdf/2022/16/epjconf_qens-wins2022_02005.pdf |
| _version_ | 1811189191922417664 |
|---|---|
| author | Preziosi Enrico Andreani Carla Romanelli Giovanni Senesi Roberto |
| author_facet | Preziosi Enrico Andreani Carla Romanelli Giovanni Senesi Roberto |
| author_sort | Preziosi Enrico |
| collection | DOAJ |
| description | The use of the Average Functional Group Approximation for self-shielding corrections at inelastic neutron spectrometers is discussed. By taking triptindane as a case study, we use the above-mentioned approximation to simulate a synthetic dynamic structure factor as measured on an indirect-geometry spectrometer, as well as the related total scattering cross section as a function of incident neutron energy and sample temperature, and the transmission spectra depending on the sample thickness. These quantities, obtained in a consistent way from the Average Functional Group Approximation, are used to calculate the energy-dependent self-shielding correction affecting the sample under investigation. The impact on the intensities of low-energy vibrational modes is discussed, showing that at typical experimental conditions the sample-dependent attenuation factor is about 15% higher compared to the correction at higher energies. |
| first_indexed | 2024-04-11T14:30:47Z |
| format | Article |
| id | doaj.art-49db873cba1544fda2960de9e81839aa |
| institution | Directory Open Access Journal |
| issn | 2100-014X |
| language | English |
| last_indexed | 2024-04-11T14:30:47Z |
| publishDate | 2022-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | EPJ Web of Conferences |
| spelling | doaj.art-49db873cba1544fda2960de9e81839aa2022-12-22T04:18:36ZengEDP SciencesEPJ Web of Conferences2100-014X2022-01-012720200510.1051/epjconf/202227202005epjconf_qens-wins2022_02005The correction of Inelastic Neutron Scattering data of organic samples using the Average Functional Group ApproximationPreziosi Enrico0Andreani Carla1Romanelli Giovanni2Senesi Roberto3Physics Department and NAST Centre, Università degli Studi di Roma “Tor Vergata”Physics Department and NAST Centre, Università degli Studi di Roma “Tor Vergata”Physics Department and NAST Centre, Università degli Studi di Roma “Tor Vergata”Physics Department and NAST Centre, Università degli Studi di Roma “Tor Vergata”The use of the Average Functional Group Approximation for self-shielding corrections at inelastic neutron spectrometers is discussed. By taking triptindane as a case study, we use the above-mentioned approximation to simulate a synthetic dynamic structure factor as measured on an indirect-geometry spectrometer, as well as the related total scattering cross section as a function of incident neutron energy and sample temperature, and the transmission spectra depending on the sample thickness. These quantities, obtained in a consistent way from the Average Functional Group Approximation, are used to calculate the energy-dependent self-shielding correction affecting the sample under investigation. The impact on the intensities of low-energy vibrational modes is discussed, showing that at typical experimental conditions the sample-dependent attenuation factor is about 15% higher compared to the correction at higher energies.https://www.epj-conferences.org/articles/epjconf/pdf/2022/16/epjconf_qens-wins2022_02005.pdf |
| spellingShingle | Preziosi Enrico Andreani Carla Romanelli Giovanni Senesi Roberto The correction of Inelastic Neutron Scattering data of organic samples using the Average Functional Group Approximation EPJ Web of Conferences |
| title | The correction of Inelastic Neutron Scattering data of organic samples using the Average Functional Group Approximation |
| title_full | The correction of Inelastic Neutron Scattering data of organic samples using the Average Functional Group Approximation |
| title_fullStr | The correction of Inelastic Neutron Scattering data of organic samples using the Average Functional Group Approximation |
| title_full_unstemmed | The correction of Inelastic Neutron Scattering data of organic samples using the Average Functional Group Approximation |
| title_short | The correction of Inelastic Neutron Scattering data of organic samples using the Average Functional Group Approximation |
| title_sort | correction of inelastic neutron scattering data of organic samples using the average functional group approximation |
| url | https://www.epj-conferences.org/articles/epjconf/pdf/2022/16/epjconf_qens-wins2022_02005.pdf |
| work_keys_str_mv | AT preziosienrico thecorrectionofinelasticneutronscatteringdataoforganicsamplesusingtheaveragefunctionalgroupapproximation AT andreanicarla thecorrectionofinelasticneutronscatteringdataoforganicsamplesusingtheaveragefunctionalgroupapproximation AT romanelligiovanni thecorrectionofinelasticneutronscatteringdataoforganicsamplesusingtheaveragefunctionalgroupapproximation AT senesiroberto thecorrectionofinelasticneutronscatteringdataoforganicsamplesusingtheaveragefunctionalgroupapproximation AT preziosienrico correctionofinelasticneutronscatteringdataoforganicsamplesusingtheaveragefunctionalgroupapproximation AT andreanicarla correctionofinelasticneutronscatteringdataoforganicsamplesusingtheaveragefunctionalgroupapproximation AT romanelligiovanni correctionofinelasticneutronscatteringdataoforganicsamplesusingtheaveragefunctionalgroupapproximation AT senesiroberto correctionofinelasticneutronscatteringdataoforganicsamplesusingtheaveragefunctionalgroupapproximation |