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Coarse-grained theory on topological effects of entangled polymer systems

Research Project

Project/Area Number 24654134
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Biophysics/Chemical physics
Research InstitutionTohoku University

Principal Investigator

KAWAKATSU Toshihiro  東北大学, 理学(系)研究科(研究院), 教授 (20214596)

Co-Investigator(Renkei-kenkyūsha) OYA Yutaka  東北大学, 大学院理学研究科, 研究支援者 (60735554)
Project Period (FY) 2012-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥3,770,000 (Direct Cost: ¥2,900,000、Indirect Cost: ¥870,000)
Fiscal Year 2013: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2012: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords絡み合い高分子 / トポロジー / 自己無撞着場理論 / 環状高分子 / オリンピックゲル / ガウスの絡み合い数 / トポロジー不変 / 高分子濃厚系 / 粘弾性
Outline of Final Research Achievements

Equilibrium and dynamic properties of highly entangled polymer systems are studied by self-consistent field(SCF) theory. We introduced vector and tensor order parameters into SCF theory so that we can describe non-equilibrium bond distribution. By evaluating the tensor order parameter using perturbation expansion, we succeeded in reproducing rheological properties of mesophases of entangled block copolymers. We then applied this SCF theory to ring polymer melts, where the topological invariant is included. As the convergence of the iteration procedure was very poor, we developed a new algorithm to solve this SCF equation.

Report

(4 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • 2012 Research-status Report
  • Research Products

    (12 results)

All 2015 2014 2013 2012

All Journal Article (3 results) (of which Peer Reviewed: 3 results) Presentation (9 results) (of which Invited: 7 results)

  • [Journal Article] A density functional theory of chiral block copolymer melts2013

    • Author(s)
      Shih-Hao Wang, Toshihiro Kawakatsu, Peilong Chen, and Chun-Yi David Lu
    • Journal Title

      J. Chem. Phys

      Volume: 138 Issue: 19

    • DOI

      10.1063/1.4802963

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Kinetic pathways of sphere-to-cylinder transition in diblock copolymer melt under electric field2013

    • Author(s)
      Dung Ly, Marco Pinna, Takashi Honda, Toshihiro Kawakatsu, and Andrei Zvelindovsky
    • Journal Title

      J. Chem. Phys.

      Volume: 138 Issue: 7

    • DOI

      10.1063/1.4791639

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] The density functional theory of chiral block copolymer melts2013

    • Author(s)
      Shih-Hao Wang, Toshihiro Kawakatsu, P. Chen, and C.-Y. David Lu
    • Journal Title

      J. Chem. Phys.

      Volume: 未定

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Presentation] ベクトルオーダーパラメーターを用いた自己無撞着場理論の応用2015

    • Author(s)
      大矢豊大,森井洋平,川勝年寛,岡部朋永
    • Organizer
      日本物理学会 第70回年次大会
    • Place of Presentation
      早稲田大学・早稲田キャンパス(東京)
    • Year and Date
      2015-03-21 – 2015-03-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] トポロジー効果を取り入れた高分子の自己無撞着場理論2014

    • Author(s)
      大矢豊大、森井洋平、川勝年洋
    • Organizer
      日本物理学会2014年秋期大会
    • Place of Presentation
      中部大学・春日井キャンパス(春日井)
    • Year and Date
      2014-09-07 – 2014-09-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] Hybrid field theories for complex domains in polymer/membrane systems2014

    • Author(s)
      Toshihiro Kawakatsu
    • Organizer
      Computational condensed matter: advances and challenges (CompMat2014) (Pre Symposium)
    • Place of Presentation
      Whitehaven, The Lake District, UK
    • Year and Date
      2014-09-07 – 2014-09-09
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Theories and Computer Simulations on Structure and Dynamics of Complex Fluids2014

    • Author(s)
      Toshihiro Kawakatsu
    • Organizer
      An International Winter School and Symposium on Statistical Mechanics and Simulation of Nonlinear Dynamics
    • Place of Presentation
      Changsha, China
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] 高分子と膜構造の粗視化モデルによるマルチスケールシミュレーション2014

    • Author(s)
      川勝年洋
    • Organizer
      13-6 ポリマーフロンティア21
    • Place of Presentation
      東京工業大学, 東京
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] Dynamics of complex domains in polymer-surfactant systems2013

    • Author(s)
      Toshihiro Kawakatsu
    • Organizer
      Collaborative Conference on 3D & Materials Research (CC3DMR) 2013
    • Place of Presentation
      Jeju, South Korea
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] Field theoretic approaches to polymer/membrane systems2013

    • Author(s)
      Toshihiro Kawakatsu
    • Organizer
      International workshop on mesoscale dynamics on interface 2013
    • Place of Presentation
      Beihang University, Beijing, China
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] Hybrid field theories for complex domains in polymer-surfactant systems2013

    • Author(s)
      Toshihiro Kawakatsu
    • Organizer
      2013 Northeastern Asian Symposium on High Performance Computing Methods and Modeling
    • Place of Presentation
      Chengdu, China
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] 高分子・界面活性剤系のハイブリッド・シミュレーション手法に基づく構造と物性予測2012

    • Author(s)
      川勝年洋
    • Organizer
      2012年度高分子基礎物性研究会・高分子計算機科学研究会・高分子ナノテクノロジー研究会 合同討論会
    • Place of Presentation
      東京工業大学 蔵前会館
    • Related Report
      2012 Research-status Report
    • Invited

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Published: 2013-05-31   Modified: 2019-07-29  

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