Improving an insensitive low-energy compound, 1,3,4,6,7,9-hexaazacycl[3.3.3]azine, to be an insensitive high explosive by way of two-step structural modifications
Bibliographic record
Abstract
We improved an insensitive low-energy compound, 1,3,4,6,7,9-hexaazacycl[3.3.3]azine (HAA), to be an insensitive high explosive by a useful approach of two-step structural modifications. First, the three carbon atoms in HAA are substituted by three new nitrogen atoms symmetrically to form a new energetic compound, 1,2,3,4,5,6,7,8,9-nonaazacycl[3.3.3]azine (NAA). Then, introducing three N-oxides into NAA symmetrically generates another new energetic compound, 1,2,3,4,5,6,7,8,9-nonaazacycl[3.3.3]azine-2,5,8-trioxides (NAATO). The energetic properties and sensitivity of NAATO were studied by using density functional theory. The results indicate that NAATO has higher detonation performance than RDX and comparative sensitivity to TNT, indicating that it has outstanding overall performance and may be considered as a potential candidate of insensitive high explosives. Thus, the insensitive low-energy compound HAA was successfully improved to be an insensitive high explosive by the two-step structural modifications.
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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 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 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".