{"title":"平面内电场对对称 ABA 三嵌段共聚物薄膜微相分离的影响","authors":"Yury A. Kriksin, Yaroslav V. Kudryavtsev","doi":"10.1002/mats.202300049","DOIUrl":null,"url":null,"abstract":"<p>The structure of a thin film of symmetric ABA triblock copolymer melts in an external in-plane DC or AC electric field is studied theoretically. The situation is considered when the triblock copolymer forms a hexagonal morphology of standing cylinders in bulk in the absence of an external field. Self-consistent field theory calculations are carried out to determine the most thermodynamically favorable thin film structure among the cylindrical phases perpendicular and parallel to the substrate and the lamellar phase perpendicular to the substrate. The results are presented as phase diagrams with the film thickness and electric field energy on the axes and as distributions of the local composition, which serve as an order parameter in the system. It is confirmed that electric fields only weakly affect the spinodal curves of block copolymers but they can reorient or markedly modify microphase-separated morphologies in those systems. Such restructuring is consistent with a considerable modulation of the free surface of a copolymer film and it can lead to the coexistence of different phases that appear in the film areas with different local thicknesses.</p>","PeriodicalId":18157,"journal":{"name":"Macromolecular Theory and Simulations","volume":"33 1","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2023-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Effect of In-Plane Electric Field on the Microphase Separation in Thin Films of a Symmetric ABA Triblock Copolymer\",\"authors\":\"Yury A. Kriksin, Yaroslav V. Kudryavtsev\",\"doi\":\"10.1002/mats.202300049\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The structure of a thin film of symmetric ABA triblock copolymer melts in an external in-plane DC or AC electric field is studied theoretically. The situation is considered when the triblock copolymer forms a hexagonal morphology of standing cylinders in bulk in the absence of an external field. Self-consistent field theory calculations are carried out to determine the most thermodynamically favorable thin film structure among the cylindrical phases perpendicular and parallel to the substrate and the lamellar phase perpendicular to the substrate. The results are presented as phase diagrams with the film thickness and electric field energy on the axes and as distributions of the local composition, which serve as an order parameter in the system. It is confirmed that electric fields only weakly affect the spinodal curves of block copolymers but they can reorient or markedly modify microphase-separated morphologies in those systems. Such restructuring is consistent with a considerable modulation of the free surface of a copolymer film and it can lead to the coexistence of different phases that appear in the film areas with different local thicknesses.</p>\",\"PeriodicalId\":18157,\"journal\":{\"name\":\"Macromolecular Theory and Simulations\",\"volume\":\"33 1\",\"pages\":\"\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2023-09-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Macromolecular Theory and Simulations\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/mats.202300049\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"POLYMER SCIENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Macromolecular Theory and Simulations","FirstCategoryId":"5","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/mats.202300049","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"POLYMER SCIENCE","Score":null,"Total":0}
引用次数: 0
摘要
本文从理论上研究了对称 ABA 三嵌段共聚物薄膜在外部平面直流或交流电场中的熔融结构。在没有外部电场的情况下,三嵌段共聚物在块体中形成六角形的立柱形态。通过自洽场理论计算,确定了垂直和平行于基底的圆柱相以及垂直于基底的薄片相中热力学上最有利的薄膜结构。研究结果以薄膜厚度和电场能量为轴的相图以及作为系统阶次参数的局部成分分布来表示。研究证实,电场对嵌段共聚物的旋光曲线影响微弱,但却能使这些体系中的微相分离形态重新定向或发生明显变化。这种结构调整与共聚物薄膜自由表面的显著变化一致,并可导致不同相共存,这些相出现在具有不同局部厚度的薄膜区域。
Effect of In-Plane Electric Field on the Microphase Separation in Thin Films of a Symmetric ABA Triblock Copolymer
The structure of a thin film of symmetric ABA triblock copolymer melts in an external in-plane DC or AC electric field is studied theoretically. The situation is considered when the triblock copolymer forms a hexagonal morphology of standing cylinders in bulk in the absence of an external field. Self-consistent field theory calculations are carried out to determine the most thermodynamically favorable thin film structure among the cylindrical phases perpendicular and parallel to the substrate and the lamellar phase perpendicular to the substrate. The results are presented as phase diagrams with the film thickness and electric field energy on the axes and as distributions of the local composition, which serve as an order parameter in the system. It is confirmed that electric fields only weakly affect the spinodal curves of block copolymers but they can reorient or markedly modify microphase-separated morphologies in those systems. Such restructuring is consistent with a considerable modulation of the free surface of a copolymer film and it can lead to the coexistence of different phases that appear in the film areas with different local thicknesses.
期刊介绍:
Macromolecular Theory and Simulations is the only high-quality polymer science journal dedicated exclusively to theory and simulations, covering all aspects from macromolecular theory to advanced computer simulation techniques.