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Record W1990570780 · doi:10.1021/ma992135z

Monte Carlo and Mean Field Study of Diblock Copolymer Micelles

2000· article· en· W1990570780 on OpenAlexaff
M. P. Pépin, M. D. Whitmore

Bibliographic record

VenueMacromolecules · 2000
Typearticle
Languageen
FieldMaterials Science
TopicBlock Copolymer Self-Assembly
Canadian institutionsMemorial University of Newfoundland
Fundersnot available
KeywordsMonte Carlo methodMicelleCopolymerMean field theoryRelaxation (psychology)Statistical physicsDegree of polymerizationMaterials scienceTheta solventThermodynamicsPolymerPhysicsSolventChemistrySolvent effectsPhysical chemistryPolymerizationCondensed matter physicsMathematicsNuclear magnetic resonanceOrganic chemistryAqueous solutionStatistics

Abstract

fetched live from OpenAlex

When small concentrations of A- b -B diblock copolymer are mixed with selective solvent or A homopolymer, they often form spherical micelles with cores comprised of the B blocks. Mean field theory predicts that the core radii scale primarily with the degree of polymerization of the B block as with α ≃ 2/3 or larger, and this is consistent with many experimental data. However, recent experiments on very strongly segregated “crew-cut” micelles indicate a much weaker dependence. In this paper, we study crew-cut micelles using a simple mean field theory and Monte Carlo simulations. The Monte Carlo simulations include the calculation of the system relaxation times, which are used both to determine the simulation times required to reach equilibrium and to examine, at least qualitatively, the variable solvent qualities at which the micelle structures become “frozen in” for different polymer molecular weights. The mean field results for these crew-cut, strongly segregated micelles are consistent with previous mean field calculations, giving α = 0.77 at fixed solvent quality. The Monte Carlo results indicate that nonequilibrium effects result in a weaker power law, as observed experimentally.

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)0.001
metaresearch head score (Gemma)0.002
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 score0.006
Threshold uncertainty score0.012

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.000
Science and technology studies0.0010.001
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0010.001
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 head0.007
GPT teacher head0.230
Teacher spread0.223 · 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

Citations31
Published2000
Admission routes1
Has abstractyes

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