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Atomistic Study of Fracture of Nano-Crystalline Materials

Research Project

Project/Area Number 12450049
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Materials/Mechanics of materials
Research InstitutionOsaka University

Principal Investigator

KITAGAWA Hiroshi  Graduate School of Engineering, Osaka University, Professor, 大学院・工学研究科, 教授 (30029095)

Co-Investigator(Kenkyū-buntansha) HIGA Yoshikazu  Graduate School of Engineering, Osaka University, Research Assistant, 大学院・工学研究科, 助手 (20335368)
OGATA Shigenobu  Graduate School of Engineering, Osaka University, Assistant Professor, 大学院・工学研究科, 講師 (20273584)
NAKATANI Akihiro  Graduate School of Engineering, Osaka University, Associate Professor, 大学院・工学研究科, 助教授 (50252606)
Project Period (FY) 2000 – 2001
Project Status Completed (Fiscal Year 2001)
Budget Amount *help
¥14,100,000 (Direct Cost: ¥14,100,000)
Fiscal Year 2001: ¥6,500,000 (Direct Cost: ¥6,500,000)
Fiscal Year 2000: ¥7,600,000 (Direct Cost: ¥7,600,000)
KeywordsNano-polycrystal / Molecular dynamics / Inverse Hall-Petch relation / Stacking fault energy / Extended dislocation / Accommodation slide mechanism / Embedded atom method / equivalent medium theory / ナノ多結晶体 / スイッチング変形機構 / 繰り返し硬化
Research Abstract

In a crystalline materials with very fine (nanometer-size) grain, percentage of the atoms which form the grain boundary is fairly large. Because of randomness and quasi-stableness of the grain boundary structure, certain unique properties appear in it. Under the purpose to make clear the dynamical structural factors controlling the strength properties of the nano-crystalline materials, large scale computer simulation was performed and the following results have been obtained.
(1) Inverse Hall-Petch relation which states softening of the materials with decease of the grain size, is found. This relation is expressed as the relationship between the strength and the fraction of the crystal defect, which suggests the strength mainly determined by the dynamical rearrangement in the boundary atomic structure.
(2) Not only the crystal defect but also the source of dislocation such as the Frank-Read source cannot exist stationarily in the grain. But because of width of the extended dislocation becomes comparable to size of the grain, the stacking fault able to be present through the grain and it brings about the anisotropic properties, which causes the strain and cyclic hardening.
(3) In nano-wire or thin plate with nano-thickness, the intra-boundary rapture is bought about due to grain boundary slide for materials with high stacking fault energy. But the inter-grain slid becomes dominate for the case that the stacking fault energy is low, which raise the ductility due to the suppression of the secondary inter-grain slide.
(4) In an amorphous materials, an intensively localized deformation is taken place such as a localized necking, deformation induced recrystalization appears and nano-size crystal grain nucleates and grows, with the assist of the local temperature rise.

Report

(3 results)
  • 2001 Annual Research Report   Final Research Report Summary
  • 2000 Annual Research Report
  • Research Products

    (20 results)

All Other

All Publications (20 results)

  • [Publications] 中谷彰宏, 北川 浩, 下川智嗣: "分子動力学法によるナノタ結晶体の力学特性と引張荷重下における非弾性変形機構の検討"日本機械学会論文集,A編. 66・643. 435-441 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] 松本龍介, 北川浩, 中谷敬子, 中谷彰宏: "アモルファス金属中を進展するき裂の分子動力学シミュレーション"日本機械学会論文集,A編. 67-653. 23-29 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] 下川智嗣, 中谷彰宏, 北川 浩: "ナノ多結晶体中の粒界の構造と力学特性に関する分子動力学法による研究"日本機械学会論文集,A編. (掲載予定). (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Shimokawa, T., Nakatani, A., Kitagawa, H.: "Molecular Dynamics Simulation on Mechanical Properties and Internal Structures of Nano-Crystalline Materials under Different Loading Processes"Proceeding of Material Science for the 21st Century. Vol.B. 281-284 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] 下川智嗣, 中谷彰宏, 北川 浩: "単軸引張りを受ける棒状ナノ多結晶体の局所くびれ発生機構の検討 (EMT, EAMを用いた分子動力学シミュレーション)"日本機械学会講演論文集(第14回計算力学講演会). No.01-10. 411-412 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Matsumoto, R., Kitagawa, H., Nakatani, K., Nakatani, A.: "Large Scale MD study on Deformation Mechanism around Crack Tip in Amorphous Metal""Proceeding of Material Science for the 21st Century. Vol.B. 277-280 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Nakatani,A., Kitagawa,H. & Shimokawa,T.: "Molecular Dynamics Study of Mechanical Properties and Inelastic Deformation Mechanism of Nano-crystalline Materials under Tensile Loading"Trans. JSME, Ser.A. 66-643. 434-441 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Matsumoto,R., Kitagawa,H., Nakatani,K. & Nakatani,A.: "Molecular Dynamics Simulation on Crack Propagation in Amorphous Metal"Trans. JSME, Ser.A. 67-653. 23-29 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Nakatani,A., Kitagawa,H. & Shimokawa,T.: "Mechanical Properties Depending on Grain Sizes and Deformation Mechanism Due to the Difference of Stacking Fault Energy of Nanocrystalline Materials : A Molecular Dynamics Study"Trans. JSME, Ser.A. (to be appeared being issued in 2002).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Shimokawa,T., Nakatani,A. & Kitagawa,H.: "Molecular Dynamics Simulation on Mechanical Properties and Internal Structures of Nano-Crystalline Materials Under Different Loading Processes"Proceeding of Material Science for the 21^<st> Century. Vol.B. 281-284 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Matsumoto,R., Kitagawa,H., Nakatani,K. & Nakatani,A: "Large Scale MD Study on Deformation Mechanism Around Crack Tip in Amorphous Metal"Proceeding of Material Science for the 21^<st> Century. Vol.B. 281-284 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] 中谷彰宏, 北川浩, 下川智嗣: "分子動力学法によるナノ多結晶体の力学特性と引張荷重下における非弾性変形機構の検討"日本機械学会論文集, A編. 66・643. 435-441 (2000)

    • Related Report
      2001 Annual Research Report
  • [Publications] 松本龍介, 北川浩, 中谷敬子, 中谷彰宏: "アモルファス金属中を進展するき裂の分子動力学シミュレーション"日本機械学会論文集, A編. 67-653. 23-29 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] 下川智嗣, 中谷彰宏, 北川浩: "ナノ多結晶体中の粒界の構造と力学特性に関する分子動力学法による研究"日本機械学会論文集, A編. (掲載予定). (2002)

    • Related Report
      2001 Annual Research Report
  • [Publications] Shimokawa, T., Nakatani, A., Kitagawa, H.: "Molecular Dynamics Simulation on Mechanical Properties and Internai Structures of Nano-Crystalline Materials under Different Loading Processes"Proceeding of Material Science for the 2lst Century. Vol.B. 281-284 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] 下川智嗣, 中谷彰宏, 北川浩: "単軸引張りを受ける棒状ナノ多結晶体の局所くびれ発生機構の検討(EMT, EAMを用いた分子動力学シミュレーション)"日本機械学会講演論文集(第14回計算力学講演会). No.01-10. 411-412 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] Matsumoto, R., Kitagawa, H., Nakatani, K., Nakatani, A.: "Large Scale MD study on Deformation Mechanism around Crack Tip in Amorphous Metal","Proceeding of Material Science for the 2lst Century. Vol.B. 277-280 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] 下川智嗣,中谷彰宏,北川浩: "ナノ多結晶の変形に対する結晶粒界の役割機構"日本機械学会第2000年度年次大会講演論文集(II). No.00-1. 27-28 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] 下川智嗣,中谷彰宏,北川浩: "積層欠陥エネルギーの違いに起因するナノ多結晶の変形機構(埋め込み原子法と有効媒質理論の比較)"日本機械学会第13回計算力学講演会論文集. No.00-17. 637-638 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] 松本龍介,北川浩,中谷敬子,中谷彰宏: "アモルファス金属中を進展するき裂の分子動力学シミュレーション"日本機械学会論文集(A編). 67・653. 23-29 (2001)

    • Related Report
      2000 Annual Research Report

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Published: 2000-04-01   Modified: 2016-04-21  

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