Uniaxial order parameters associated with surface SFG spectra. I. Distributions with cylindrical symmetry
Bibliographic record
Abstract
Order parameters provide a useful qualitative and quantitative description of the distribution of molecules in ordered materials as they are independent of the shape of the orientation distribution. For samples that exhibit uniaxial ordering with no twist preference, extracting ⟨P2⟩ from polarized IR absorption data is common and obtaining ⟨P2⟩ and ⟨P4⟩ from Raman data has also been well-described. However, such an approach is not routine in the analysis of surface sum-frequency generation (SFG) spectra. We first provide a description whereby elements of the second-order susceptibility can be expressed in terms of the order parameters ⟨P1⟩ and ⟨P3⟩. We then illustrate how experimental data would be used to extract those parameters and how a most probable orientation distribution function could be determined by subsequently maximizing the information entropy. Finally, features of this distribution function are explored.
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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 | 0.001 | 0.002 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.002 | 0.001 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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".