Is the impact sensitivity of RDX polymorph dependent?

J Chem Phys

School of Chemistry and EaSTCHEM Research School, University of Edinburgh, David Brewster Road, The King's Buildings, Edinburgh EH9 3FJ, United Kingdom.

Published: March 2023

Impact-sensitivity predictions based on the vibrational up-pumping model show a strong polymorph dependency for RDX and highlight that one of the high-pressure forms, which forms during shock-wave experiments, is appreciably more susceptible to mechanical initiation. The origin of the predicted impact sensitivity variation can be attributed to vibrational mode hardening by pressure and to differences in the molecular conformation of RDX in the four polymorphs studied. These polymorphs present different distributions of molecular vibrations within their respective up-pumping windows, which leads to their varying ability to up-pump and trap the vibrational energy that arises from mechanical insult.

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http://dx.doi.org/10.1063/5.0145259DOI Listing

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