Benchmarking a unified phase field crystal theory of multi-phase transformations
Bibliographic record
Abstract
A recently developed multi-phase Phase Field Crystal (PFC) model [1] based on a classical DFT expansion around a Van der Walls (VdW) fluid is examined.The model's parameterization is shown to reproduce the equilibrium phase diagrams of gold, aluminum and argon obtained from first principles calculations.The model of Ref. [1] is also adapted from its original form in order to enable efficient dynamical simulations.Dynamical simulations of multi-phase structures using this new multi-phase PFC model are demonstrated.iii Abrégé Un modèle multi-phase de Cristal de Champ de Phase (PFC) récemment développé [1], basé sur une expansion DFT classique autour d'un fluide de Van der Walls (VdW), est examiné.Il est montré que la paramétrisation du modèle reproduit les diagrammes de phase d'équilibre de l'or, de l'aluminium et de l'argon obtenus à partir de calculs utilisant les premiers principes.Le modèle original de [1] est également adapté afin de rendre les simulations de la dynamique plus efficaces.De plus, des simulations de la dynamique de structures multi-phases sont démontrées avec l'aide de ce nouveau modèle multi-phase PFC.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 0.001 |
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".