Discovery of energetic-energetic cocrystal polymorphs with high-energy, low-sensitivity
Bibliographic record
Abstract
Herein, a first example of energetic-energetic cocrystal polymorphs with a 1:1 molar ratio was discovered by cocrystallizing CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) with 1,3-DNP (1,3-dinitropyrazole). These two energetic cocrystal polymorphs (cocrystal 1 and cocrystal 2 ) exhibit distinct crystal packing styles, which leads to significant variations in their physicochemical properties. Notably, cocrystal 2 has a high density of 1.963 g∙cm -3 at 170 K, exhibiting high detonation performances (9187 m∙s -1 ; 38.68 GPa) comparable to HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) meanwhile displaying an improved safety (10 J) relative to RDX (1,3,5-trinitro-1,3,5-triazinane), making it a potential high-energy, low-sensitivity energetic material. This work opens up a new strategy to deeply tune properties of energetic materials by constructing energetic-energetic cocrystal polymorphs. These energetic cocrystal polymorphs represent a new field of energetic materials that has not yet been studied.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".