Dissipative Particle Dynamics for Directed Self-Assembly of Block Copolymers
| Autor: | Huang, Hejin, Alexander-Katz, Alfredo |
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| Rok vydání: | 2019 |
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| Druh dokumentu: | Working Paper |
| DOI: | 10.1063/1.5117839 |
| Popis: | The dissipative particle dynamics (DPD) simulation method has been shown to be a promising tool to study self-assembly of soft matter systems. In particular, it has been used to study block copolymer (BCP) self-assembly. However, previous parametrizations of this model are not able to capture most of the rich phase behaviors of block copolymers in thin films nor in directed self-assembly (chemoepitaxy or graphoepitaxy). Here we extend the applicability of the DPD method for BCPs to make it applicable to thin films and directed self-assembly. Our new reparametrization is able to reproduce the bulk phase behavior, but also manages to predict thin film structures obtained experimentally from chemoepitaxy or graphoepitaxy. A number of different complex structures, such as bilayer nanomeshes, 90{\deg} bend structures, circular cylinders/lamellae and Frank-Kasper phases directed by trenches, post arrays or chemically patterned substrate have all been reproduced in this work. This reparametrized DPD model should serves as a powerful tool to predict BCP self-assembly, especially in some complex systems where it is difficult to implement SCFT. Comment: 16 pages, 6 figures |
| Databáze: | arXiv |
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