Thermodensity coupling in phase-field-crystal-type models for the study of rapid crystallization
Why this work is in the frame
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Bibliographic record
Abstract
We self-consistently derive a formalism that couples a phase field crystal (PFC) density field to thermal transport. It yields a theory for nonuniform transient temperature and density evolution, and includes local latent heat release during atomic rearrangements of the PFC density field. The basic formalism is applied to the original PFC model, demonstrating its capacity to capture heat transfer and recalescence in solidification. With an aim towards consistently incorporating temperature and other thermodynamic variables into PFC modeling, a new classical density field theory for solid/liquid/vapor systems is then derived. It presents a different approach to those used in the PFC literature while retaining the major advantages that have become the hallmark of PFC modeling; the new model is also based entirely on physical density, temperature, and pressure scales. We end the paper by applying the thermal-density coupling formalism to this new multiphase density functional theory/PFC model.
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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 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 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) | 0.000 | 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 it