Bibliographic record
Abstract
In this paper, we report a molecular simulation study exploring the crystal growth behavior of H(2)S hydrates within two-phase (H(2)S hydrate crystal and H(2)S aqueous solution) and three-phase (H(2)S hydrate crystal, liquid H(2)S, and H(2)S aqueous solution) systems. The microscopic mechanisms of growth, as well as the interfacial properties during the heterogeneous crystal growth process, are probed. We find that the H(2)S hydrate can be grown at a higher rate than methane hydrates under comparable conditions (Vatamanu, J.; Kusalik, P. G. J. Phys. Chem. B 2006, 110, 15896). The three-phase simulations, which also allow us to identify the simulation conditions on the experimental phase diagram, demonstrate that the present models reasonably reproduce the phase behavior of this system. We find that the crystal interface has a strong affinity for water molecules. We observed a relatively low level of defects in the newly formed H(2)S hydrate crystal.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 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".