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Record W4398174768 · doi:10.3389/frsfm.2024.1359128

Geometric modeling of phase ordering for the isotropic–smectic A phase transition

2024· article· en· W4398174768 on OpenAlexafffund
David Uriel Zamora Cisneros, Ziheng Wang, Noémie‐Manuelle Dorval Courchesne, Matthew J. Harrington, Alejandro D. Rey

Bibliographic record

VenueFrontiers in Soft Matter · 2024
Typearticle
Languageen
FieldMaterials Science
TopicLiquid Crystal Research Advancements
Canadian institutionsMcGill University
FundersFonds de recherche du Québec – Nature et technologiesNatural Sciences and Engineering Research Council of CanadaConsejo Nacional de Ciencia y Tecnología
KeywordsIsotropyPhase (matter)Phase transitionMaterials scienceCondensed matter physicsTransition (genetics)Statistical physicsPhysicsOpticsChemistryQuantum mechanics

Abstract

fetched live from OpenAlex

Background Liquid crystal (LC) mesophases have an orientational and positional order that can be found in both synthetic and biological materials. These orders are maintained until some parameter, mainly the temperature or concentration, is changed, inducing a phase transition. Among these transitions, a special sequence of mesophases has been observed, in which priority is given to the direct smectic liquid crystal transition. The description of these transitions is carried out using the Landau–de Gennes (LdG) model, which correlates the free energy of the system with the orientational and positional order. Methodology This work explored the direct isotropic-to-smectic A transition studying the free energy landscape constructed with the LdG model and its relation to three curve families: (I) level-set curves, steepest descent, and critical points; (II) lines of curvature (LOC) and geodesics, which are directly connected to the principal curvatures; and (III) the Casorati curvature and shape coefficient that describe the local surface geometries resemblance (sphere, cylinder, and saddle). Results The experimental data on 12-cyanobiphenyl were used to study the three curve families. The presence of unstable nematic and metastable plastic crystal information was found to add information to the already developed smectic A phase diagram. The lines of curvature and geodesics were calculated and laid out on the energy landscape, which highlighted the energetic pathways connecting critical points. The Casorati curvature and shape coefficient were computed, and in addition to the previous family, they framed a geometric region that describes the phase transition zone. Conclusion and significance A direct link between the energy landscape’s topological geometry, phase transitions, and relevant critical points was established. The shape coefficient delineates a stability zone in which the phase transition develops. The methodology significantly reduces the impact of unknown parametric data. Symmetry breaking with two order parameters (OPs) may lead to novel phase transformation kinetics and droplets with partially ordered surface structures.

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: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.896
Threshold uncertainty score0.546

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 head0.027
GPT teacher head0.330
Teacher spread0.303 · 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 designSimulation or modeling
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

Citations9
Published2024
Admission routes2
Has abstractyes

Explore more

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