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Atomistic study on the difference in thermo-mechanical properties of metal glass and amorphous alloy

Research Project

Project/Area Number 20560095
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Materials/Mechanics of materials
Research InstitutionOsaka Prefectural College of Technology

Principal Investigator

NAKATANI Keiko  Osaka Prefectural College of Technology, 総合工学システム学科, 准教授 (60295714)

Project Period (FY) 2008 – 2010
Project Status Completed (Fiscal Year 2010)
Budget Amount *help
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2010: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2009: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2008: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Keywords計算科学 / アモルファス / ガラス / 分子動力学法 / 力学特性 / 計算化学
Research Abstract

To examine the fundamental characteristics of the geometric and mechanical structure of amorphous material on an atomic scale, molecular dynamics simulations for deformation process of a single-component atomic system are carried out under the constant-pressure condition. Voronoi polyhedron analysis and calculation of the radial distribution function and the mean square displacement are performed to study the transition of characteristic features of the atomic structure in the process. It is proven that the obtained quasi-stable atomic structures have a radial distribution with the second peak separated into two apexes and are almost the Voronoi polyhedron which contains more than 5 pentagonal planes. Strong correlation between the volume of the polyhedron and the first invariant of the stress is recognized and the atom which has the (0 0 12 0)-type polyhedron.

Report

(4 results)
  • 2010 Annual Research Report   Final Research Report ( PDF )
  • 2009 Annual Research Report
  • 2008 Annual Research Report
  • Research Products

    (8 results)

All 2011 2010 2009 Other

All Journal Article (1 results) Presentation (6 results) Remarks (1 results)

  • [Journal Article] 非晶質金属の分子動力学シミュレーション(相転移を中心として)2010

    • Author(s)
      野村栞里、中谷敬子
    • Journal Title

      日本機械学会関西支部機械の強度と形態研究懇話会第6回NCPフォーラム講演論文集

      Pages: 1-4

    • Related Report
      2009 Annual Research Report
  • [Presentation] 非晶質金属のき裂先端場近傍の変形メカニズムの解明2011

    • Author(s)
      野村栞里、中谷敬子
    • Organizer
      地域交流メッセ
    • Related Report
      2010 Final Research Report
  • [Presentation] アモルファス材料のボロノイ多面体解析による構造評価2011

    • Author(s)
      大原和斗、中谷敬子
    • Organizer
      地域交流メッセ
    • Related Report
      2010 Final Research Report
  • [Presentation] 非晶質金属の分子動力学シミュレーション(相転移を中心として)2010

    • Author(s)
      野村栞里、中谷敬子
    • Organizer
      日本機械学会関西支部機械の強度と形態研究懇話会第6回NCPフォーラム
    • Place of Presentation
      滋賀県大津市
    • Year and Date
      2010-03-29
    • Related Report
      2009 Annual Research Report
  • [Presentation] 非晶質金属の力学特性発現メカニズムの解明2010

    • Author(s)
      中谷敬子、野村栞里
    • Organizer
      日本機械学会関西支部強度と形態懇話会、第6回NCPフォーラム講演概要集
    • Related Report
      2010 Final Research Report
  • [Presentation] アモルファス金属の材料特性の分子動力学シミュレーション2009

    • Author(s)
      野村栞里、大原和斗、岸野友哉、中谷敬子
    • Organizer
      日本高専学会第15回年会・講演会
    • Place of Presentation
      愛知県豊橋市
    • Year and Date
      2009-08-28
    • Related Report
      2009 Annual Research Report
  • [Presentation] アモルファス金属の材料特性の分子動力学シミュレーション2009

    • Author(s)
      大原和斗、中谷敬子, 他
    • Organizer
      日本高専学会第15回年会・講演会
    • Related Report
      2010 Final Research Report
  • [Remarks] ホームページ等

    • Related Report
      2010 Final Research Report

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Published: 2008-04-01   Modified: 2016-04-21  

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