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Phase behavior of triblock copolymer and homopolymer blends: Effect of copolymer topology

2024· article· en· W4390755078 on OpenAlex
Jiayu Xie, An‐Chang Shi

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

VenuePhysical Review Materials · 2024
Typearticle
Languageen
FieldMaterials Science
TopicBlock Copolymer Self-Assembly
Canadian institutionsMcMaster University
FundersIsaac Newton Institute for Mathematical SciencesEngineering and Physical Sciences Research CouncilShared Hierarchical Academic Research Computing NetworkDivision of Mathematical SciencesAberystwyth UniversityNatural Sciences and Engineering Research Council of Canada
KeywordsCopolymerMaterials scienceMiscibilityPhase diagramPhase (matter)Polymer blendMelting-point depressionNetwork topologyPolymer chemistryPolymer scienceTopology (electrical circuits)Melting pointPolymerComposite materialOrganic chemistryComputer scienceMathematicsCombinatorics

Abstract

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Two distinct linear triblock copolymers with different block sequences, ABA or BAB, are obtained when two identical AB diblock copolymers are jointed at their B or A ends, respectively, resulting in three homologous, AB diblock, ABA, and BAB triblock copolymers with the same chemical composition but different topologies. We demonstrate that the topological effect on the phase behaviors of these copolymers is amplified when A homopolymers are added to the system. Specifically, the phase behaviors of binary blends composed of ABA or BAB linear triblock copolymers and A homopolymers are studied by using the random-phase approximation (RPA) and self-consistent field theory (SCFT). The RPA analysis predicts that the Lifshitz point for the ABA/A blends behaves like a second-order transition but that for the BAB/A blends behaves like a first-order transition. The Lifshitz point of the BAB/A mixtures is found to occur at a much lower homopolymer concentration than that of the ABA/A mixtures, indicating a poorer miscibility of the A homopolymers into the BAB than ABA triblocks, which is also confirmed by SCFT. For sphere-forming triblock copolymers mixed with homopolymers, the poorer miscibility and the more diffused distribution of the A homopolymers in the BAB/A blends result in a phase behavior drastically different from that of the ABA/A and AB/A blends. The ABA/A blends stabilize the Frank-Kasper (FK) phases similar to the AB/A blends, but the stability window of FK phases becomes negligibly small in the corresponding BAB/A blends. Our results demonstrate that the topological effect of block copolymers on the equilibrium phase behaviors can be more prominent in multicomponent systems and thus more attention should be paid to copolymer topologies in the design of polymeric blends. Published by the American Physical Society 2024

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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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
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 score0.138
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0020.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.341
Teacher spread0.330 · 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