Dissipative particle dynamics for directed self-assembly of block copolymers
Abstract
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 parameterizations of this model are not able to capture most of the rich phase behaviors of BCPs 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 reparameterization not only 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° bend structures, circular cylinders/lamellae and Frank-Kasper phases directed by trenches, and post arrays or chemically patterned substrates, have all been reproduced in this work. This reparameterized DPD model should serves as a powerful tool to predict BCP self-assembly, especially in some complex systems where it is difficult to implement self-consistent field theory.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- October 2019
- DOI:
- 10.1063/1.5117839
- arXiv:
- arXiv:1907.01044
- Bibcode:
- 2019JChPh.151o4905H
- Keywords:
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- Condensed Matter - Soft Condensed Matter
- E-Print:
- 16 pages, 6 figures