Molecular dynamics study of the ordering of carbon in highly supersaturated<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>α</mml:mi><mml:mtext>-Fe</mml:mtext></mml:mrow></mml:math>
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
A recently developed Fe-C interatomic potential has been used to investigate carbon in highly supersaturated $\ensuremath{\alpha}$ iron with an emphasis on the possible ways in which carbon can arrange itself on the octahedral sites of the tetragonally distorted $\ensuremath{\alpha}$-iron lattice. Focusing particularly on the composition ${\text{Fe}}_{16}{\text{C}}_{2}$, the embedded atom method potential used gives the same ground-state structure of ${\text{Fe}}_{16}{\text{C}}_{2}$ as density-functional-theory calculations. Moreover, when computing C-C interactions between two carbon atoms at 0 K with energy minimization, the preferred separation distance corresponds exactly to the octahedral site positions expected in ${\text{Fe}}_{16}{\text{C}}_{2}$. It has been shown with molecular dynamics that the carbon atoms in ${\text{Fe}}_{16}{\text{C}}_{2}$ change how they order on octahedral sites during heating and during cooling. Finally, when investigating the interaction energy of ${\text{Fe}}_{1\ensuremath{-}x}{\text{C}}_{x}$ for different carbon compositions, it is found that there is a clear minimum at $x=0.11$ for the fully ordered structure, corresponding to ${\text{Fe}}_{16}{\text{C}}_{2}$ composition. The results of these calculations are discussed with particular reference to carbon ordering in ferrous martensite.
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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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.001 |
| Meta-epidemiology (broad) | 0.000 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| 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