Temperature‐dependent self‐trapped exciton relaxation in alkali halides: molecular dynamics study
Bibliographic record
Abstract
Abstract New molecular dynamics (MD) simulations of the relaxation of self‐trapped excitons (STE) in NaCl have been performed with a cluster size of 1055 atoms at temperatures in the range 15 K to 300 K. For the first time, significantly different relaxation end products are obtained at a given temperature depending on the choice of the intitial atomic positions and velocities. From 15 K to 65 K, either the STE or a Frenkel defect pair can be found at the end of a few picoseconds. Between 65 K and 150 K only Frenkel defects are found after the same interval. At 250 K and above, STEs and Frenkel defects are again both found as end products after a few picoseconds, presumably as a result of large amplitude atomic motions which hinder the coherent process to be discussed. Within a limited statistical basis, it has been possible to estimate a defect formation rate, which peaks around 100 K. The result is interpreted as an indication of stochastic resonance. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
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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".