Vorselaars, Bart and Kim, Jaeup U. and Chantawansri, Tanya L. and Fredrickson, Glenn H. and Matsen, Mark W. (2011) Selfconsistent field theory for diblock copolymers grafted to a sphere. Soft Matter, 7 (11). pp. 51285137. ISSN 1744683X
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Item Type:  Article 

Item Status:  Live Archive 
Abstract
An efficient numerical selfconsistent field theory (SCFT) algorithm is developed for treating structured polymers on spherical surfaces. The method solves the diffusion equations of SCFT with a pseudospectral approach that combines a sphericalharmonics expansion for the angular coordinates with a modified realspace Crank–Nicolson method for the radial direction. The selfconsistent field equations are solved with Andersonmixing 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:  selfconsistent field theory, AB diblock copolymers, Nanoparticle 

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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