Tilt grain boundaries in a diblock copolymer ordered nanocomposite lamellar phase
Thompson, Russell B.
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A hybrid self-consistent field theory/density functional theory method is applied to predict tilt(kink) grain boundary structures between lamellar domains of a symmetric diblock copolymer with added spherical nanoparticles. Structures consistent with experimental observations are found and theoretical evidence is provided in support of a hypothesis regarding the positioning of nanoparticles. Some particle distributions are predicted for situations not yet examined by experiment.