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DC Field | Value | Language |
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dc.citation.endPage | 11315 | - |
dc.citation.number | 24 | - |
dc.citation.startPage | 11304 | - |
dc.citation.title | MACROMOLECULES | - |
dc.citation.volume | 54 | - |
dc.contributor.author | Yong, Daeseong | - |
dc.contributor.author | Kim, Yeongsik | - |
dc.contributor.author | Jo, Seungyun | - |
dc.contributor.author | Ryu, Du Yeol | - |
dc.contributor.author | Kim, Jaeup U. | - |
dc.date.accessioned | 2023-12-21T14:48:19Z | - |
dc.date.available | 2023-12-21T14:48:19Z | - |
dc.date.created | 2022-01-11 | - |
dc.date.issued | 2021-12 | - |
dc.description.abstract | We present the phase behavior of cylinder-forming block copolymer (BCP) films confined within neutral interfaces through theory and experiment. The Langevin field-theoretic simulation (L-FTS) is utilized to account for the compositional fluctuation effect on the order-to-disorder transition (ODT), and the ultraviolet divergence in the L-FTS result is eliminated by renormalization of the Flory-Huggins parameter chi, allowing accurate comparison of thickness-dependent (chi N)(ODT), where N is the polymerization index. The L-FTS is accelerated by utilizing a deep learning method, and we managed to achieve a 50-60% reduction in simulation time. The L-FTS results show that (chi N)(O)(DT) decreases as the film thickness decreases at a very large value of the invariant polymerization index ( N) over bar, and BCPs undergo a phase transition from disordered to cylindrical phases through a spherical phase as predicted by the self-consistent field theory calculation. By performing the L-FTS at experimentally relevant low (N) over bar, we show that the BCPs undergo a direct transition from disordered to cylindrical phases, and the (chi N)(O)(DT) value of cylinder-forming BCPs confined within neutral interfaces increases as the film thickness decreases. To verify and complement the theoretical results, we investigate the ODT temperature (T-ODT) of cylinder-forming polystyrene-b-poly(2-vinylpyridine) (PS-b-P2VP) films supported on a neutral mat of P(S-r-2VP) random copolymers using grazing-incidence small-angle X-ray scattering. Our film experiments with low-(N) over bar PS-b-P2VP confirm the direct transition from disordered to cylindrical phases and the decrease in T-ODT with decreasing thickness below the onset thickness above which the T-ODT levels off. | - |
dc.identifier.bibliographicCitation | MACROMOLECULES, v.54, no.24, pp.11304 - 11315 | - |
dc.identifier.doi | 10.1021/acs.macromol.1c02182 | - |
dc.identifier.issn | 0024-9297 | - |
dc.identifier.scopusid | 2-s2.0-85121045886 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/56570 | - |
dc.identifier.url | https://pubs.acs.org/doi/10.1021/acs.macromol.1c02182 | - |
dc.identifier.wosid | 000731068600001 | - |
dc.language | 영어 | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.title | Order-to-Disorder Transition of Cylinder-Forming Block Copolymer Films Confined within Neutral Interfaces | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Polymer Science | - |
dc.relation.journalResearchArea | Polymer Science | - |
dc.type.docType | Article; Early Access | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | FIELD-THEORETIC SIMULATIONS | - |
dc.subject.keywordPlus | THIN-FILMS | - |
dc.subject.keywordPlus | POLYSTYRENE-B-POLY(2-VINYLPYRIDINE) FILMS | - |
dc.subject.keywordPlus | MICROPHASE SEPARATION | - |
dc.subject.keywordPlus | POLYMERS | - |
dc.subject.keywordPlus | MELTS | - |
dc.subject.keywordPlus | PHASES | - |
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