Studies of the structure and the atomic diffusion properties of the Σ = 5 [001] twist GB in B2-type intermetallic compound NiAl
Bibliographic record
Abstract
The structural properties, the formation energies and the atoms’ diffusion behaviors by vacancy mechanism near the Σ = 5 [001] twist GB of the B2-type intermetallic compound NiAl have been investigated by using the modified analytical embedded-atom method and a molecular dynamics simulation. Both the largest displacement and rippling effect occur at the first layer near the GB. The Ni vacancies at uncoincident sites are most easily formed on the first and second layers of the Ni- and Al-terminations, respectively. Furthermore, the Ni vacancy at an uncoincident site on the second layer of the Al-termination tends to migrate to the coincident Ni site of the first layer of the Ni-termination along a six-step jump path. The Ni vacancies at either the coincident or uncoincident site of the first layer tend to migrate in the first layer and finally return to their original site. Therefore, there is a collective tendency for the Ni vacancies to appear in the GB without local disorder.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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 | 0.000 | 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) | 0.001 | 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".