Structure–property predictions in metallic glasses: Insights from data-driven atomistic simulations
Bibliographic record
Abstract
Abstract The field of metallic glasses has been an active area of research owing to the complex structure–property correlations and intricacies surrounding glass formation and relaxation. This review provides a thorough examination of significant works that elucidate the structure–property correlations of metallic glasses, derived from detailed atomistic simulations coupled with data-driven approaches. The review starts with the theoretical and fundamental framework for understanding important properties of metallic glasses such as transition temperatures, relaxation phenomena, the potential energy landscape, structural features such as soft spots and shear transformation zones, atomic stiffness and structural correlations. The need to understand these concepts for leveraging metallic glasses for a wide range of applications such as performance under tensile loading, viscoelastic properties, relaxation behavior and shock loading is also elucidated. Finally, the use of machine learning algorithms in predicting the properties of metallic glasses along with their applications, limitations and scope for future work is presented. Graphical abstract
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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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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".