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Record W2040453590 · doi:10.1109/ictonmw.2009.5385600

Molecular dynamics simulation of the SRG formation in poly(methyl methacrylate) doped with dispersed red 1

2009· preprint· en· W2040453590 on OpenAlexaff
Mohamed Saiddine, Victor Teboul, Jean‐Michel Nunzi

Bibliographic record

Venuenot available
Typepreprint
Languageen
FieldChemistry
TopicPhotochemistry and Electron Transfer Studies
Canadian institutionsQueen's University
Fundersnot available
KeywordsChromophorePhotoisomerizationPolymerIsomerizationMolecular dynamicsMethyl methacrylateChemical physicsMaterials scienceDiffusionDopingPoly(methyl methacrylate)Fick's laws of diffusionPhotochemistryPolymer chemistryChemistryComputational chemistryOptoelectronicsPhysicsThermodynamicsOrganic chemistryComposite materialCopolymer

Abstract

fetched live from OpenAlex

We report large scale molecular dynamics simulations of the photoisomerization of chromophores dispersed inside a glassy polymer. We study the nonequilibrium dynamics of the polymers and of the chromophores at constant temperatures. We observe an huge increase of the diffusion coefficient of both the polymer and the chromophore when the isomerization is switched on. This result suggests a simple explanation (P. Lefin, C. Fiorini, J.M. Nunzi, Pure Appl. Opt. 7, 71 (1998)) for the mass transport and the SRG formation that appear in illuminated azo-polymers.

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: Empirical
Teacher disagreement score0.021
Threshold uncertainty score0.041

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.000
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0010.000
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0030.000

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 head0.010
GPT teacher head0.245
Teacher spread0.236 · 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

Citations0
Published2009
Admission routes1
Has abstractyes

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