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HIERARCHICAL SIMULATION FOR THE DEVELOPMENT OF POLYMER MATERIALS

Research Project

Project/Area Number 09305061
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field 高分子構造・物性(含繊維)
Research InstitutionNAGOYA UNIVERSITY

Principal Investigator

DOI Masao  Nagoya Univ., Engineering, Professor, 工学研究科, 教授 (70087104)

Co-Investigator(Kenkyū-buntansha) ISHII Kasyuya  Nagoya Univ., Engineering, Professor, 工学研究科, 助教授 (60134441)
SUGIHARA Masaaki  Nagoya Univ., Engineering, Professor, 工学研究科, 教授 (80154483)
KANEDA Yukio  Nagoya Univ., Engineering, Professor, 工学研究科, 教授 (10107691)
TANIGUCHI Takashi  Nagoya Univ., Engineering, Assistant Professor, 工学研究科, 助手 (60293669)
KAWAKATU Toshihiro  Nagoya Univ., Engineering, Associate Professor, 工学研究科, 助教授 (20214596)
松本 充弘  名古屋大学, 工学研究科, 助教授 (10229578)
Project Period (FY) 1997 – 1999
Project Status Completed (Fiscal Year 1999)
Budget Amount *help
¥33,100,000 (Direct Cost: ¥33,100,000)
Fiscal Year 1999: ¥4,800,000 (Direct Cost: ¥4,800,000)
Fiscal Year 1998: ¥8,700,000 (Direct Cost: ¥8,700,000)
Fiscal Year 1997: ¥19,600,000 (Direct Cost: ¥19,600,000)
KeywordsHierarchical Simulation / Mesoscopic Structure / Mesoscopic Molecular Dynamics / Reptation Dynamics / 分散構造 / ボロノイ分割
Research Abstract

The purpose of this project is to construct a software system which relates the material properties of polymers with their molecular structures using modern theory of polymer dynamics. As the time scale involved in polymeric systems extends over many decades (from pico seconds to days), we proposed a new simulation scheme called "Hierarchical Simulation", and
(1) developed new modeling for the mesosclae dynamics of polymers,
(2) constructed simulation softwares based on those models, and
(3) designed a system which combines these various softwares
Outcomes of this research are as follows.
(1) We constructed a new model which describes the rheological properties of linear and branched polymers. We also developed a computational scheme which predicts the structure of polymers in the phase separation and near the interfaces.
(2) We developed three general-purpose simulation engines
(2.1) rheological simulator, (2.2) interfacial simulator and (2.3) non-linear field solver.
(3) We designed a general engine-user interface which can handle data browsing, data editing and data displaying for all simulators.
As a result of these prototype system for hierarchical simulation, we now have a clear view for the future development.

Report

(4 results)
  • 1999 Annual Research Report   Final Research Report Summary
  • 1998 Annual Research Report
  • 1997 Annual Research Report
  • Research Products

    (73 results)

All Other

All Publications (73 results)

  • [Publications] A. Subbotin: "Friction in strongly confined Polymer melts : Effect of Polymer Bridges"Physical Review E. 56(No.1). 623-630 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Hasegawa: "Adsorption Dynamics. Extension of self-Consistent Field Theory to Dynamical Problems"Macromolecules. 30(No.10). 3086-3089 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] A. Ogawa: "Viscosity equation for concentrated suspensions of charged colloidal particles"J. of Rheology. 41(No.3). 769-785 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Hasegawa: "Dynamical Mean Field Calculation of Grafting Reaction of End-Functionalized Polymer"Macromolecules. 30(No.18). 5490-5493 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] N. Torikai: "Neutron Reflection Studies on Segment Distribution of Block Chains in Lamellar Microphase-Separated Structures"Macromolecules. 30. 2907 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Kawakatsu: "Effects of Changes in the Chain Conformation on the Kinetics of Order-Disorder Transitions in Blockcopolymer Melts"Phys. Rev. E. 30. 2907 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] 川勝年洋: "両親媒性分子の作る膜の弾性理論と動力学---統計力学の立場から---"日本バイオレオロジー学会誌. 12(No.2). 17 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Xue-Feng Yuan: "A general approach for modelling complex fluids : its application to concentrated emulsioms under shear"Colloids and surfaces A Physicochemical and Engineering Aspects. 144. 305-318 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Ito: "Molecular dynamics simulation of polymer film"Fluid Phase Equilibria. 144. 395-401 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] D. W. Mead: "A Molecular Theory for Fast Flows of Entangled Polymers"Macromolecules. 31(No.22). 7895-7914 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Rzehak: "Partial Draining of a Tethered Polymer in Flow"Europhys. Lett.. 46(No.6). 821-826 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Rzehak: "Brownian Dynamics of Tethered Polymers in Flow, in Molecular Dynamics on Parallel Computers"M. Attig. et al., ed. World Scientific. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Aoyagi: "Molecular Dynamics Simulation of Entangled Polymers in Shear Flow Dynamics of Complex Systems"Computational and Theoretical Polymer Science. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Monzen: "Micelle Formation in Triblock Copolymer Solutions"Comput. Theoret. Polym. Sci.. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Okuzono: "A Hierarchical Model in Multi-Phase Flow"Phyc. Rev. E. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Rzhak: "Deformation of a Tethered Polymer in Uniform Flow"Euro. Phys. J. B.. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] S. Urashita: "Morphologies of Multiphase Polymer Blend Systems"Prog. Theoret. Phys. Suppl.. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] 川勝年洋: "講義ノート「高分子の相転移とダイナミクス-統計力学理論とシミュレーション-"物性研究. 72(No.5). 555-669 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Y. Okabe: "Application of Monte Carlo Method to Phase Separation Dynamics of Complex Systems"J. Mod. Phys. C. 10(No.8). 1513-1520 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Kawakatsu: "Dynamic Density Functional Approach to Phase Separation Dynamics of Polymer Systems"Int. J. Mod. Phys. C. 10(No.8). 1531-1540 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Doi: "Dynamics of Domains and Textures ed., Mcleish"Kluger. 293-314 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Hasegawa: "The Physics of Complex Liquids ed. F. Yonezawa"World Science. 388(199-213) (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Doi: "Macromolecular Science and Engineering ed. Y. Tanabe"Springer. 400(288-299) (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] 土井正男: "材料設計シミュレーション 化学工学の進歩 33 先端材料制御工学"槇書店. 143-154 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] 川勝年洋: "モレキュラーダイナミクスとシミュレーション ポリマーABCハンドブック 基礎編第5章"(株)エヌ・ティー・エス(in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Subbotin, A. Semenov, M. Doi: "Friction in strongly confined Polymer melts : Effect of Polymer Bridges"Physical Review E. 56 (No. 1). 623-630 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Hasegawa, M. Doi: "Adsorption Dynamics. Extension of self-Consistent Field Theory to Dynamical Problems"Macromolecules. 30 (No.10). 3086-3089 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] A. Ogawa, H. Yamada, S. Matsuda, K. Okajima, M. Doi: "Viscosity equation for concentrated suspensions of charged colloidal particles"J. of Rheology. 41 (No. 3). 769-785 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Hasegawa, M. Doi: "Dynamical Mean Field Calculation of Grafting Reaction of End-Functionalized Polymer"Macromolecules. 30 (No.18). 5490-5493 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] N. Torikai, I. Noda, A. Karim, S. K. Satija, Charls C. Han, Y. Matsushita T. Kawakatsu: "Neutron Reflection Studies on Segment Distribution of Block Chains in Lamellar Microphase-Separated Structures"Macromolecules. 30. 2907 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Kawakatsu: "Effects of Changes in the Chain Conformation on the Kinetics of Order-Disorder Transitions in Block copolymer Melts"Phys. Rev. E. 56(No.3). 3240-3250 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Ito, M. Matsumoto, M. Doi: "Molecular dynamics simulation of polymer film"Fluid Phase Equilibria. 144. 395-401 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] D. W. Mead, R. G. Larson, M. Doi: "A Molecular Theory for Fast Flows of Entangled Polymers"Macromolecules. 31 (No.22). 7895-7914 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Kawakatsu: "Ryoshinbaiseibunshi no tukurumaku nodanseiriron to Dorikigaku-Tokeirikigaku no Tachibakara"Nihon Baio Rheology Gakkaishi. 12 (No.2). 17 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Xue-Feng Yuan, Masao Doi: "A general approach for modeling complex fluids : its application to concentrated emulsions under shear"Colloids and surfaces A Physicochemical and Engineering Aspects. 144. 305-318 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Rzehak, D. Kienle, T. Kawakatsu, W. Zimmermann: "Partial Draining of a Tethered Polymer in Flow"Europhys Lett.. 46 (No.6). 821-826 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Rzehak, D. Kienle, T. Kawakatsu, W. Zimmermann: "Brownian Dynamics of Tethered Polymers in Flow, in Molecular Dynamics on Parallel Computers"M. Attig, et al., ed World Scientific, Singapore. (in press). (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Y. Okabe, T. Miyajima, T. Ito, T. Kawakatsu: "Application of Monte Carlo Method to Phase Separation Dynamics of Complex Systems"J. Mod. Phys. C. 10 (No.8). 1513-1520 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Kawakatsu, R. Hasegawa, M. Doi: "Dynamic Density Functional Approach to Phase Separation Dynamics of Polymer Systems"Int. J. Mod. Phys. C. 10(No.8). 1531-1540 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Okuzono, H. Shibuya, M. Doi: "A Hierarchical Model in Multi-Phase Flow"Phys. Rev. E.. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Monzen, T. Kawakatsu, M. Doi: "Micelle Formation in Triblock Copolymer Solutions"Comput. Theoret. Polym. Sci. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Aoyagi, M. Doi: "Molecular Dynamics Simulation of Entangled Polymers in Shear Flow"Computational and Theoretical Polymer Science. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Rzehak, W. Kromen, T. Kawakatsu, W. Zimmermann: "Deformation of a Tethered Polymer Blend Systems"Euro. Phys. J.B. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] S. Urashita, T. Kawakatsu, M. Doi: "Morphologies of Multiphase Polymer Blend Systems"Prog. Theoret. Phys. Suppl.. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Kogi note: "Kobunshi no Sotenni to Dynamics-Tokeirikigakuriron to Simulation"Bussei Kenkyu. 72(No.5). 555-669 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] M. Doi: "Dynamics of Domains and Textures T. Mcleish (ed.), Theoretical Challenges in the Dynamics of Complex Fluids"Kluger. 293-314 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] R. Hasegawa, M. Doi: "Mesoscopic Models for Polymer Dynamics The Physics of Complex Liquids. ed F. Yonezawa et al"World Science. 199-213 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] Masao Doi: "Computer Simulation of Polymers Macromolecular Science and Engineering ed. Y.Tanabe"Springer. 288-299 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Kawakatsu: "Zairyosekkei Simulation Kagakukogaku no Shinpo 33 Sentan Zairyo Kougaku"Maki Shoten. 143-154 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] T. Kawakatsu: "Molecular Dynamics and Simulation Polymer ABC Handbook 5"NTS. ((in press))

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] 川勝 年洋: "マイクロエマルジョンの物理---粗視化モデルを用いてそのダイナミクスを探る"表面. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] 本田 隆: "平均場理論による高分子のメソ領域シミュレーション"高分子論文集 特集号「目で見る高分子-高分子系がつくるパターン」. 56(No.12). 762-771 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] 森田 裕史: "動的平均場法を用いたポリマーブレンド薄膜の内部構造及び表面構造の解析"高分子論文集 特集号「目で見る高分子-高分子系がつくるパターン」. 56(No.10). 674-683 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] 川勝 年洋: "講義ノート「高分子の相転移とダイナミクス-統計力学理論とシミュレーション-"物性研究. 72(No.5). 555-669 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] R.Rzehak: "Deformation of a Tethered Polymer in Uniform Flow"Euro. Phys. J. B.. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] S.Urashita: "Morphologies of Multiphase Polymer Blend Systems"Prog. Theoret. Phys. Suppl. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] R.Rzehak: "Partial Draining of a Tethered Polymer in Flow"Europhys. Lett.. 46(No.6). 821-826 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] R.Rzehak: "Brownian Dynamics of Tethered Polymers in Flow,in Molecular Dynamics on Parallel Computers"M.Attig,et al.,ed.World Scientific. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] T.Aoyagi: "Molecular Dynamics Simulation of Entangled Polymers in Shear Flow Dynamics of Complex Systems,"Computational and Int. J. Mod. Phys. C. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] M.Monzen: "Micelle Formation in Triblock Copolymer Solutions"Comput. Theoret. Polym. Sci. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] T.Okuzono: "A Hierarchical Model in Multi-Phase Flow"Phyc. Rev. E. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] Y.Okabe: "Application of Monte Carlo Method to Phase Separation Dynamics of Complex Systems"J. Mod. Phys. C. 10(No.8). 1513-1520 (2000)

    • Related Report
      1999 Annual Research Report
  • [Publications] T.Kawakatsu: "Dynamic Density Functional Approach to Phase Separation Dynamics of Polymer Systems"Int. J. Mod. Phys. C. 10(No.8). 1531-1540 (2000)

    • Related Report
      1999 Annual Research Report
  • [Publications] 土井正男: "材料設計シミュレーション 化学工学の進歩 33 先端材料制御工学"槇書店. 143-154 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] 川勝年洋: "モレキュラーダイナミクスとシミュレーション ポリマーABCハンドブック 基礎編第5章"(株)エヌ・ティー・エス(in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] R.Hasegawa: "The Physics of Complex Liquids ed. F. Yonezawa"World Science. 338(119-213) (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] M.Doi: "Macromolecular Science and Engineering ed. Y. Tanabe"Springer. 400(288-299) (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] K.Tajiri: "Transient Response of Electrorheological Effect to a Step Field in an Immiscible Poly-mer Blend:First Mode in Type I Blend" J.Rheol.5(42). 1175-1184 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] H.Orihara: "Dielectric Properties of an Immiscible Polymer Blend with Electrorheological Effect" J.Phys.Soc.Japan. 67(2). 655-657 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] M.Ito.: "Molecular Dynamics Simulation of Polymer Film" Fluid Phase Equilibria. 144. 395-401 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] D.W.Mead: "A Molecular Theory for Fast Flows of Entangled Polymers" Macromolecules. 31(22). 7895-7914 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] Xue-Feng Yuan: "A genaral approach for modelling complex fluids application to concentrated emul-sions under shear" Colloids and Surface. 144. 305-318 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] D.Chen.: "Microstructure and Viscosity of Aggregating Colloids under strong Shearing Flow" J.Colloid Int.Sci.(to be publised).

    • Related Report
      1998 Annual Research Report

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Published: 1997-04-01   Modified: 2016-04-21  

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