Single-Chain in Mean-Fied simulations for Block Copolymer/Nanoparticle Composites

ORAL

Abstract

Incorporating nanoparticles into self-assembling copolymers is a promising route towards creation of structures tailored at the nanometer scale and for design of new functional materials. However, predicting the behavior of nanoparticles dispersed in diblock copolymers remains a theoretical challenge. We have developed a single-chain in mean-field simulation technique that permits study of copolymer/nanoparticle composites in two limits, including hard and soft nanoparticles. The models proposed in this work are capable of describing the morphological changes induced by adding nanoparticles to block copolymers, and the distribution of nanoparticles in block copolymer thin films on patterned substrates.

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Authors

  • Francois Detcheverry

  • George Papakonstantopoulos

    • University of Wisconsin-Madison

  • Huiman Kang

    • Dep. of Chem. and Bio. Engr., University of Wisconsin, Madison, USA.

  • Paul Nealey

    • Dep. of Chem. and Bio. Engr., University of Wisconsin, Madison, USA.

  • Juan de Pablo

    • University of Wisconsin, Madison
    • University of Wisconsin
    • Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706
    • University of Wisconsin-Madison
    • Dep. of Chem. and Bio. Engr., University of Wisconsin, Madison, USA.

  • Kostas Daoulas

  • Marcus Mueller

    • Institut fur Theoretische Physik, Georg-August Universitat, Gottingen, Germany
    • Institut fur Theoretische Physik, Georg-August Universitat, 37077 Goettingen, Germany