Liquid-Liquid Phase Transition in Simulated Supercooled Water Nanodroplets
Bibliographic record
Abstract
Using simulations, we demonstrate how a liquid-liquid phase transition (LLPT) manifests in supercooled water nanodroplets. Selecting an interaction potential for which a LLPT occurs in the bulk liquid, we conduct simulations of supercooled water nanodroplets having between 1000 and 80000 molecules. We show that as the droplet size decreases, the Laplace pressure grows large enough to drive the droplets through the transition from the low-density to the high-density liquid phase, and that all droplets in this size range are large enough to have cores exhibiting the structure and properties of bulk water. To guide experiments, we estimate the range of values for the critical pressure of the LLPT in real water that can be observed using nanodroplets, and propose structural and dynamical measures by which the LLPT in nanodroplets can be detected.
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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 | 0.000 | 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 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".