Effect of transition-elements substitution on mechanical properties and electronic structures of B2-AlCu compounds
Bibliographic record
Abstract
The first-principles calculations have been performed to predict the effect of transition-elements substitution on mechanical properties and electronic structures of B2-AlCu compounds. The results show that Zn, Cd, La and Hg are preferred to replace Al atom, while other transition elements are preferred to replace Cu atom. Among the mechanically stable AlCu-TM compounds, the resistance of axial deformation is greater than that of shear deformation. According to Poisson's ratio and Pugh criteria, all compounds show ductility. The compounds of Al8Cu7Fe, Al8Cu7Tc and Al8Cu7Re exhibit excellent Young's modulus and Vickers hardness in fourth, fifth and sixth periods, respectively. The bulk moduli of all AlCu-TM compounds indicate a low degree of isotropic deviation, while the shear moduli have a large anisotropy. The analysis of the electronic structures of Al8Cu7Fe, Al8Cu7Tc and Al8Cu7Re demonstrates that metal bond and covalent bond are mixed, and the properties of covalent bond between TM and Cu are weak.
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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 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.000 |
| Insufficient payload (model declined to judge) | 0.003 | 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".