MétaCan
Menu
Back to cohort
Record W2011972051 · doi:10.1002/polb.20387

Diffusion, elasticity, and shear flow in self‐assembled block copolymers: A molecular dynamics study

2005· article· en· W2011972051 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

VenueJournal of Polymer Science Part B Polymer Physics · 2005
Typearticle
Languageen
FieldMaterials Science
TopicBlock Copolymer Self-Assembly
Canadian institutionsWestern University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsLamellar structureGyrationShear flowMaterials sciencePolymerShear (geology)Molecular dynamicsShear rateInstabilityRheologyCopolymerLamellar phaseChemical physicsMechanicsPhysicsChemistryComposite materialGeometryComputational chemistryMathematics

Abstract

fetched live from OpenAlex

Abstract Self‐assembled ordered structures composed of block copolymers are simulated by molecular dynamics under stress‐free conditions and under shear. We address several methodological points. The system must be allowed to adjust its size to accommodate natural periods of self‐assembled structures. In addition, these structures need to be capable of rotating freely under shear. An examination of the diffusion of polymer molecules in the lamellar phase reveals subdiffusion along translationally invariant directions between the ballistic and diffusive regime. The diffused distance d increases with time t as d ∝ t 1/3 . We also examine the possibility of mapping structures such as cylindrical phases onto particle–field types of models. Using measurements of the wavevector‐dependent dynamic matrix, we show that this cannot be done with only two‐body potentials. We then examine the molecular origin of shear alignment of lamellar phases. Lamellae oriented parallel to the shear direction become unstable at high shear rates when the major axis of the tensor of gyration of individual polymers forms an average angle of 45° with the lamellae. This instability can be understood in analogy to similar transitions in liquid crystals. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 970–982, 2005

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)0.002
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
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 score0.016
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.002
Science and technology studies0.0010.001
Scholarly communication0.0010.002
Open science0.0020.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

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 head0.249
Teacher spread0.242 · 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