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Simulated annealing study of diblock copolymer thin films confined between two homogeneous surfaces.
Authors:Yuhua Yin  Pingchuan Sun  Tiehong Chen  Baohui Li  Qinghua Jin  Datong Ding  An-Chang Shi
Affiliation:State Key Laboratory of Functional Polymer Materials for Adsorption and Separation, Joint-research College of Nankai University, Tianjin University, Department of Physics, Nankai University, Tianjin, 300071, PR China.
Abstract:Thin films of symmetric diblock copolymers confined between two parallel surfaces have been systematically investigated by means of simulated annealing on a simple cubic lattice. The study was carried out for systems with different film thicknesses and surface-polymer interactions. Very regular equilibrium morphologies of lamella are formed in almost all cases. The dependence of lamellar orientations, total energy, chain-conformation entropy, and free energy of the confined films on the film thickness and the strength of surface-polymer interactions has been studied systematically. The influence of packing frustration on morphology is observed and the mechanisms of lamellar orientations are investigated.
Keywords:annealing  copolymer  lamella  self‐assembly  thin films
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