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.
THE DYNAMICS OF MECHANICAL ACTIVATION IN ENERGETIC MATERIALS
Abstract: Energetic materials (explosives, propellants, and pyrotechnics; EMs) are important functional materials characterised by their ability to instantly release large amounts of energy when initiated. This behaviour makes EMs essential in civilian and defence technologies, spanning mining and construction, transportation, entertainment, and weaponry. Despite nearly a century of research, there is currently no way to know a priori how much energy is needed to initiate a particular EM. With the aim to facilitate the design of safer EMs, we have developed a physics-based model to predict EM reactivity in silico, which is based on understanding how kinetic energy is transferred through the vibrational degrees of freedom in a mechanically shocked EM crystal. Following proof-of-concept VESUVIO measurements, we propose to use VESUVIO to map the structure of the nuclear potential energy surfaces (NEPSs) associated with the reactive moieties of model EMs, whilst simultaneously obtaining critical insight into the anharmonicity of EMs. In particular, we seek to elucidate how NPESs and anharmonicity change with different EM molecular structure, an understanding that will ultimately shape our ability the engineer the chemical features needed to design the reactivity of EMs.
Principal Investigator: Dr Adam Michalchuk
Local Contact: Dr Matthew Krzystyniak
Experimenter: Ms Lucy Smith
Experimenter: Miss Tahlia Palmer
DOI: 10.5286/ISIS.E.RB2610631
ISIS Experiment Number: RB2610631
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2610631-1 | VESUVIO | 11 May 2029 | Download |
| - | VESUVIO | 06 June 2029 | 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 Adam Michalchuk et al; (2026): THE DYNAMICS OF MECHANICAL ACTIVATION IN ENERGETIC MATERIALS , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610631
Data is released under the CC-BY-4.0 license.
