Dissipative particle dynamics for directed self-assembly of block copolymers
Name
1907.01044.pdf
Description
Submitted version
Size
1.62 MB
Format
Adobe PDF
Checksum (MD5)
34b8acefd661142035db1c9ba83b60db
Author(s)
Huang, Hejin
Alexander-Katz, Alfredo
Date Issued
2019
Journal
The Journal of Chemical Physics
Publisher
AIP Publishing
Version
Original manuscript
Abstract
© 2019 Author(s). 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.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Terms of Use
Creative Commons Attribution-Noncommercial-Share Alike
Persistent DSpace Link
DOI of Published Version
https://doi.org/10.1063/1.5117839
