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Record W4226150642 · doi:10.1080/08927022.2022.2059479

Examination of critical grain size of isotropic nanocrystalline iron through molecular dynamics analysis

2022· article· en· W4226150642 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

VenueMolecular Simulation · 2022
Typearticle
Languageen
FieldMaterials Science
TopicMicrostructure and mechanical properties
Canadian institutionsMemorial University of Newfoundland
FundersNatural Sciences and Engineering Research Council of CanadaSuncor Energy Incorporated
KeywordsNanocrystalline materialMaterials scienceGrain sizeIsotropyGrain boundary strengtheningMicrostructureYield (engineering)Grain boundaryMetallurgyNanotechnologyPhysics

Abstract

fetched live from OpenAlex

The critical grain size for isotropic nanocrystalline pure iron was investigated utilizing Molecular Dynamics (MD). First, number of grains required for isotropic behaviour was determined utilizing statistically significant grain counts – alleviating challenges faced in simulation of nanocrystalline materials. The current investigation provides a thorough guideline for simulating isotropic nanocrystalline materials. Second, an investigation into the effect of strain rate was performed to demonstrate its effect on mechanical properties of pure, isotropic nanocrystalline iron. Next, the critical grain size of pure nanocrystalline iron was investigated, indicating the change from Hall-Petch to inverse Hall-Petch. It was shown that MD of an isotropic pure nanocrystalline iron structure possessed a clearly defined critical grain size through examination of flow stress and maximum stress. It was shown that neither elastic modulus nor Poisson’s ratio were viable indicators for a critical grain size, instead, both tended towards their macroscale equivalent. Alternatively, yield stress may be viable, but was not recommended due to varying definitions for what exactly constitutes the yield point. Lastly, an investigation into the microstructure was performed near the critical grain size and at the extremes of grain sizes investigated. This highlighted the microstructural behaviour within both Hall-Petch and inverse Hall-Petch regimes throughout straining.

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 score0.278
Threshold uncertainty score0.716

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 head0.261
Teacher spread0.252 · 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