Hexagonal patterns in a simplified model for block copolymers

D. P. Bourne, M. A. Peletier, S. M. Roper

Research output: Contribution to journalArticle

5 Citations (Scopus)
14 Downloads (Pure)

Abstract

In this paper we study a new model for patterns in two dimensions, inspired by diblock copolymer melts with a dominant phase. The model is simple enough to be amenable not only to numerics but also to analysis, yet sophisticated enough to reproduce hexagonally packed structures that resemble the cylinder patterns observed in block copolymer experiments. Starting from a sharp-interface continuum model, a nonlocal energy functional involving a Wasserstein cost, we derive the new model using Gamma-convergence in a limit where the volume fraction of one phase tends to zero. The limit energy is defined on atomic measures; in three dimensions the atoms represent small spherical blobs of the minority phase, and in two dimensions they represent thin cylinders of the minority phase. We then study local minimizers of the limit energy. Numerical minimization is performed in two dimensions by recasting the problem as a computational geometry problem involving power diagrams. The numerical results suggest that the small particles of the minority phase tend to arrange themselves on a triangular lattice as the number of particles goes to infinity. This is proved in the companion paper [D. P. Bourne, M. A. Peletier, and F. Theil, Comm. Math. Phys. , 329 (2014), 117-140] and agrees with patterns observed in block copolymer experiments. This is a rare example of a nonlocal energy-driven pattern formation problem in two dimensions where it can be proved that the optimal pattern is periodic.

Original languageEnglish
Pages (from-to)1315-1337
Number of pages23
JournalSIAM Journal on Applied Mathematics
Volume74
Issue number5
DOIs
Publication statusPublished - 9 Sep 2014

Keywords

  • Crystallization
  • Diblock copolymers
  • Energy-driven pattern formation
  • Nonlocal energy
  • Small volume fraction limit
  • Voronoi diagrams

ASJC Scopus subject areas

  • Applied Mathematics

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