Density functional simulations of hexagonally perfolated layered structures

Takashi Honda; Toshihiro Kawakatsu

Density functional simulations of hexagonally perfolated layered structures

SCI - Physics

Research output: Contribution to conference › Paper › peer-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 language	English
Pages	3731-3732
Number of pages	2
Publication status	Published - 2006 Dec 1
Event	55th Society of Polymer Science Japan Symposium on Macromolecules - Toyama, Japan Duration: 2006 Sep 20 → 2006 Sep 22

Other

Other	55th Society of Polymer Science Japan Symposium on Macromolecules
Country	Japan
City	Toyama
Period	06/9/20 → 06/9/22

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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title = "Density functional simulations of hexagonally perfolated layered structures",

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.",

keywords = "Block copolymer, Density functional theory, Hexagonally perforated layered structure, Micro phase separation, OCTA system, Self-consistent field theory",

author = "Takashi Honda and Toshihiro Kawakatsu",

year = "2006",

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day = "1",

language = "English",

pages = "3731--3732",

note = "55th Society of Polymer Science Japan Symposium on Macromolecules ; Conference date: 20-09-2006 Through 22-09-2006",

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TY - CONF

T1 - Density functional simulations of hexagonally perfolated layered structures

AU - Honda, Takashi

AU - Kawakatsu, Toshihiro

PY - 2006/12/1

Y1 - 2006/12/1

N2 - 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.

AB - 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.

KW - Block copolymer

KW - Density functional theory

KW - Hexagonally perforated layered structure

KW - Micro phase separation

KW - OCTA system

KW - Self-consistent field theory

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M3 - Paper

AN - SCOPUS:33846127797

SP - 3731

EP - 3732

T2 - 55th Society of Polymer Science Japan Symposium on Macromolecules

Y2 - 20 September 2006 through 22 September 2006

ER -