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2010 Fiscal Year Final Research Report

Dynamical theories on inhomogeneous polymer systems ranging from the microscopic to macroscopic scales

Planned Research

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Project AreaCreation of non-equilibrium soft matter physics: Structure and dynamics of mesoscopic systems
Project/Area Number 18068002
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionTohoku University

Principal Investigator

KAWAKATSU Toshihiro  東北大学, 大学院・理学研究科, 教授 (20214596)

Co-Investigator(Renkei-kenkyūsha) SATO Katsuhiko  東北大学, 大学院・理学研究科, 助教 (90513622)
DEGUCHI Tetsuo  お茶の水女子大学, 理学部, 教授 (70227544)
Project Period (FY) 2006 – 2010
Keywordsソフトマター / ミクロ相分離 / メンスケール / 動力学 / 相転移 / 粗視化モデル / 自己無撞着場理論 / 高分子
Research Abstract

In order to study inhomogeneous polymeric systems, we developed multi-scale theories ranging from microscopic monomeric scales to macroscopic hydrodynamic scales. Our main methodology is the density functional theory with which one can describe polymer systems on the coarse-grained level. By extending this theory to dynamical phenomena, we studied structure formation and structural transition of phase separated polymer systems under an external electric field or a flow field. We also developed a hybrid approaches by combining this density functional theory with molecular models or by combining it with membrane models, and studied their behavior by computer simulations.

  • Research Products

    (29 results)

All 2010 2009 2008 2007 2006

All Journal Article (13 results) (of which Peer Reviewed: 13 results) Presentation (14 results) Book (2 results)

  • [Journal Article] Pressure Calculation in Hybrid Particle Field Simulations2010

    • Author(s)
      Giuseppe Milano and Toshihiro Kawakatsu
    • Journal Title

      J. Chem. Phys.

      Volume: Vol.133 Pages: 214102-1-214102-13

    • Peer Reviewed
  • [Journal Article] A Theory on Auto-oscillation and Contraction in Striated Muscle2010

    • Author(s)
      Katsuhiko Sato, Masako Ohtaki, Yuta Shimamoto, and Shin'ichi Ishiwata
    • Journal Title

      Prog. Biophys. Mol. Biol.

      Volume: Vol.105 Pages: 199-207

    • Peer Reviewed
  • [Journal Article] Why does Shear Banding Behave Like First-order Phase Transitions? Derivation of a Potential from a Mechanical Constitutive Model2010

    • Author(s)
      Katsuhiko Sato, Xue Feng Yuan, and Toshihiro Kawakatsu
    • Journal Title

      Eur. Phys. J. E

      Volume: Vol.31 Pages: 135-144

    • Peer Reviewed
  • [Journal Article] Electric Field-induced Transitions in Perforated Lamella of ABA Triblock Copolymer Thin Film2009

    • Author(s)
      Dung Q. Ly, Takashi Honda, Toshihiro Kawakatsu, and Andrei V Zvelindovsky
    • Journal Title

      Soft Matter

      Volume: Vol.5 Pages: 4814-4822

    • Peer Reviewed
  • [Journal Article] Hybrid Particle-Field Molecular Dynamics Simulations for Dense Polymer Systems2009

    • Author(s)
      Giuseppe Milano and Toshihiro Kawakatsu
    • Journal Title

      J. Chem. Phys.

      Volume: Vol.130 Pages: 214106-1-214106-8

    • Peer Reviewed
  • [Journal Article] Dimension of Ring Polymers in Bulk Studied by Monte-Carlo Simulation and Self-consistent Theory2009

    • Author(s)
      Jiro Suzuki, Atsushi Takano, Tetsuo Deguchi, and Yushu Matsusita
    • Journal Title

      J. Chem. Phys.

      Volume: Vol.131 Pages: 144902-1-144902-6

    • Peer Reviewed
  • [Journal Article] Transition in Domain Morphology of Block Copolymer Undergoing Polymerization2008

    • Author(s)
      You Iida, Toshihiro Kawakatsu, Ryuhei Motokawa, Satoshi Koizumi, and Takeji Hashimoto
    • Journal Title

      Macromolecules

      Volume: Vol.41 Pages: 9722-9726

    • Peer Reviewed
  • [Journal Article] Hydrodynamic Effects on the Disorder-to-Order Transitions of Diblock Copolymer Melts2008

    • Author(s)
      Takashi Honda and Toshihiro Kawakatsu
    • Journal Title

      J. Chem. Phys.

      Volume: Vol.129 Pages: 114904-1-114904-8

    • Peer Reviewed
  • [Journal Article] Three-Dimensional Visualization of a Single Block Copolymer in Lamellar Nanodomains2008

    • Author(s)
      Hiroshi Morita, Toshihiro Kawakatsu. Masao Doi, Toshio Nishi, and Hiroshi Jinnai
    • Journal Title

      Macromolecules

      Volume: Vol.41 Pages: 4845-4849

    • Peer Reviewed
  • [Journal Article] Hexagonally Perforated Lamella-to-Cylinder Transition in a Diblock Copolymer Thin Film under an Electric Field2008

    • Author(s)
      Dung Q. Ly, Takashi Honda, Toshihiro Kawakatsu. And Andrei V Zvelindovsky
    • Journal Title

      Macromolecules

      Volume: Vol41 Pages: 4501-4505

    • Peer Reviewed
  • [Journal Article] Kinetic Pathway of Gyroid-to-Cylinder Transition in Diblock Copolymer Melt Under Electric Field2007

    • Author(s)
      Dung Q.Ly, Takashi Honda, Toshihiro Kawakatsu, and Andrei V Zvelindovsky
    • Journal Title

      Macromolecules

      Volume: Vol.40 Pages: 2928-2935

    • Peer Reviewed
  • [Journal Article] Hybrid Dynamic Density Functional Theory for Polymer Melts and Blends2007

    • Author(s)
      Takashi Honda and Toshihiro Kawakatsu
    • Journal Title

      Macromolecules

      Volume: Vol.40 Pages: 1227-1237

    • Peer Reviewed
  • [Journal Article] Computer simulation of reaction-induced self-assembly of cellulose via enzymatic polymerization2006

    • Author(s)
      Toshihiro Kawakatsu, Hirokazu Tanaka, Satoshi Koizumi, and Takeji Hashimoto
    • Journal Title

      Phys.: Condens. Matter

      Volume: Vol.18 Pages: S2499-S2512

    • Peer Reviewed
  • [Presentation] Coarse-Grained Dynamical Models for Self-Assembling Amphiphilic Molecules2010

    • Author(s)
      Toshihiro Kawakatsu
    • Organizer
      43rd IUPAC World Polymer Congress
    • Place of Presentation
      Glasgow, United Kingdom
    • Year and Date
      2010-07-14
  • [Presentation] Self-Consistent Field Theory for Polymers under Confinement2010

    • Author(s)
      Toshihiro Kawakatsu
    • Organizer
      Self-Assembly of Block Copolymers: Theoretical Models and Mathematical Challenges
    • Place of Presentation
      Banff, Canada
    • Year and Date
      2010-05-26
  • [Presentation] Theory on Auto-oscillation of Striated Muscle (SPOC)2010

    • Author(s)
      Katsuhiko Sato, Masako Ohtaki, Yuta Shimamoto, Shin'ichi Ishiwata
    • Organizer
      the Biophysical Society 54th Annual Meeting
    • Place of Presentation
      San Francisco, USA
    • Year and Date
      2010-02-24
  • [Presentation] Effective Scaling Approximations for Knotting Probability, Topological Swelling and the Distance Distribution of Random Knots2010

    • Author(s)
      Tetsuo Deguchi and Yoko Akita
    • Organizer
      Mathematics and physics of polymer entanglement: Emerging concepts and biomedical applications
    • Place of Presentation
      Banff, Canada
    • Year and Date
      2010-01-11
  • [Presentation] A Chain of Linked Ring Polymers in Solution via Brownian Dynamics2009

    • Author(s)
      Tetsuo Deguchi and Naoko Kanaeda
    • Organizer
      San Francisco International Meeting on DNA Topology
    • Place of Presentation
      San Francisco, United States of America
    • Year and Date
      2009-04-26
  • [Presentation] Why does Shear Banding Result in Unique Coexistent Phases?2009

    • Author(s)
      Katsuhiko Sato, Xue-Feng Yuan, and Toshihiro Kawakatsu
    • Organizer
      AERC 2009 5th Annual European Rheology Conference
    • Place of Presentation
      Cardiff, United Kingdom
    • Year and Date
      2009-04-17
  • [Presentation] Why Does the Mechanical Instability in Shear Banding Flow Look Like a First-Order Phase Transition?2008

    • Author(s)
      Katsuhiko Sato, Xue-Feng Yuan and Toshihiro Kawakatsu
    • Organizer
      A Rigorous ProofBritish Society of Rheology Midwinter Meeting
    • Place of Presentation
      Leeds, England
    • Year and Date
      2008-12-15
  • [Presentation] Structure and Dynamics of Mesophases of Polymeric Nanomaterials2008

    • Author(s)
      Toshihiro Kawakatsu
    • Organizer
      Fudan-Tohoku Joint Workshop
    • Place of Presentation
      Shanghai, China
    • Year and Date
      2008-11-14
  • [Presentation] Development of Dynamic Density Functional Theories of Multiphase Dense Polymeric Systems2008

    • Author(s)
      Toshihiro Kawakatsu
    • Organizer
      IMA Annual Program Year Workshop: Development and Analysis of Multiscale Methods
    • Place of Presentation
      Minneapolis, U.S.A.
    • Year and Date
      2008-11-06
  • [Presentation] Dynamics and rheology of phase transitions in polymer systems2008

    • Author(s)
      Dung Q. Ly, Takashi Honda, Toshihiro Kawakatsu, and Andrei V. Zvelindovsky
    • Organizer
      International Symposium on Non-Equilibrium Soft Matter
    • Place of Presentation
      Kyoto, Japan
    • Year and Date
      2008-06-05
  • [Presentation] Dynamic Self-Consistent Field Theory for Dense Polymer Systems under External Fields and Constraints2008

    • Author(s)
      Dung Q. Ly, Takashi Honda, Toshihiro Kawakatsu, and Andrei V. Zvelindovsky
    • Organizer
      Workshop on Multiscale Modeling of Complex Fluids
    • Place of Presentation
      Beijing, China
    • Year and Date
      2008-05-29
  • [Presentation] A variational approach for instabilities in viscoelastic fluids2007

    • Author(s)
      Katsuhiko Sato and Toshihiro Kawakatsu
    • Organizer
      The 10th Pacific Polymer Conference
    • Place of Presentation
      Kobe, Japan
    • Year and Date
      2007-12-05
  • [Presentation] Dynamical Simulations on Morphological Transitions of Block Copolymers2007

    • Author(s)
      akashi Honda, Dung Q. Ly, Andrei V. Zvelindovsky, and Toshihiro Kawakatsu
    • Organizer
      Mesoscale Modelling for Complex Fluids and Flows
    • Place of Presentation
      Oxford, United
    • Year and Date
      2007-06-26
  • [Presentation] Mesoscopic Modelling of Block Copolymers: Structural Phase Transition between Gyroid and Others2006

    • Author(s)
      Takashi Honda, Dung Q. Ly, Andrei V. Zvelindovsky, and Toshihiro Kawakatsu
    • Organizer
      BSR (The British Society of Rheology) 2006 Annual Meeting
    • Place of Presentation
      Manchester, United Kingdom
    • Year and Date
      2006-12-11
  • [Book] Understanding Soft Condensed Matter via Modeling and Computations "Dynamic self-consistent field theories for polymer blends and block copolymers"(Wenbing Hu and An-Chang Shi, eds.)2010

    • Author(s)
      Toshihiro Kawakatsu
    • Total Pages
      105-132
    • Publisher
      World Scientific
  • [Book] Nanostructured Soft Matter "Computer Simulations of Nano-Scale Phenomena Based on the Dynamic Density Functional Theories;Applications of SUSHI in the OCTA System(A.V. Zvelindovsky, ed.)2007

    • Author(s)
      Takashi Honda and Toshihiro Kawakatsu
    • Total Pages
      461-493
    • Publisher
      Springer-Verlag

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Published: 2013-07-31   Modified: 2014-12-03  

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