ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Phonons from diffraction and normal mode analysis in HMT
Abstract: With the overall aim of extending the information derivable in a neutron single crystal diffraction experiment beyond the static structure, we are proposing to perform a multi-temperature study of the model system hexamethylenetetramine (HMT) both in the hydrogenated and deuterated form. Two main aspects will be studied: 1) fitting a model potential that include phonons to the diffuse scattering at 300K and 2) perform a full normal mode analysis on data at 10K, 50K, 120K,180K and 250K to benchmark the ability to carry out a similar analysis using powder data from HRPD. The mean square displacements obtained in single crystal diffraction will also be compared to those derived in neutron Compton scattering on VESUVIO.
Principal Investigator: Dr Matthias Gutmann
Experimenter: Dr Dominic Fortes
Experimenter: Dr Silvia Capelli
DOI: 10.5286/ISIS.E.RB1820602
ISIS Experiment Number: RB1820602
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.98004685 | SXD | 08 October 2021 | Download |
| 10.5286/ISIS.E.99254147 | SXD | 10 March 2022 | Download |
| 10.5286/ISIS.E.RB1820602-3 | SXD | 18 December 2021 | Download |
| - | SXD | 08 October 2021 | Download |
| - | SXD | 26 October 2021 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
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Data Citation
The recommended format for citing this dataset in a research
publication is as:
[author], [date], [title], [publisher],
[doi]
For Example:
Dr Matthias Gutmann et al; (2018): Phonons from diffraction and normal mode analysis in HMT, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820602
Data is released under the CC-BY-4.0 license.
