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Record W2944668812 · doi:10.1039/c9cp01272a

Coherent phase equilibria of systems with large lattice mismatch

2019· article· en· W2944668812 on OpenAlexafffund
Anh Thu Phan, Aïmen E. Gheribi, Patrice Chartrand

Bibliographic record

VenuePhysical Chemistry Chemical Physics · 2019
Typearticle
Languageen
FieldMaterials Science
TopicSolidification and crystal growth phenomena
Canadian institutionsUniversité de MontréalPolytechnique Montréal
FundersNatural Sciences and Engineering Research Council of CanadaCanada Foundation for Innovation
KeywordsLattice (music)Phase (matter)Statistical physicsMaterials sciencePhysicsCondensed matter physicsQuantum mechanics

Abstract

fetched live from OpenAlex

In many metallurgical applications, an accurate knowledge of miscibility gaps and spinodal decompositions is highly desirable. Some binary systems where the main constituents of the same crystal structures have similar lattice parameters (less than 15% difference) reveal a composition, temperature shift of the miscibility gap due to lattice coherency. So far, the well-known Cahn's approach is the only available calculation method to estimate the coherent solid state phase equilibria. Nevertheless, this approach shows some limitations, in particular it fails to predict accurately the evolution of phase equilibria for large deformation, i.e. the large lattice parameter difference (more than 5%). The aim of this study is to propose an alternative approach to overcome the limits of Cahn's method. The elastic contribution to the Gibbs energy, representing the elastic energy stored in the coherent boundary, is formulated based on the linear elasticity theory. The expression of the molar elastic energy corresponding to the coherency along both directions [100] and [111] has been formulated in the small and large deformation regimes. Several case studies have been examined in cubic systems, and the proposed formalism is showing an appropriate predictive capability, making it a serious alternative to the Cahn's method. The present formulation is applied to predict phase equilibria evolution of systems under other stresses rather than only those induced by the lattice mismatch.

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.

How this classification was reachedexpand

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 categoriesnone
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 score0.008
Threshold uncertainty score0.834

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)0.0000.000

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 head0.014
GPT teacher head0.261
Teacher spread0.247 · 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

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations8
Published2019
Admission routes2
Has abstractyes

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