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Combinatorial Screening of Complex Block Copolymer Assembly with Self-Consistent Field Theory
Abstract
We describe a numerical implementation of self-consistent mean field theory for block copolymers that requires no assumption of the mesophase symmetry. The method is amenable to massively parallel screening of self-assembly in complex block copolymer systems, characterized by high-dimensional parameter spaces. We illustrate the method by screening for novel mesophases in linear $\mathrm{ABCA}$ tetrablock copolymers; several previously unreported mesophases have been identified. Extension to multicomponent systems, such as blends of block copolymers and homopolymers, is straightforward.
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Citations
Cited by
Nanostructure fabrication using block copolymers
Hamley, I. W. (2003) · Nanotechnology · doi:10.1088/0957-4484/14/10/201 · Cited by 773
Efficient computation of the structural phase behavior of block copolymers
Tzeremes, G., Rasmussen, K. Ø., Lookman, T., & Saxena, A. (2002) · Physical Review E · doi:10.1103/physreve.65.041806 · Cited by 328
Discovering ordered phases of block copolymers: New results from a generic fourier-space approach
Guo, Z., Zhang, G., Qiu, F., Zhang, H., Yang, Y., & Shi, A.-C. (2008) · Physical Review Letters · doi:10.1103/physrevlett.101.028301 · Cited by 150
Daoulas, K. C., Theodorou, D. N., Roos, A., & Creton, C. (2004) · Macromolecules · doi:10.1021/ma035383a · Cited by 41
The Block Copolymer Phase Behavior Database
Rebello, N. J., Arora, A., Mochigase, H., Lin, T.-S., Shi, J., Audus, D. J., Muckley, E. S., Osmani, A., & Olsen, B. D. (2024) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.4c00242 · Cited by 12
Metadata
- Authors
- Drolet, F., & Fredrickson, G. H.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1999-11-22
- Volume
- 83
- Issue
- 21
- Pages
- 4317-4320
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2073503574
- Cited by
- 542
- References
- 0
- FWCI
- 13.15
- Type
- journal article
- Language
- en
- Open access
- closed
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- Drolet, F., & Fredrickson, G. H. (1999). Combinatorial Screening of Complex Block Copolymer Assembly with Self-Consistent Field Theory. Physical Review Letters. https://doi.org/10.1103/physrevlett.83.4317
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