Polymerization of Nitrogen in Ammonium Azide at High Pressures
Bibliographic record
Abstract
By ab initio molecular dynamics simulations, ammonium azide (AA, NH 4 N 3 ) is predicted to be an effective precursor to form polynitrogen. Our simulations at 60 and 90 GPa show that the critical temperatures for nitrogen polymerization are about 2200 and 1600 K, respectively. Compared with molecular nitrogen (110 GPa and 2000 K), the synthesis pressure of polymeric nitrogen in AA significantly lowers. In the obtained polymeric nitrogen compounds, there are kinds of nitrogen backbones: one-dimensional chains, branched chains, and five-membered rings. By annealing simulations at 90 GPa, a one-dimensional pure nitrogen periodic chain is formed. Our finding might open a way for the practical application of polymeric nitrogen compounds as further depressurization simulations at 300 K confirm that both hydrogen-passivated polymeric networks and five-membered rings can be preserved at ambient conditions.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 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) | 0.000 | 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 teacher head, 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".