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Record W4405734919 · doi:10.1021/acs.langmuir.4c01924

The Role of Geometry on the Ease of Solidification Inside and Out of Cylindrical Nanopores

2024· article· en· W4405734919 on OpenAlexafffund
Hikmat Binyaminov, Janet A.W. Elliott

Bibliographic record

VenueLangmuir · 2024
Typearticle
Languageen
FieldEarth and Planetary Sciences
Topicnanoparticles nucleation surface interactions
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaAlberta Innovates
KeywordsNucleationContact angleNanoporousParticle (ecology)NanoporeMaterials scienceSurface energySolid surfaceChemical physicsMeniscusMechanicsBridging (networking)ChemistryNanotechnologyThermodynamicsComposite materialOpticsPhysics

Abstract

fetched live from OpenAlex

We investigated the role of a nanoporous particle on the formation of macroscopic solid in the framework of equilibrium thermodynamics and from the free-energy perspective. The model particle has cylindrical pores with equidistant circular openings on the particle surface. We focused on two potentially limiting steps: (i) the solid nucleation from liquid inside a single pore and (ii) the bridging of multiple pores on the particle surface. We examined the nucleation near the liquid-vapor meniscus inside a pore by considering different solid-vapor and solid-pore wall contact angles, as well as the liquid-vapor meniscus angles. For bridging, we quantified the effects of the proximity of neighboring pores and the number of participating pores where we considered two or three pores, placed two different distances apart, and three contact angles of the solid with the particle surface. Except in special cases where an analytical solution could be developed, we determined the equilibrium nucleus and bridge shapes numerically using the Surface Evolver code. The geometry of these equilibrium shapes was the key for correctly calculating the energy barriers. Our results indicate that the meniscus angle can be an important factor in reducing the barrier for nucleation if the internal angles of the solid nucleus satisfy a certain criterion. For the solid growth out of the pores, we found that the barriers were significantly lower in the presence of multiple, closely packed pores compared to the growth from a single pore. This paper is deliberately written with no reference to material properties or a specific process to highlight the generality of geometry-controlled barriers. A direct application where our findings can be particularly valuable is the ice formation in clouds, which is the subject of intensive research in atmospheric sciences for its role in influencing precipitation patterns and hence the climate.

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: Observational · Consensus signal: Observational
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.341
Threshold uncertainty score0.168

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 head0.017
GPT teacher head0.242
Teacher spread0.225 · 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 designObservational
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
Published2024
Admission routes2
Has abstractyes

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