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.
Neutron Compton Scattering- augmented Neutron Diffraction
Abstract: Here we propose to integrate the anharmonic BC method with NCS-determined NMD, using 3 different types of information obtained from 3 different sources: (1) ADPs, as the result of single crystal structure refinement using SXD data; (2) from lattice expansion obtained from le Bail fits to measured VESUVIO powder diffraction patterns, and (3) NMDS obtained from Compton data recorded on VESUVIOAs a test system, we propose to measure Hexamethylenetetramine (HMT), (CH2)6N4. It is a relatively simple molecule with a number of industrial applications. Moreover, it forms a well-characterised crystal structure with well-known mode frequencies and the Gruneisen parameter values.
Principal Investigator: Dr Silvia Capelli
Experimenter: Dr Matthew Krzystyniak
DOI: 10.5286/ISIS.E.RB1820006
ISIS Experiment Number: RB1820006
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.98003307 | VESUVIO | 10 October 2021 | Download |
| 10.5286/ISIS.E.98995729 | VESUVIO | 11 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 Silvia Capelli et al; (2018): Neutron Compton Scattering- augmented Neutron Diffraction, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820006
Data is released under the CC-BY-4.0 license.
