MétaCan
Menu
Back to cohort
Record W4283394497 · doi:10.1021/acs.jpcc.1c10227

Ice Nucleation by the Primary Prism Face of Silver Iodide

2022· article· en· W4283394497 on OpenAlex
Abhishek Soni, G. N. Patey

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 C · 2022
Typearticle
Languageen
FieldEarth and Planetary Sciences
Topicnanoparticles nucleation surface interactions
Canadian institutionsUniversity of British Columbia
FundersScience and Engineering Research BoardNatural Sciences and Engineering Research Council of Canada
KeywordsNucleationPrismSilver iodideHexagonal prismLattice planeIce crystalsCrystallographyMaterials scienceChemical physicsChemistryHexagonal crystal systemOpticsNanotechnologyDiffractionPhysicsSilver halide

Abstract

fetched live from OpenAlex

Silver iodide is one of the most effective ice nucleating agents known. Silver iodide particles induce heterogeneous ice nucleation at temperatures as warm as −3 °C. Consequently, silver iodide, particularly the hexagonal polymorph (β-AgI), has been the focus of recent research aimed at understanding the microscopic mechanism of ice nucleation. Molecular simulations have shown that the basal (0001) plane of β-AgI nucleates the basal plane of ice due to a good lattice match combined with favorable atomistic surface morphology. However, ice nucleation has not been previously observed for the primary prism (101̅0) face of β-AgI, despite its close lattice match to the primary prism plane of hexagonal ice (Ih). Here we report molecular dynamics simulations employing the TIP4P/Ice model at a lower temperature (230 K) than those considered in earlier simulations. Our simulations show spontaneous nucleation of Ih by the primary prism face of β-AgI. Nucleation occurs via the primary prism face of Ih. We show how the bilayer characteristic of the primary prism face of Ih maps onto the surface morphology of β-AgI (101̅0). The primary prism face of β-AgI differs from the basal plane in that it has no electrical dipole perpendicular to the surface, which reduces the likelihood that an exposed β-AgI (101̅0) surface will undergo reconstruction. Thus, the primary prism plane might be a more viable possibility for ice nucleation by real β-AgI particles. Simulations were also performed for the secondary prism (112̅0) face of β-AgI, but ice nucleation was not observed on simulation time scales. Nevertheless, detailed geometric analysis shows that the atomistic morphology of this surface could provide a good match to the secondary prism plane of Ih.

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 categoriesInsufficient payload (model declined to judge)
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 score0.109
Threshold uncertainty score1.000

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)0.0010.000

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 head0.009
GPT teacher head0.215
Teacher spread0.206 · 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