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Record W3011462764 · doi:10.1063/1.5142179

Dynamical self-consistent field theory captures multi-scale physics during spinodal decomposition in a symmetric binary homopolymer blend

2020· article· en· W3011462764 on OpenAlexafffund
Douglas J. Grzetic, Robert A. Wickham

Bibliographic record

VenueThe Journal of Chemical Physics · 2020
Typearticle
Languageen
FieldMaterials Science
TopicBlock Copolymer Self-Assembly
Canadian institutionsUniversity of Guelph
FundersNatural Sciences and Engineering Research Council of CanadaCanada Foundation for Innovation
KeywordsSpinodal decompositionBinary numberSpinodalField theory (psychology)Scale (ratio)Statistical physicsPhysicsDecompositionField (mathematics)Mathematical physicsMathematicsQuantum mechanicsPhase (matter)ChemistryPure mathematics

Abstract

fetched live from OpenAlex

We study the spinodal decomposition in a symmetric, binary homopolymer blend using our recently developed dynamical self-consistent field theory. By taking the extremal solution of a dynamical functional integral, the theory reduces the interacting, multi-chain dynamics to a Smoluchowski equation describing the statistical dynamics of a single, unentangled chain in a self-consistent, time-dependent, mean force-field. We numerically solve this equation by evaluating averages over a large ensemble of replica chains, each one of which obeys single-chain Langevin dynamics, subject to the mean field. Following a quench from the disordered state, an early time spinodal instability in the blend composition develops, before even one Rouse time elapses. The dominant, unstable, growing wavelength is on the order of the coil size. The blend then enters a late-time, t, scaling regime with a growing domain size that follows the expected Lifshitz–Slyozov–Wagner t1/3 power law, a characteristic of a diffusion-driven coarsening process. These results provide a satisfying test of this new method, which correctly captures both the early and late time physics in the blend. Our simulation spans five orders-of-magnitude in time as the domains coarsen to 20 times the coil size, while remaining faithful to the dynamics of the microscopic chain model.

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 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 score0.006
Threshold uncertainty score0.761

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
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 head0.011
GPT teacher head0.246
Teacher spread0.235 · 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 teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
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

Citations5
Published2020
Admission routes2
Has abstractyes

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