• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Development of nano-structured material based on computer simulation of rod-like particles

Research Project

Project/Area Number 15607002
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field 計算科学
Research InstitutionYamagata University

Principal Investigator

KODA Tomonori  Yamagata University, Department of Engineering, Associate Professor, 工学部, 助教授 (60261715)

Co-Investigator(Kenkyū-buntansha) IKEDA Susumu  Yamagata University, Department of Engineering, Professor, 工学部, 教授 (30007025)
NISHIOKA Akihiro  Yamagata University, Department of Engineering, Assistant Professor, 工学部, 助手 (50343075)
Project Period (FY) 2003 – 2004
Project Status Completed (Fiscal Year 2004)
Budget Amount *help
¥3,700,000 (Direct Cost: ¥3,700,000)
Fiscal Year 2004: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 2003: ¥3,200,000 (Direct Cost: ¥3,200,000)
KeywordsMonte Carlo simulation / liquid crystal / complex system / rigid molecules / nanotechnology / 酸化チタン
Research Abstract

Recent development of nanotechnology recognizes importance of control of nano-scale structure. The fact that rod-like and disc-like hard particles show various liquid crystal structures indicates possibility of control of nano-structure by using dispersions of nano-scale hard particles. In this project we planned computer simulations that studied structures made by rod-like particles and disc-like particles. We also planned experiments with which we examined control of material property by adding rod-like particles or rod-like molecules.
Spherocylinder is a model representing a rod-like particle. It is a cylinder each end of which is capped with a hemisphere. Its shape is determined by a sweep of the center of a sphere on a line segment. In this research project, we proposed novel type of model particle named spherical disc. It is an extension of the spherocylinder to a disc-like shape. Its shape is determined by a sweep of the center of a sphere on a disc.
We examined results of Monte Carlo simulation of binary mixtures of parallel hard spherocylinders and hard spheres to propose an approximation form of equation-of-state of the mixtures. Molecular dynamics simulation of the mixtures shows that formation of smectic layer structure disturbs interlayer diffusion of molecules.
Simulation results of monodisperse hard spherical discs indicates that disc-like particles show strong affinity to form columns. Simulation snapshots show local column structures in global isotropic structures. Dispersed column clusters of discs is observed in Monte Carlo simulation of binary mixtures of hard spherical discs of different diameters.

Report

(3 results)
  • 2004 Annual Research Report   Final Research Report Summary
  • 2003 Annual Research Report
  • Research Products

    (24 results)

All 2005 2004 2003 Other

All Journal Article (20 results) Patent(Industrial Property Rights) (2 results) Publications (2 results)

  • [Journal Article] Molecular theory on binary mixtures of hard rods in an external field2004

    • Author(s)
      H.Matsuda, T.Koda, A.Nishioka, S.Ikeda
    • Journal Title

      Journal of the Physical Society of Japan 73

      Pages: 2753-2758

    • NAID

      130005043640

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] 高分子強誘電体に分散した液晶が自発分極から受ける影響2004

    • Author(s)
      香田智則, 池田 進
    • Journal Title

      高分子加工 53

      Pages: 160-165

    • NAID

      40006169418

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Molecular dynamics simulation of mixtures of hard rod-like molecules2004

    • Author(s)
      T.Koda, S.Ikeda
    • Journal Title

      AIP Conference Proceedings 708

      Pages: 152-153

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Theory for the switching of nematic director deformations2004

    • Author(s)
      H.Matsuda, T.Koda, S.Ikeda
    • Journal Title

      AIP Conference Proceedings 708

      Pages: 134-135

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Memory effect of liquid crystals dispersed in ferroelectric copolymer of vinylidene fluoride and trifluoroethylene2004

    • Author(s)
      T.Koda, T.Takahashi, Y.Maeyanagi, A.Nishioka, S.Ikeda
    • Journal Title

      Transactions of the Materials Research Society of Japan 29

      Pages: 839-841

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Molecular theory on binary mixtures of hard rods in an external field2004

    • Author(s)
      H.Matsuda, T.Koda, A.Nishioka, S.Ikeda
    • Journal Title

      Journal of the Physical Society of Japan 73(10)

      Pages: 2753-2758

    • NAID

      130005043640

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Molecular dynamics simulation of mixtures of hard rod-like molecules.2004

    • Author(s)
      T.Koda, S.Ikeda
    • Journal Title

      AIP Conference Proceedings 708

      Pages: 152-153

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Memory effect of liquid crystals dispersed in ferroelectric copolymer of vinylidene fluoride and trifluoroethylene.2004

    • Author(s)
      T.Koda, T.Takahashi, Y.Maeyanagi, A.Nishioka, S.Ikeda
    • Journal Title

      Transactions of the Materials Research Society of Japan 29(3)

      Pages: 839-841

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Molecular theory on binary mixture of hard rods in an external field2004

    • Author(s)
      H.Matsuda, T.Koda, A.Nishioka, S.Ikeda
    • Journal Title

      Journal of the Physical Society of Japan 73・10

      Pages: 2735-2758

    • NAID

      130005043640

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Examination of appearance of biaxial nematic phase for the rod-disc mixtures using symmetry breaking potential method2003

    • Author(s)
      H.Matsuda, T.Koda, S.Ikeda, H.Kimura
    • Journal Title

      Journal of the Physical Society of Japan 72

      Pages: 2243-2249

    • NAID

      110001974316

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Nematic liquid crystals dispersed in a ferroelectric copolymer of vinylidene fluoride and trifluoroethylene2003

    • Author(s)
      T.Koda, T.Shimizu, S.Imai, T.Takahashi, A.Nishioka, S.Ikeda
    • Journal Title

      Japanese Journal of Applied Physics 42

      Pages: 4426-4430

    • NAID

      10011259029

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] 剛体棒-剛体球2成分系の状態方程式2003

    • Author(s)
      香田智則, 松田浩充, 西岡昭博, 池田 進
    • Journal Title

      物性研究 81

      Pages: 319-320

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Examination of appearance of biaxial nematic phase for the rod-disc mixtures using symmetry breaking potential method2003

    • Author(s)
      H.Matsuda, T.Koda, S.Ikeda, H.Kimura
    • Journal Title

      Journal of the Physical Society of Japan 72(9)

      Pages: 2243-2249

    • NAID

      110001974316

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Nematic liquid crystals dispersed in a ferroelectric copolymer of vinylidene fluoride and trifluoroethylene.2003

    • Author(s)
      T.Koda, T.Shimizu, S.Imai, T.Takahashi, A.Nishioka, S.Ikeda
    • Journal Title

      Japanese Journal of Applied Physics 42(7A)

      Pages: 4426-4430

    • NAID

      10011259029

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Computer simulation of binary mixtures of anisotropic hard particles

    • Author(s)
      T.Koda, A.Nishioka, S.Ikeda
    • Journal Title

      Journal of Physics : Condensed Matter (in press)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Local alignment order in isotropic structure of hard spherical discs

    • Author(s)
      T.Koda, A.Nishioka, S.Ikeda
    • Journal Title

      Molecular Crystals and Liquid Crystals (in press)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Computer simulation of binary mixtures of anisotropic hard particles.

    • Author(s)
      T.Koda, A.Nishioka, S.Ikeda
    • Journal Title

      Journal of Physics : Condensed matter (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Local alignment order in isotropic structure of hard spherical discs.

    • Author(s)
      T.Koda, A.Nishioka, S.Ikeda
    • Journal Title

      Molecular Crystals and Liquid Crystals (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Local alignment order in isotropic structure of hard spherical discs

    • Author(s)
      T.Koda, A.Nishioka, S.Ikeda
    • Journal Title

      Molecular Crystals and Liquid Crystals (印刷中)

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Computer simulation of binary mixture of anisotropic hard particles

    • Author(s)
      T.Koda, A.Nishioka, S.Ikeda
    • Journal Title

      Journal of Physics Condensed Matter (印刷中)

    • Related Report
      2004 Annual Research Report
  • [Patent(Industrial Property Rights)] 棒状酸化チタン異方配向膜および棒状酸化チタン異方配向膜の製造方法2005

    • Inventor(s)
      香田 智則, 宝喜真身他
    • Industrial Property Rights Holder
      触媒化成工業(株)
    • Industrial Property Number
      2005-077554
    • Filing Date
      2005-03-17
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Patent(Industrial Property Rights)] 棒状酸化チタン異方配向膜および棒状酸化チタン異方配向膜の製造方法2005

    • Inventor(s)
      香田 智則, 宝喜 真身, 西岡 昭博 他
    • Industrial Property Rights Holder
      触媒化成工業株式会社
    • Industrial Property Number
      2005-077554
    • Filing Date
      2005-03-17
    • Related Report
      2004 Annual Research Report
  • [Publications] T.Koda, T.Shimizu, S.Imai, T, Takahashi, A.Nishioka, S.Ikeda.: "Nematic liquid crystals dispersed in a ferroelectric copolymer of vinyylidene fluoride"Japanese Journal of Applied Physics. 42. 4426-4430 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] H.Matsuda, T.Koda, S.Ikeda, H.Kimura: "Examination of appearance of biaxial nematic phase for the rod-disc mixtures using symmetry breaking potential method"Journal of the Physical Society of Japan. 72. 2243-2249 (2003)

    • Related Report
      2003 Annual Research Report

URL: 

Published: 2003-04-01   Modified: 2016-04-21  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi