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STRUCTURE FORMATION AND DYNAMICAL STRUCTURE OF INTERFACE IN COMPLEX SYSTEMS : COMPUTER SIMULATION AND DYNAMIC ANALYSIS

Research Project

Project/Area Number 06640507
Research Category

Grant-in-Aid for General Scientific Research (C)

Allocation TypeSingle-year Grants
Research Field 物性一般(含基礎論)
Research InstitutionYAMAGUCHI UNIVERSITY

Principal Investigator

YAMAMOTO Takashi  YAMAGUCHI UNIV.Professor, 理学部, 教授 (00127797)

Co-Investigator(Kenkyū-buntansha) NOZAKI Koji  YAMAGUCHI UNIV.Assistant, 理学部, 助手 (80253136)
Project Period (FY) 1994 – 1995
Project Status Completed (Fiscal Year 1995)
Budget Amount *help
¥1,500,000 (Direct Cost: ¥1,500,000)
Fiscal Year 1995: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 1994: ¥1,000,000 (Direct Cost: ¥1,000,000)
KeywordsSTRUCTURE FORMATION / INTERFACE STRUCTURE / COMPLEX SYSTEM / COMPUTER SIMULATION / DYNAMICAL STRUCTURE / STRUCTURE ANALYSIS / コンピュータ・シミュレーション / 動的構造解析 / その場観察
Research Abstract

Long chain molecules, such as polymers and lipids, show various structures in condensed states (crystals, liquid crystals, micells, liquids, etc) and their dynamic structures are of particular interest. In this project, we have investigated the structure formation processes in long chain systems with particular interest in the dynamical structure of the interfaces.
1.Before investigation of the polymer ordering process, we have studied the structures of the solid-liquid interface by use of the computer simulation method. We have found a remarkably large disorder in the crystal surfaces and also an appreciable order in the melt near the interfaces.
2.Polymer crystallization processes were investigated by molecular dynamics simulation. The microscopic processes of the chain folded crystallization and the lamellar thickening were clarified.
3.The interdiffusion of the n-alkane molecules in the crystals were studied in situ through the optical microscopy, which was enabled by use of the mixing induced solid-state phase transformation into the rotator phase.
4.The solid-state phase transitions at low temperature were investigated by x-ray diffraction method. We have confirmed a new crystalline transition, which was found to have an origin in the onset of the chain end disordering at the interlamellar region.

Report

(3 results)
  • 1995 Annual Research Report   Final Research Report Summary
  • 1994 Annual Research Report
  • Research Products

    (23 results)

All Other

All Publications (23 results)

  • [Publications] 山本 隆: "高分子構造形成のコンピュータ・シミュレーション" 表面. 32. 369-376 (1994)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T. Yamamoto: "Evidence of active chain diffusion in the rotator phase of n-alkanes" Polymer. 35. 3340-3342 (1994)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] I. Ogura: "Molecular dynamics simulation oflarge deformation in an amorphous polymer" Polymer. 36. 1375-1381 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T. Yamamoto: "In situ optical observation of long range diffusion in an n-alkane crystals" Polymer. 36. 2505-2510 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T. Yamamoto: "Computer simulation of the crystal/melt interface in n-alkane" J, Chem. Soc. Faraday Trans.91. 2559-2564 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] K. Nozaki: "Solid-solid phase transitions in n-akanes C23H48 and C25H52" J. Chem. Phys.103. 5762-5766 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T.Yamamoto, M.Hikosaka, and N.Takahashi: "Structure and Molecular Mobility at Free Surfaces of an n-Alkane Crystal : A Monte Carlo Simulation" Macromolecules. 27. 1466-1472 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T.Yamamoto and K.Nozaki: "Evidence of active chain diffusion in the rotator phase of n-alkanes : solid-state miximg of C21H44 and C23H48" Polymer. 35. 3340-3342 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] I.Ogura, and T.Yamamoto: "Molecular dynamics simulation of large deformation in an amorphous polymer" Polymer. 36. 1375-1381 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T.Yamamoto and K.Nozaki: "In situ optical observation of long range diffusion in an n-alkane crystals" Polymer. 36. 2505-2510 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T.Yamamoto: "Computer Simulation of the Crystal/Melt Interface in n-alkane with Implication for Polymer Crystallization" J.Chem.Soc.Faraday Trans.91. 2559-2564 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] K.Nozaki, N.Higashitani, T.Yamamoto, T.Hara: "Solid-solid phase transitions in n-alkanes C23H48 and C25H52 : X-ray powder diffraction study on new layr stacking in phase V" J.Chem.Phys. 103. 5762-5766 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] 山本 隆: "高分子構造形成のコンピュータ・シミュレーション" 表面. 32. 369-376 (1994)

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Yamamoto: "Evidence of active chain diffusion in the rotator phase of n-alkane" Polymer. 35. 3340-3342 (1994)

    • Related Report
      1995 Annual Research Report
  • [Publications] I.Ogura: "Molecular dynamics simulation of large deformation in an amorphous polymer" Polymer. 36. 1357-1381 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Yamamoto: "In situ optical observation of long rabge diffusion in an n-alkane crystals" Polymer. 36. 2505-2510 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Yamamoto: "Computer simulation of the crystal/melt interface in n-alkane" J.Chem.Soc.Faraday Trans.91. 2559-2564 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Nozaki: "Solid-solid phase transitions in n-alkanes C23 and C25" J.Chem.Phys.103. 5762-5766 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] 山本 隆: "高分子構造形成のコンピュータ・シミュレーション" 表面. 15. 369-376 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] 山本 隆: "Evidence of active chain diffusion in the rota for phase of n-alkanes" Polymer. 35. 3340-3342 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] 山本 隆: "構造形成と相変化の分子シミュレーション" 繊維学会誌. 50. 537-541 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] 小倉一郎: "Molecular dynamics simulation of large detormation in an amorphous polyme" Polymer. (in print). (1995)

    • Related Report
      1994 Annual Research Report
  • [Publications] 山本 隆: "Insitu optical pbservation of long range diffusion in n-alkane cvystal" Polymer. (in print). (1995)

    • Related Report
      1994 Annual Research Report

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Published: 1994-04-01   Modified: 2016-04-21  

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