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Record W4391275476 · doi:10.1016/j.actamat.2024.119712

Two dimensional phase field crystal study of thermo-density coupling: Thermal expansion, recalescence, and plasticity

2024· article· en· W4391275476 on OpenAlex
Duncan Burns, Nikolas Provatas, Martin Grant

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueActa Materialia · 2024
Typearticle
Languageen
FieldMaterials Science
TopicSolidification and crystal growth phenomena
Canadian institutionsMcGill University
FundersNatural Sciences and Engineering Research Council of CanadaFonds de recherche du Québec – Nature et technologiesAlliance de recherche numérique du Canada
KeywordsRecalescenceMaterials scienceVacancy defectIsochoric processNucleationCondensed matter physicsThermodynamicsLatent heatPhase (matter)AlloyComposite materialPhysics

Abstract

fetched live from OpenAlex

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.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.013
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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.

Opus teacher head0.024
GPT teacher head0.294
Teacher spread0.270 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it