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Record W2287257544 · doi:10.1021/acs.jpcb.5b06605

Simulations of Ice Nucleation by Model AgI Disks and Plates

2016· article· en· W2287257544 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2016
Typearticle
Languageen
FieldEarth and Planetary Sciences
Topicnanoparticles nucleation surface interactions
Canadian institutionsUniversity of British Columbia
FundersNatural Sciences and Engineering Research Council of CanadaWestern Canada Research GridCompute Canada
KeywordsSupercoolingIce nucleusNucleationSilver iodideAmorphous iceMaterials scienceCluster (spacecraft)Ice crystalsChemical physicsMolecular dynamicsClassical nucleation theoryCrystallographyChemistryNanotechnologyThermodynamicsPhysicsMeteorologyAmorphous solidComputational chemistry

Abstract

fetched live from OpenAlex

Silver iodide is one of the most effective ice nuclei known. We use molecular dynamics simulations to investigate ice nucleation by AgI disks and plates with radii ranging from 1.15 to 2.99 nm. It is shown that disks and plates in this size range are effective ice nuclei, nucleating bulk ice at temperatures as warm as 14 K below the equilibrium freezing temperature, on simulation time scales (up to a few hundred nanoseconds). Ice nucleated on the Ag exposed surface of AgI disks and plates. Shortly after supercooling an ice cluster forms on the AgI surface. The AgI-stabilized ice cluster fluctuates in size as time progresses, but, once formed, it is constantly present. Eventually, depending on the disk or plate size and the degree of supercooling, a cluster fluctuation achieves critical size, and ice nucleates and rapidly grows to fill the simulation cell. Larger AgI disks and plates support larger ice clusters and hence can nucleate ice at warmer temperatures. This work may be useful for understanding the mechanism of ice nucleation on nanoparticles and active sites of larger atmospheric particles.

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.

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 score0.323
Threshold uncertainty score0.255

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 head0.011
GPT teacher head0.233
Teacher spread0.222 · 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