Identification of transition from disordered to hexagonal ordered phase in simulations of asymmetric diblock copolymers

POSTER

Abstract

The transition from disordered to hexagonal ordered phase in asymmetric diblock copolymers has been identified precisely for a series of molecular weights using metadynamics which is a free-energy based technique. We explore important characteristics of the transition such as height of free energy barrier separating the two phases, first derivative of free energy, structure, strength of ordering, and compression modulus.

Authors

  • Pavani Medapuram

    University of Minnesota

  • Jens Glase

    University of Michigan, Department of Chemical Engineering, University of Michigan, University of Minnesota