Density functional simulations of hexagonally perfolated layered structures

Takashi Honda, Toshihiro Kawakatsu

Research output: Contribution to conferencePaperpeer-review

Abstract

An ABC stacking type of the hexagonally perforated layered (HPL) structure of a diblock copolymer was reproduced using the self-consistent field (SCF) theory. Starting from this structure, the dynamics of the structural phase transition to a bicontinuous double-gyroid structure was studied using the time-dependent Ginzburg-Landau theory coupled with the Random Phase Approximation (GRPA). In the initial stage, the HPL structure starts to undulate and then one of the ABC layers strongly deforms to form three-fold junctions.

Original languageEnglish
Pages3731-3732
Number of pages2
Publication statusPublished - 2006 Dec 1
Event55th Society of Polymer Science Japan Symposium on Macromolecules - Toyama, Japan
Duration: 2006 Sep 202006 Sep 22

Other

Other55th Society of Polymer Science Japan Symposium on Macromolecules
CountryJapan
CityToyama
Period06/9/2006/9/22

Keywords

  • Block copolymer
  • Density functional theory
  • Hexagonally perforated layered structure
  • Micro phase separation
  • OCTA system
  • Self-consistent field theory

ASJC Scopus subject areas

  • Engineering(all)

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