Continuous Thermodynamic Integration in Field‐Theoretic Simulations of Structured Polymers
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Bibliographic record
Abstract
This work explores the use of continuous thermodynamic integration in field‐theoretic simulations of a symmetric diblock copolymer melt. Free energies of the lamellar and disorder phases are evaluated by thermodynamic integration from a reference state (an Einstein crystal, λ = 0) to a diblock copolymer (λ = 1). This is followed by integration over the interaction parameter, χ b , to locate the order–disorder transition (ODT). Then the equilibrium lamellar spacing and free energy cost of stretching and compressing lamellae are examined. The ODT, lamellar spacing, and compression modulus are consistent with previous calculations, though found faster and more precisely. The above quantities do not depend on simulation box size, suggesting that finite‐size effects are small and simulating two lamellar periods is sufficient to accurately evaluate bulk behavior. Furthermore, the statistical uncertainty in the ODT increases quickly with system size, suggesting that small systems may lead to more precise results.
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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) | 0.001 | 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 it