Computational Analysis of Defects in the Directed-Self Assembly of Block Copolymer

2014 Fiscal Year Final Research Report

• Project/Area Number: 25800237
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Biological physics/Chemical physics/Soft matter physics
• Research Institution: Kyoto University
• Principal Investigator: YOSHIMOTO Kenji 京都大学, 学際融合教育研究推進センター, 特定准教授 (00645278)
• Research Collaborator: TANIGUCHI Takashi 京都大学, 大学院工学研究科化学工学専攻, 准教授 (60293669) ; OHSHIMA Masahiro 京都大学, 大学院工学研究科化学工学専攻, 教授 (60185254) ; FUKAWATASE Ken 京都大学, 大学院工学研究科化学工学専攻 ; HORI Yoshihiro 京都大学, 大学院工学研究科化学工学専攻
• Project Period (FY): 2013-04-01 – 2015-03-31
• Keywords: DSA / 誘導自己組織化 / ブロック共重合体 / 欠陥構造 / 欠陥ダイナミクス / 大規模シミュレーション / ホールシュリンク

Outline of Final Research Achievements

Due to a high demand for electrical devices with compact size and high performance, design of electric circuit has to be smaller than ever. Among various new emerging methods, we investigated the so-called directed self-assembly of diblock copolymer (DSA) in this study. Our goal was to gain insight into mechanisms of defect formation observed in some DSA processes. By employing the simplified model and fitting the model parameters with the experimental data, we were able to perform large-scale dynamic simulations and to observe various defects over a long course of simulation time. We found that on the chemically pre-patterned surface, the defect density decays exponentially with time. Also, for the DSA process in which the nano-scale holes were used as a guiding template, our simulations showed that the wall affinity to the diblock copolymers could largely affect on the defect formation and that the phase-separated morphology could be different from the one in the bulk.

Free Research Field

高分子物理、ナノ材料工学、化学工学