Molecular dynamics based study on the effect of hydrogen on themechanical properties of Fe-C system
Bibliographic record
Abstract
Hydrogen Embrittlement (HE) refers to the degradation of mechanical properties in metals due to the presence of absorbed hydrogen (H) atoms, as these are small and can easily diffuse into the solid metals.As a result, the metallic components can fail catastrophically during service due to HE. Steels susceptibility to HE is one of the main topics in current HE research as H has a high mobility in iron (Fe).In this paper, single crystal from the Fe-C and Fe-C-H systems are modelled using molecular dynamics (MD), in order to study the effects of H on the mechanical properties of the Fe-based materials.The single crystal is subjected to a tensile load in the longitudinal axis for the time necessary to detect differences in the deformation behavior of the material.Four main results are discussed: stress-strain response, change in phase distribution, change in vacancy count and dislocation density.Overall, results show a degradation in the mechanical properties with the random addition of H atoms into the Fe-C system, this degradation being more pronounced as H concentration increases: the peak stress and corresponding strain are reduced, vacancy formation is increased, and dislocation density is reduced.Additionally, a change in phase distribution with applied strain is observed.
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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 | 0.001 | 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) | 0.004 | 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".