Multiscale model for microstructure evolution in multiphase materials: Application to the growth of isolated inclusions in presence of elasticity
Bibliographic record
Abstract
We present a multiscale model based on the classical lattice time-dependent density-functional theory to study microstructure evolution in multiphase systems. As a first test of the method, we study the static and dynamic properties of isolated inclusions. Three cases are explored: elastically homogeneous systems, elastically inhomogeneous systems with soft inclusions, and elastically inhomogeneous systems with hard inclusions. The equilibrium properties of inclusions are shown to be consistent with previous results: both homogeneous and hard inclusions adopt a circular shape independent of their size, whereas soft inclusions are circular below a critical radius and elliptic above. In all cases, the Gibbs-Thomson relation is obeyed, except for a change in the prefactor at the critical radius in soft inclusions. Under growth conditions, homogeneous inclusions exhibit a Mullins-Sekerka shape instability [W. Mullins and R. Sekerka, J. Appl. Phys. 34, 323 (1963)], whereas in inhomogeneous systems, the growth of perturbations follows the Leo-Sekerka model [P. Leo and R. Sekerka, Acta Metall. 37, 3139 (1989)]. For soft inclusions, the mode instability regime is gradually replaced by a tip-growing mechanism, which leads to stable, strongly out-of-equilibrium shapes even at very low supersaturation. This mechanism is shown to significantly affect the growth dynamics of soft inclusions, whereas dynamical corrections to the growth rates are negligible in homogeneous and hard inclusions. Finally, due to its microscopic formulation, the model is shown to automatically take into account phenomena caused by the presence of the underlying discrete lattice: anisotropy of the interfacial energy, anisotropy of the kinetics, and preferential excitation of shape perturbations commensurate with the rotational symmetry of the lattice.
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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) | 0.000 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 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".