Quantitative results for square gradient models of fluids
Bibliographic record
Abstract
Square gradient models for fluids are extensively used because they are believed to provide a good qualitative understanding of the essential physics. However, unlike elasticity theory for solids, there are few quantitative results for specific (as opposed to generic) fluids. Indeed the only numerical value of the square gradient coefficients for specific fluids have been inferred from attempts to match macroscopic properties such as surface tensions rather than from direct measurement. We employ all-atom molecular dynamics, using the TIP3P and OPLS force fields, to directly measure the coefficients of the density gradient expansion for several real fluids. For all liquids measured, including water, we find that the square gradient coefficient is negative, suggesting the need for some regularization of a model including only the square gradient, but only at wavelengths comparable to the molecular separation of molecules. The implications for liquid-gas interfaces are also examined. Remarkably, the square gradient model is found to give a reasonably accurate description of density fluctuations in the liquid state down to wavelengths close to atomic size.
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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".