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Abstract / Description of output
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 has been postulated to form 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.
Original language | English |
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Article number | 124115 |
Journal | The Journal of Chemical Physics |
Volume | 158 |
Issue number | 12 |
Early online date | 10 Mar 2023 |
DOIs | |
Publication status | Published - 28 Mar 2023 |
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Dive into the research topics of 'Is the impact sensitivity of RDX polymorph dependent?'. Together they form a unique fingerprint.Projects
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Ab initio prediction of new energetic materials with low impact sensitivities
15/11/19 → 14/11/23
Project: Research