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A Simple Model for Gas-Phase Synthesis of Nickel Nanoparticles

2021· article· en· W3134125081 on OpenAlexafffund
M. Reza Kholghy, Alexander Schumann

Bibliographic record

VenueEnergy & Fuels · 2021
Typearticle
Languageen
FieldEarth and Planetary Sciences
Topicnanoparticles nucleation surface interactions
Canadian institutionsCarleton University
FundersNatural Sciences and Engineering Research Council of CanadaSchweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
KeywordsSinteringMaterials scienceAgglomerateNucleationNanoparticleThermal decompositionSurface diffusionChemical engineeringNickelDispersityPhase (matter)Particle (ecology)Grain boundary diffusion coefficientDiffusionMetallurgyComposite materialMicrostructureGrain boundaryNanotechnologyThermodynamicsChemistryPhysical chemistryAdsorptionOrganic chemistry

Abstract

fetched live from OpenAlex

Gas-phase synthesis of nickel (Ni) nanoparticles by thermal decomposition of nickel tetracarbonyl, Ni(CO) 4, is simulated accounting for nucleation, surface growth, coagulation, and sintering. By detailed analysis of phenomenological expressions for sintering, it is shown that surface diffusion (SD) is the dominant sintering mechanism for Ni nanoparticles at low temperatures ( T < 700 K) and early stages of sintering, but grain boundary diffusion (GBD) dominates as sintering progresses and at higher temperatures. This is consistent with molecular dynamics simulations of noble metal nanoparticle sintering. Using the average of the above SD and GBD characteristic sintering times for Ni as well as a monodisperse population balance model (MPBM) that accounts for agglomerate morphology, polydispersity, and evolving structure with scaling laws from mesoscale simulations, Ni agglomerate sintering is benchmarked with measurements of agglomerate mobility and primary particle diameters. The MPBM predictions are in good agreement with the measured concentration and sizes of Ni nanoparticles by thermal decomposition of Ni(CO) 4 in a hot wall flow reactor.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.012
Threshold uncertainty score0.030

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0020.001
Research integrity0.0030.001
Insufficient payload (model declined to judge)0.0090.001

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 head0.028
GPT teacher head0.267
Teacher spread0.239 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
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
Published2021
Admission routes2
Has abstractyes

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Same venueEnergy & FuelsSame topicnanoparticles nucleation surface interactionsFrench-language works237,207