Complex liquid-crystal nanostructures in semiflexible ABC linear triblock copolymers: A self-consistent field theory

2016 ◽  
Vol 145 (18) ◽  
pp. 184902 ◽  
Author(s):  
Shiben Li ◽  
Ying Jiang ◽  
Jeff Z. Y. Chen
Keyword(s):  
Field Theory ◽  
Liquid Crystal ◽  
Triblock Copolymers ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Complex Liquid

scholarly journals Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation

Polymers ◽  
2018 ◽  
Vol 10 (11) ◽  
pp. 1276 ◽  
Author(s):  
Ji Wu ◽  
Zhihong Huang ◽  
Wenchang Lang ◽  
Xianghong Wang ◽  
Shiben Li
Keyword(s):  
Field Theory ◽  
Phase Diagrams ◽  
Triblock Copolymers ◽  
Functional Materials ◽  
Real Space ◽  
Consistent Field ◽  
Spherical Cavities ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

We investigate the nanostructures and phase diagrams of ABC linear triblock copolymers confined in spherical cavities by using real-space self-consistent field theory. Various 3D morphologies, such as spherical concentric lamellae, dumbbell-like cylinder, and rotational structures, are identified in the phase diagrams, which are constructed on the basis of the diameters of spherical cavities and the interaction between the polymers and preferential surfaces. We designate specific monomer-monomer interactions and block compositions, with which the polymers spontaneously form a cylindrical morphology in bulk, and firstly study morphology transformation with a neutral surface when a confining radius progressively increases. We then focus on phase morphologies under the preferential surfaces and consolidate them into phase diagrams. The spherical radius and the degree of preferential interactions can obviously induce the formation of a cylindrical morphology. Theoretical results correspond to an amount of recent experimental observations to a high degree and contribute to synthesising functional materials.

scholarly journals RuSseL: A Self-Consistent Field Theory Code for Inhomogeneous Polymer Interphases

Computation ◽  
2021 ◽  
Vol 9 (5) ◽  
pp. 57
Author(s):  
Constantinos J. Revelas ◽  
Aristotelis P. Sgouros ◽  
Apostolos T. Lakkas ◽  
Doros N. Theodorou
Keyword(s):  
Field Theory ◽  
Polymer Melt ◽  
Polymer Chains ◽  
Solid Polymer ◽  
One Dimensional ◽  
Consistent Field ◽  
Adsorbed Polymer ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

In this article, we publish the one-dimensional version of our in-house code, RuSseL, which has been developed to address polymeric interfaces through Self-Consistent Field calculations. RuSseL can be used for a wide variety of systems in planar and spherical geometries, such as free films, cavities, adsorbed polymer films, polymer-grafted surfaces, and nanoparticles in melt and vacuum phases. The code includes a wide variety of functional potentials for the description of solid–polymer interactions, allowing the user to tune the density profiles and the degree of wetting by the polymer melt. Based on the solution of the Edwards diffusion equation, the equilibrium structural properties and thermodynamics of polymer melts in contact with solid or gas surfaces can be described. We have extended the formulation of Schmid to investigate systems comprising polymer chains, which are chemically grafted on the solid surfaces. We present important details concerning the iterative scheme required to equilibrate the self-consistent field and provide a thorough description of the code. This article will serve as a technical reference for our works addressing one-dimensional polymer interphases with Self-Consistent Field theory. It has been prepared as a guide to anyone who wishes to reproduce our calculations. To this end, we discuss the current possibilities of the code, its performance, and some thoughts for future extensions.

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