MECHANICAL PROPERTIES AND TOPOLOGICAL CHANGES IN A <font>Fe</font>-CRYSTAL WITH FIXED AND MIGRATING H-ATOM: A NUMERICAL STUDY
Bibliographic record
Abstract
A numerical study, within the framework of molecular statics, is conducted to assess the effect of a fixed and migrating hydrogen atom on the stress–strain data and the topological changes taking place in a 3D BCC α-iron crystal subjected to a tensile elongation. A pair-wise Morse potential is used to describe the interatomic forces. The results for a crystal with 2324 iron atoms show that the presence of a hydrogen atom, either migrating or fixed, produces relatively small effect on the stress–strain data within the elastic and some plastic range of loading. However, the topological changes, represented by the changes in the nearest neighbors for each atom within the cut-off distance after each displacement increment, are substantially different. Similarly, a comparison of the changes in the atomic potential energies when the sudden drop in stresses takes place shows differences between the two cases.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 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".