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Record W4367596651 · doi:10.1021/acs.jpcb.3c00919

Crystal Growth Rates from Molecular Liquids: The Kinetics of Entropy Loss

2023· article· en· W4367596651 on OpenAlexafffund
Richard K. Bowles, Peter Harrowell

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2023
Typearticle
Languageen
FieldEarth and Planetary Sciences
Topicnanoparticles nucleation surface interactions
Canadian institutionsUniversity of Saskatchewan
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsEntropy of fusionKineticsThermodynamicsNucleationCrystal growthEntropy (arrow of time)Crystal (programming language)SlowdownChemical physicsFusionMaterials scienceWork (physics)ChemistryCrystallographyStatistical physicsPhysicsEnthalpy of fusionClassical mechanics

Abstract

fetched live from OpenAlex

It has been established empirically that the rate of addition of molecules to the crystal during crystal growth from the melt is proportional to exp(−|Δ S fus |/ R ), where Δ S fus is the entropy of fusion. Here we show that this entropic slowdown arises directly from the separation of the entropy loss and energy loss processes associated with the freezing of the liquid. We present a theoretical treatment of the kinetics based on a model flat energy landscape and derive an explicit expression for the coupling magnitude in terms of the crystal-melt interfacial free energy. The implications of our work for nucleation kinetics are also discussed.

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 score0.009
Threshold uncertainty score0.522

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 head0.010
GPT teacher head0.236
Teacher spread0.226 · 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

Citations6
Published2023
Admission routes2
Has abstractyes

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Same venueThe Journal of Physical Chemistry BSame topicnanoparticles nucleation surface interactionsFrench-language works237,207