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Record W4413431935 · doi:10.1063/5.0280451

Glassy dynamics and a growing structural length scale in supercooled nanoparticles

2025· article· en· W4413431935 on OpenAlexafffund
Weikai Qi, Shreya Tiwary, Richard K. Bowles

Bibliographic record

VenueThe Journal of Chemical Physics · 2025
Typearticle
Languageen
FieldMaterials Science
TopicMaterial Dynamics and Properties
Canadian institutionsUniversity of Saskatchewan
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsSupercoolingScale (ratio)Materials scienceDynamics (music)Length scaleMolecular dynamicsNanoparticleChemical physicsNanotechnologyStatistical physicsChemistryPhysicsThermodynamicsGeographyComputational chemistryCartographyMechanics

Abstract

fetched live from OpenAlex

We use molecular dynamics simulation to study the relationship between structure and dynamics in supercooled binary Lennard-Jones nanoparticles over a range of particle sizes. The glass transition temperature of the nanoparticles is found to be significantly lowered relative to the bulk, decreasing as N-1/3 with decreasing particle size. This allows the nanoparticles to sample low energy states on the potential energy landscape, and we are able to study their relaxation times, measured in terms of the intermediate scattering function, and their structure, measured in terms of locally favored structures, to low temperatures. Our work shows that the growing relaxation times in the supercooled nanoparticles are coupled with the growth of physical clusters formed from favored local structures in a way that is well-described by the random first-order transition entropic droplet model, but with exponents that are dependent on the nanoparticle size.

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 score0.049
Threshold uncertainty score0.199

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 head0.006
GPT teacher head0.222
Teacher spread0.215 · 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

Citations0
Published2025
Admission routes2
Has abstractyes

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