Atomistic simulations of the effect of helium clusters on grain boundary mobility in iron
Bibliographic record
Abstract
A series of molecular dynamics simulations was performed in this work to investigate the kinetic interaction between helium clusters and grain boundaries in iron. Helium cluster formation and size distributions were found to be markedly different in the bulk compared to the region of a stationary boundary. Upon reaching a steady-state cluster distribution, the spatial fluctuation of cluster-enriched boundaries was analyzed to determine the grain boundary mobility using the random walk method. Segregated clusters reduced the boundary mobility, the drag effect of clusters increasing as the bulk solute concentration increases. The drag effect was further rationalized by employing Cahn's solute drag model using the effective binding energy of He clusters and the grain boundary diffusivity of a single He atom, their magnitudes having been determined from the segregation level and from monitoring the trajectory of a solute atom in the investigated grain boundaries, respectively. The model is found to provide a satisfactory explanation of the simulation results in the zero velocity limit.
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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 | 0.002 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 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 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".