Massively parallel molecular dynamics simulation of formation of ice-crystallite precursors in supercooled water: Incipient-nucleation behavior and role of system size
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Bibliographic record
Abstract
Ice-crystallite precursor formation in supercooled water was studied via molecular dynamics for systems ranging from ∼10^{6} to 8.6×10^{6} molecules, using a tetrahedrally biased single-site "mW" model. This has established system-size effects in the early onset of nucleation, so as to study often-transient precursors' beguiling propensity to "flicker" into instantaneous locally ordered molecular arrangements redolent of ice. In addition, the adoption of solidlike and liquidlike bimodal local configurational-energy distributions was observed, characteristic of early nucleation. Larger systems favored a higher probability of precursor formation, although such ones were not usually longer lived relative to those in smaller systems (which themselves are rather transient). It was concluded tentatively that subtle effects of differences in systemwide density fluctuations and accessible lower-frequency modes tend to favor precursor formation in larger systems, although not necessarily the precursor's kinetic stability.
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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 | 0.000 | 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) | 0.000 | 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 it