Vorselaars, Bart, Kim, Jaeup U., Chantawansri, Tanya L. , Fredrickson, Glenn H. and Matsen, Mark W. (2011) Self-consistent field theory for diblock copolymers grafted to a sphere. Soft Matter, 7 (11). pp. 5128-5137. ISSN 1744-683X
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18227 c0sm01242d.pdf - Whole Document Restricted to Repository staff only 929kB |
Item Type: | Article |
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Item Status: | Live Archive |
Abstract
An efficient numerical self-consistent field theory (SCFT) algorithm is developed for treating structured polymers on spherical surfaces. The method solves the diffusion equations of SCFT with a pseudo-spectral approach that combines a spherical-harmonics expansion for the angular coordinates with a modified real-space Crank–Nicolson method for the radial direction. The self-consistent field equations are solved with Anderson-mixing iterations using dynamical parameters and an alignment procedure to prevent angular drift of the solution. A demonstration of the algorithm is provided for thin films of diblock copolymer grafted to the surface of a spherical core, in which the sequence of equilibrium morphologies is predicted as a function of diblock composition. The study reveals an array of interesting behaviors as the block copolymer pattern is forced to adapt to the finite surface area of the sphere.
Keywords: | self-consistent field theory, AB diblock copolymers, Nanoparticle |
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Subjects: | F Physical Sciences > F170 Physical Chemistry F Physical Sciences > F320 Chemical Physics F Physical Sciences > F162 Polymer Chemistry |
Divisions: | College of Science > School of Mathematics and Physics |
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ID Code: | 18227 |
Deposited On: | 07 Aug 2015 12:32 |
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