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Computer Simulation of Effect of Sub-nano Particle for Dynamic and Thermal Behavior and Mechanical Properties in Amorphous and Crystalline Materials

Research Project

Project/Area Number 15560598
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Structural/Functional materials
Research InstitutionGunma University

Principal Investigator

AIHARA Tomoyasu  Gunma University, Faculty of Engineering, Graduate School, Associate Professor, 大学院・工学研究科, 助教授 (00231100)

Project Period (FY) 2003 – 2004
Project Status Completed (Fiscal Year 2004)
Budget Amount *help
¥3,000,000 (Direct Cost: ¥3,000,000)
Fiscal Year 2004: ¥900,000 (Direct Cost: ¥900,000)
Fiscal Year 2003: ¥2,100,000 (Direct Cost: ¥2,100,000)
KeywordsNnao-Material / Nano-Crystal / Amorphous / High Speed Deformation / Molecular Dynamics / Plastic Deformation / Mechanical Property / Sub-nanometer
Research Abstract

1.Molecular dynamics simulation was performed for damage of composites consisting of a coated layer and a substrate by nano indentation. Factors for the change of mechanical properties are analyzed. Simulation model is consisted of an indenter in the form of a right pyramid with a square base, coated layer and substrate. Interatomic potential are approximated by Lennard-Jones potential. The indenter is forced into the coated layer under constant load and temperature condition. Atomistic structure difference of the material, i.e., binary amorphous and fcc crystalline structure and width of the coated layer are changed. Elastic constant, lattice constant and binding energy between coated layer and substrate are controlled by the interatomic potential parameters. Large Young's modulus of the coated layer reduces the damage of layer. Compressive coherency strain in coating layer causes less damage of the material.
2.Molecular dynamics simulation is performed for tensile deformation of Nano-crystal dispersed amorphous solid under constant stress condition. The system consists of Xe nano crystals and an Ar-Xe amorphous matrix. Effects of molar ratio of nano crystal, binding energy at inerface and elastic constants of nano crystal to strain rate and yield stress of the amorphous composit are analyzed. Rigidity modulus calculated from Young's modulus and bulk modulus satisfies the linear mixing law.

Report

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

    (12 results)

All 2004 2003 Other

All Journal Article (10 results) Publications (2 results)

  • [Journal Article] ナノ粒子分散アモルファス固体の塑性変形2004

    • Author(s)
      樋渡 祥
    • Journal Title

      日本機械学会2004年度年次大会講演論文集 No.04-1

      Pages: 229-230

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Annual Research Report 2004 Final Research Report Summary
  • [Journal Article] Atomistic computer simulation of glasses and supercooled liquids2004

    • Author(s)
      Tomoyasu AIHARA
    • Journal Title

      The 1^<st> KITECH-KU Symposium on Bulk Metallic Glasses and Pulsed-Power Processing 1

      Pages: 15-15

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Annual Research Report 2004 Final Research Report Summary
  • [Journal Article] Plastic Diformation of Nano Particle Dispersed Solid2004

    • Author(s)
      Syo HIWATARI
    • Journal Title

      JSME MECJ No.04-1

      Pages: 229-230

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Atomistic computer simulation of glasses and supercooled liquids2004

    • Author(s)
      Tomoyasu AIHARA
    • Journal Title

      The 1^<th> KITECH-KU Symp.on Bulk Metallic Glasses and Pulsed-Power Processing Vol.1

      Pages: 15-15

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] ナノ粒子分散アモルファス固体の塑性変形挙動に関する分子動力学的研究2004

    • Author(s)
      相原智康
    • Journal Title

      日本金属学会2004年秋期大会講演概要 135

      Pages: 318-318

    • Related Report
      2004 Annual Research Report
  • [Journal Article] ナノインデンテーションによる非晶質ならびに結晶質薄膜の損傷に関する分子動力学的研究2004

    • Author(s)
      相原智康
    • Journal Title

      日本金属学会2004年春期大会講演概要 134

      Pages: 730-730

    • Related Report
      2004 Annual Research Report
  • [Journal Article] アモルファス固体の塑性変形挙動と弾性定数に関する分子動力学的研究2003

    • Author(s)
      松原和弘
    • Journal Title

      日本機械学会2003年度年次大会講演論文集 No.03-1 Vol.VI

      Pages: 45-46

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] コーティング層のナノレベルでの変形挙動に関する分子動力学的研究2003

    • Author(s)
      相原智康
    • Journal Title

      日本機械学会第16回計算力学講演会講演論文集 No.03-26

      Pages: 519-520

    • 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 Study of Plastic Deformation and Elastic Constant of Amorphous Solids2003

    • Author(s)
      Kazuhiro MATUBARA
    • Journal Title

      JSME MECJ No.03-1

      Pages: 45-46

    • 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 Study of Nano Level Deformation of Coated Layer2003

    • Author(s)
      Tomoyasu AIHARA
    • Journal Title

      JSME Num.Mec.Cong. No.03-26

      Pages: 519-520

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Publications] 松原和弘: "アモルファス固体の塑性変形挙動と弾性定数に関する分子動力学的研究"日本機会学会2003年度年次大会講演論文集. No.03-1 Vol.VI. 45-46 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] 相原智康: "コーティング層のナノレベルでの変形挙動に関する分子動力学的研究"日本機会学会第16回計算力学講演会講演論文集. No.03-26. 519-520 (2003)

    • Related Report
      2003 Annual Research Report

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

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