Understanding the Structure Factor and Isothermal Compressibility of Ambient Water in Terms of Local Structural Environments
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Bibliographic record
Abstract
We determine contributions to the structure factor of ambient water (modeled using the TIP4P/2005 potential) from molecules with different local structural environments, distinguished based on a tetrahedral order parameter. The small wavenumber behavior of the partial structure factors indicates the presence of effective attractive interactions between molecules with similar local environments and effective repulsive interactions between molecules with different local environments. These effective interactions lead to significant concentration fluctuations under ambient conditions. The concentration fluctuations correlate with density fluctuations, and provide an explanation for the recently reported (Huang et al. Proc. Natl. Acad. Sci. U.S.A.2009, 36, 15214) increase in the structure factor at small wavenumber, as well as for the well-known anomalous temperature dependence of the isothermal compressibility.
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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