Structure and dynamics of random block copolymers in the bulk and thin films

ORAL

Abstract

Using a soft, coarse-grained model and a Lennard-Jones bead-spring model, we study the morphology of random block copolymers in the bulk and in contact with a hard wall that preferentially attracts one component. We show that both coarse-grained models yield similar equilibrium morphologies at intermediate and long length scales, and identify a mapping between the parameters of the two models. For most parameters we observe a disordered, microemulsion-like morphology. We study the single-chain dynamics in the bulk and in contact with a preferential surface. The relaxation times of the soft, coarse-grained model is about two orders of magnitude faster than the Lennard-Jones bead-spring model. In both models the relaxation time increases with segregation but the Lennard-Jones bead-spring model is additionally slowed down by the densification of the local packing at low temperatures. We employ the soft, coarse-grained model to generate starting configurations for the bead-spring model. Then, the bead-spring model is quenched below its glass transition temperature, and we investigate the local mechanical properties of the disordered, yet structured morphology.

Authors

  • Marcus M{\"u}ller

    • Georg-August Universit\"at
    • Georg-August University, G\"ottingen, Germany
  • Birger Steinm{\"u}ller

    • Georg-August University, G\"ottingen, Germany
  • Keith H. Hambrecht

    • University of Utah, Salt Lake City
  • Grant D. Smith

    • University of Utah, Salt Lake City
  • Dmitry Bedrov

    • University of Utah, Salt Lake City
    • Department of Materials Science and Engineering, University of Utah