Analysis of the specific vibration modes of goethite (α-FeOOH) by terahertz spectroscopy and calculations of the vibration frequencies of a single molecule using density functional theory
Bibliographic record
Abstract
Steel sheet with an insulator to prevent corrosion is used for various purposes including in building and car manufacture. Terahertz waves, for which insulators are highly permeable and metal surfaces are highly reflective, have been studied in order to establish a new inspection technology for these steel plates. In our previous research, spectroscopic measurements in the 1.0-4.0 THz range, generated by a GaP crystal, were carried out in order to collect information on the infrared activity of the metal corrosion products formed on Zn-Al hot-dip galvanized steel sheet. In the previous work, the infrared activity of Fe-based corrosion products was not examined. To examine these products, we conducted THz spectroscopy on goethite (α-FeOOH) in the range from 8.4 to 11.0 THz, generated by a GaSe crystal. The results of Attenuated Total Reflectance (ATR) FTIR spectral measurements and molecular vibration calculations were analyzed, on the basis of which the natural vibration modes of α-FeOOH in the THz frequency range were assigned.
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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 | 0.000 |
| 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 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".