A Three-Dimensional Atomistic Kinetic Monte Carlo Study of Dynamic Solute-Interface Interaction
Bibliographic record
Abstract
Abstract. A three-dimensional atomistic Kinetic Monte Carlo model was developed and used to study the interaction between mobile solutes and a migrating interface. While the model was developed with a simplified energetic and topological description, it was also constructed to capture, in the absence of solute, the Burke-Turnbull model for interface migration and, in the presence of solutes, solute segregation to different types of interface sites. After parameterizing the model, simulations were performed to study the relationship between average interface velocity and imposed driving pressure for varying solute concentration and solute diffusivity. While the effect of solute concentration on solute drag pressure was found to be consistent with classical solute drag models, the effect of solute diffusivity was found to give a response not captured by either continuum or previously reported two-dimensional atomistic models. The dependence of maximum drag pressure on solute diffusivity was observed and attributed to the coupling between the structure of a migrating interface and the ability for solute to remain segregated to the interface. ar
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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) | 0.002 | 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 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".