High-pressure studies of energetic materials

DOI

This proposal seeks to identify and characterise high-pressure polymorphs of the energetic materials hydroxylammonium perchlorate, CL-20, diaminodinitroethene (FOX-7), and nitrotriazolone. The proposal will also investigate the response of intermolecular interactions in the crystal structures to high pressures. These studies will complement spectroscopic and X-ray diffraction measurements made in Edinburgh and at the SRS Daresbury Laboratory. The results will be of direct interest to those in the energetics community seeking to predict and model the properties and performance of these materials. Theorists in chemistry, physics and materials science will find the high-pressure data of crucial importance for testing ab initio crystal-structure predictions and molecular dynamics simulation.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24003319
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24003319
Provenance
Creator Dr David Allan; Dr Iain Oswald; Professor Colin Pulham; Dr Bill Marshall; Mr Francis
Publisher ISIS Neutron and Muon Source
Publication Year 2011
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences; Physics
Temporal Coverage Begin 2008-02-14T06:40:53Z
Temporal Coverage End 2008-02-18T23:41:23Z