Independent-atom-model description of multiple ionization of water, methane, and ammonia molecules by proton impact
Bibliographic record
Abstract
We study multiple ionization in proton collisions with water, methane, and ammonia molecules using an independent-atom model. Previous work on total (net) capture and ionization cross sections is extended to treat the multiple-ionization channels explicitly. We present the theoretical framework to treat charge-state correlated processes within the independent-atom-model approach, which uses the geometric screening introduced for different molecular geometries and orientations. A comparison of results is made for the target molecules ${\text{H}}_{2}\text{O}, {\text{CH}}_{4}$, and ${\text{NH}}_{3}$ with an emphasis on $q$-fold electron removal. Coincident measurements of produced molecular fragments can be used to estimate this quantity. We find very good agreement for the model calculations for the water molecule, where data exist for $q=1--4$. For methane we observe reasonable agreement for $q=1,2$ and for ammonia only for $q=1$, i.e., the experimental data show little support for a direct multiple-ionization channel in the latter case.
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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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.002 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.002 |
| Open science | 0.003 | 0.001 |
| Research integrity | 0.002 | 0.001 |
| Insufficient payload (model declined to judge) | 0.004 | 0.001 |
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".