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Numerical Solution of Polymer Self-Consistent Field Theory
Abstract
We propose efficient pseudospectral numerical schemes for solving the self-consistent, mean-field equations for inhomogeneous polymers. In particular, we introduce a robust class of semi-implicit methods that employ asymptotic small scale information about the nonlocal density operators. The relaxation schemes are further embedded in a multilevel strategy resulting in a method that can cut down the computational cost by an order of magnitude. Three illustrative problems are used to test the numerical methods: (i) the problem of finding the mean chemical potential field for a prescribed inhomogeneous density of homopolymers; (ii) an incompressible melt blend of two chemically distinct homopolymers; and (iii) an incompressible melt of AB diblock copolymers.
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Citations
Cited by
Stability of the Gyroid Phase in Diblock Copolymers at Strong Segregation
Cochran, E. W., Garcia-Cervera, C. J., & Fredrickson, G. H. (2006) · Macromolecules · doi:10.1021/ma0527707 · Cited by 377
Self-citationRecent advances on the structure–properties relationship of multiblock copolymers
Baeza, G. P. (2021) · Journal of Polymer Science · doi:10.1002/pol.20210406 · Cited by 47
Metadata
- Authors
- Ceniceros, H. D., & Fredrickson, G. H.
- Venue
- Multiscale Modeling & Simulation
- Published
- 2004-01
- Volume
- 2
- Issue
- 3
- Pages
- 452-474
- ISSN
- 1540-3459 (ISSN-L)
- 1540-3467
- OpenAlex
- W2151293682
- Cited by
- 179
- References
- 0
- FWCI
- 3.54
- Type
- journal article
- Language
- en
- Open access
- closed
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
