The electronic mechanism of the / interface strength of Ir-based alloys
Bibliographic record
Abstract
The electronic structures of the γ/γ' interface for two-phase Ir-based alloys (Ir/Ir3Ta and Ir/Ir3Ti) have been investigated by performing first-principles quantum mechanics DMol3 (a type of density functional theory for molecules) calculations. The Mayer bond order (MBO) is used to represent the shear and cohesion strengths of the interface by a local sum of the horizontal and vertical MBOs. By comparison with those for single-crystal Ir, the results show that both the cohesive and shear strengths of the γ/γ' interface for the Ir/Ir3Ta alloy increase. The cohesive strength of the interface for the Ir/Ir3Ti alloy increases, whereas the shear strength of the interface for Ir/Ir3Ti decreases. The electron charge density, the Hirshfeld charge, and orbital charge transfers are also calculated and analysed. An electronic mechanism for the γ/γ' interface strength of Ir-based alloys is then suggested.
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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".