ISIS Neutron and Muon Source Data Journal

High-Pressure Studies of Pentaerythritol Tetranitrate (PETN)

Abstract: This proposal seeks to use powder neutron diffraction to explore the high-pressure structural behaviour of PETN (pentaerythritol tetranitrate), a crystalline material that is extensively used as an ingredient in many high explosive formulations such as Semtex. It has attracted considerable scientific attention due to its anisotropic sensitivity to shock-wave initiation. The study aims to determine the crystal structures of two high-pressure phases, PETN-III and PETN-IV, which have been previously identified at pressures above 8.5 GPa, but which have not been fully characterised. Determination of these structures will provide insight into the observed anisotropic sensitivity of PETN to shock-wave initiation. The results will also enable computational studies to explore the sensitivities of the different polymorphs of PETN towards initiation by shock and impact using a recently developed vibrational up-pumping model. These studies will therefore improve our understanding of the factors that influence the sensitivity to energetic materials to initiation by shock and impact, thereby enabling the subsequent design of new, safer energetic materials that are less prone to accidental initiation during manufacture, storage, and transport. The experiment will also provide excellent training in high-pressure neutron diffraction for a PhD student appointed as an ISIS Facility Development Studentship (?Energetic Materials at Extreme Conditions?).

Experimenter: Miss Angela Fong
Experimenter: Dr Ashfaq Afsar
Experimenter: Professor Carole Morrison
Experimenter: Dr Adam Michalchuk
Experimenter: Mr Qi Feng Chan
Experimenter: Professor Colin Pulham
Local Contact: Dr Craig Bull

DOI: 10.5286/ISIS.E.RB2310148

ISIS Experiment Number: RB2310148

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Miss Angela Fong et al; (2023): High-Pressure Studies of Pentaerythritol Tetranitrate (PETN), STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2310148

Data is released under the CC-BY-4.0 license.