Thermodynamic equivalence between the Lennard-Jones and hard-core attractive Yukawa systems
Bibliographic record
Abstract
Thermodynamic properties of the Lennard-Jones (LJ) fluid are investigated by studying a system of particles interacting with a potential of hard-core plus attractive Yukawa tail (HCY).Due to the similarity of the LJ and the HCY potentials in their overall form, it is worthwhile seeking to approximate the LJ potential in much the same way that the hard-sphere reference potential has been used.The study consists in describing the thermodynamics of the LJ fluid in terms of the equivalent HCY system, whose properties are known accurately, by means of mapping the thermodynamic quantities for the HCY potential parameters.The method is feasible owing to a convenient analytical expression for the Helmholtz free energy in the mean-spherical approximation expanded in powers of the inverse temperature.Two different procedures are used to determine the parameters of the HCY potential as a function of the thermodynamic states: one is based on the simultaneous fits of pressure and internal energy of the LJ system, and the other uses the concept of collision frequency.The reasonable homogeneity of the results in both procedures of mapping makes the HCY potential a very good reference system whose theoretical expressions can be used confidently to predict the thermodynamic properties of systems with more realistic potentials.
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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) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.000 | 0.001 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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".