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Abstract
Bottlebrush block copolymers are emerging as promising materials for designing advanced materials with a number of unique properties engendered by densely grafted architectures. We used self-consistent field theory (SCFT) to determine how the stability of the double gyroid phase in a diblock copolymer melt is affected by converting one or both of the blocks of a linear diblock copolymer to a bottlebrush architecture. For architecturally symmetric polymers, the dominant effect of the bottlebrush is increasing segregation strength, whereupon the gyroid stability regions are effectively the same as linear diblock copolymers at equivalent segregation. In contrast, architectural asymmetry produced by coil-bottlebrush block polymers significantly impacts the gyroid stability region as a result of conformational asymmetry, which promotes spontaneous curvature. Gyroid is more stable when the coil blocks are in minority domains, which relieves packing frustration at the center of the gyroid nodes than in majority domains. Our results suggest that architectural asymmetry in bottlebrush block polymers can be a powerful design tool.
Original language | English (US) |
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Pages (from-to) | 9063-9070 |
Number of pages | 8 |
Journal | Macromolecules |
Volume | 54 |
Issue number | 19 |
DOIs | |
State | Published - Oct 12 2021 |
Bibliographical note
Funding Information:The authors thank Prof. David C. Morse for assistance with the SCFT code. This work was supported primarily by the National Science Foundation through the University of Minnesota MRSEC under Award Number DMR-2011401. The Minnesota Supercomputing Institute (MSI) at the University of Minnesota provided resources that contributed to the research results reported within this paper.
Publisher Copyright:
© 2021 American Chemical Society.
MRSEC Support
- Primary
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Dive into the research topics of 'Stability of the Double Gyroid Phase in Bottlebrush Diblock Copolymer Melts'. Together they form a unique fingerprint.Projects
- 2 Active
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University of Minnesota Materials Research Science and Engineering Center (DMR-2011401)
Leighton, C. (PI) & Lodge, T. (CoI)
THE NATIONAL SCIENCE FOUNDATION
9/1/20 → 8/31/26
Project: Research project
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IRG-2: Mesoscale Network Materials
Mahanthappa, M. (Senior Investigator), Bates, F. S. (Senior Investigator), Calabrese, M. A. (Senior Investigator), Dorfman, K. (Senior Investigator), Ellison, C. J. (Senior Investigator), Ferry, V. E. (Senior Investigator), Lozano, K. (Senior Investigator), Reineke, T. M. (Senior Investigator) & Siepmann, I. (Senior Investigator)
9/1/20 → 8/31/26
Project: IRG
Datasets
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Data for "Stability of the Double Gyroid Phase in Bottlebrush Diblock Copolymer Melts"
Park, S. J., Cheong, G. K., Bates, F. S. & Dorfman, K., Data Repository for the University of Minnesota, Oct 4 2021
https://hdl.handle.net/11299/224776
Dataset