Two dimensional phase field crystal study of thermo-density coupling: Thermal expansion, recalescence, and plasticity
Bibliographic record
Abstract
In this article we present a thermal coupling to a recently published two-time scale phase field crystal model (MPFC) to describe latent heat contributions of systems undergoing rapid phase transformations. We call this formulation Temperature Field Crystal (TFC), which permits the study of coupled density, vacancy and temperature field dynamics at the length-scale of atomic ordering. Following a derivation of the new thermo-density coupled MPFC model, several physical properties of the model are demonstrated. We reproduce the thermo-density interface profiles encountered in the steady state solidification growth limit. We further illustrate the existence of a vacancy concentration inherent in the phase field crystal amplitude. It is shown that with a frozen thermal gradient, of the form often used in directional solidification studies, a vacancy gradient is established along with an associated thermal stress. In particular, we show that within the isochoric limit of the model, effects of thermal expansion are incorporated through the change of amplitude with respect to temperature, rather than by increasing the equilibrium lattice length. The TFC model is then applied to the study of select solidification processes. It is shown that the release of latent heat during recalescence is accompanied by a change in the average thermal pressure. Further, we illustrate, to our knowledge for the first time, that modulations of the recalescence curve can be indicative of plastic deformation, dislocation activity, and phonon scattering. Notably, the temperature evolution may be used as a marker for the grain distribution attained from nucleation following a system quench.
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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 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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".