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1997 Fiscal Year Final Research Report Summary

Unified Study on Brittle-Ductile Transition Based on Atomistic Point of View

Research Project

Project/Area Number 08455061
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  Osaka University, Department of Mechanical Engineering, Professor, 工学部, 教授 (30029095)

Co-Investigator(Kenkyū-buntansha) OGATA Shigenobu  Osaka University, Department of Mechanical Engineering, Research Assistant, 工学部, 助手 (20273584)
NAKATANI Akihiro  Osaka University, Department of Mechanical Engineering, Associate Professor, 工学部, 助教授 (50252606)
Project Period (FY) 1996 – 1997
KeywordsMaterials Strength / Brittle-Ductile Transition / Molecular Dynamics / Atomic Force Microscope / Ceramics / Micro-Indentation / Interaction of Cracks / Grain Boundary Deformation Mechanism / 微小硬度
Research Abstract

Brittle-ductile transition (BDT) was studied on the basis of atomistic pioint of view, special attention being focused on mobility of localized deformation mechanism. Main results obtained are as follows :
(1) As fracture of the material is regarded as release or relaxation process of energy which is brought from the external source, BDT is to have strong dependence on the magnitude of the energy and extend of deformed area. Concretely ;
a) Experimental results of micro-indentation test for SiC-single crystal and SiN polycrystal show that BDT appearing in highly-brittle materials seems to be a relaxation process due to mutual interaction of micro-cracks.
b) Interaction analysis between a macro crack and micro ones by homogenization method shows the stress intensity factor around the macro crack is larger than the micro, which means coalescence of the micro-cracks brings about BDT in the above case.
c) Stress shielding effect due to dislocation structure which is formed in near crack-tip field is important characteristics for BDT in ductile matallic crystal, which has been concluded after a discrete dislocation analysis.
d) From a molecular dynamics analysis of crack propagation in an amorphous metallic material, there exists no hardening mechanism of localized deformation, which in turn brittle fracture occurs macroscopically in spite of ductile rearrangement of atomic structure in micro-scale.
(2) A first-principle analysis on strength properties on Al-grain boundary indicates Si impurity decreases the strength drastically. And from same analysis for AIN-Al grain boundary, distribution of electron density indicates that physical (not chemical) property dominates in the bonding of this interface and then, fracture occurs in Al side near the boundary.

  • Research Products

    (12 results)

All Other

All Publications (12 results)

  • [Publications] S.Ogata and H.Kitagawa: "Ab-initio Tensile Testing Simulation of Al, AlN and Al/AlN Composite" Advances in Materials Research. (掲載予定). (1998)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 中谷 彰宏・北川 浩・中谷 敬子: "分子動力学法による離散転位動力学のためのせん断応力と転位運動速度の関係式の導出" 材料. 46・6. 619-124 (1997)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 中谷 彰宏・北川 浩・中谷 敬子: "分子動力学法によるbcc結晶中のモードII型き裂先端からの転位の発生と運動" 材料. 46・6. 625-630 (1997)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 中谷 彰宏: "離散転位動力学による結晶体の力学特性評価" 生産と技術. 49・3. 49-52 (1997)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 中谷 彰宏・杉崎 誠・北川 浩: "き裂先端近傍場の欠陥構造の離散転位動力学シミュレーション" 第41回日本学術会議材料研究連合講演会講演論文集. 5-6 (1997)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 北川 浩・北村 隆行・渋谷 陽二・中谷 彰宏: "初心者のための分子動力学法" 養賢堂, 146 (1997)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] H.Kitagawa: "Challenge to Mesoscopic Dynamics of Fractre" Mesoscopic Dynamics in Fracture Process (ed.H.Kitagawa, Y.Kawzoe & T.Aihara) Springer-Verlag. (in press). (1998)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] A.Nakatani, H.Kitagawa and M.Sugizaki: "Discrete Dislocation Dynamics Stury on Distribution of Dislocation and Stress Field near Crack Tip" Mesoscopic Dynamics in Fracture Process (ed.H.Kitagawa, Y.Kawzoe & T.Aihara) Springer-Verlag. (in press). (1998)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] S.Ogata and H.Kitagawa: "Ab-initio Tensile Testing Simulation of Al, AlN and AL/AlN Composite" Mesoscopic Dynamics in Fracture Process (ed.H.Kitagawa, Y.Kawzoe & T.Aihara) Springer-Verlag. (in press). (1998)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] A.Nakatani, H.Kitagawa and K.Nakatani: "Molecular Dynamics Syudy of Relationship between Shear Stress and Velocity of Dislocation for Discrete Dislocation Dynamics." J.Soc.Materials Sci.Japan. 46-6. 619-624 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Nakatani, H.Kitagawa and A.Nakatani: "Molecular Dynamics Simulation on the Mechanical Strength of One-Component Amorphous Metal -Decreasing of Elastic Moduli And Strength Induced by Change of Internal Structure-" J.Soc.Materials Sci.Japan. 46-3. 244-249 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Saito, H.Kitagawa , A.Nakatani and S.Ogata: "Molecular Dynamics Study on Strength of Conincidence Grain Boundaries" J.Soc.Materials Sci.Japan. 46-3. 244-249 (1997)

    • Description
      「研究成果報告書概要(欧文)」より

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Published: 1999-03-16  

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