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Molecular Dynamics Simulation on Forming Process of Nano Contact

Research Project

Project/Area Number 12450048
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Materials/Mechanics of materials
Research InstitutionKYOTO UNIVERSITY

Principal Investigator

KITAMURA Takayuki  Kyoto Univ., Grad. School of Eng., Professor, 工学研究科, 教授 (20169882)

Co-Investigator(Kenkyū-buntansha) UMENO Yoshitaka  Kyoto Univ., Grad. School of Eng., Research Associate, 工学研究科, 助手 (40314231)
Project Period (FY) 2000 – 2001
Project Status Completed (Fiscal Year 2001)
Budget Amount *help
¥14,000,000 (Direct Cost: ¥14,000,000)
Fiscal Year 2001: ¥5,200,000 (Direct Cost: ¥5,200,000)
Fiscal Year 2000: ¥8,800,000 (Direct Cost: ¥8,800,000)
KeywordsNano Contact / Molecular Dynamics / Microscopic Material / Tensile Deformation / Slip / Atomic Chain / Fine Wire / Ductility
Research Abstract

As the effort is made on the downsizing of electronic devices, the element size is approaching the nano-meter scale. Especially, the forming process of contact between the elements is one of key technologies in the future electronic industry.
The purpose of this project is to elucidate the mechanism and mechanics of the mechanically forming process as well as the deformation property by atomic simulations.
The following simulation of aluminum contact is carried out. (1) Ab initio simulation of atomic chain where atoms aline on a direction, (2) Ab initio and EMT (Effective Medium Theory) simulation on single crystal in order to evaluate the validity of EMT potential, and (3) tensile simulation of thin wire by means of the EMT simulation. The simulation (1) reveals that the ideal strength of atomic chain is about 1nN, and the chain shows higher strength and lower elongation than the bulk. From the simulation (2), the EMT simulation reproduces very well the tensile property of disordered atomic structure (e.g. grain boundary) as well as single crystal in tension. The simulation (3) reveals the thinning process of the nano-wire. The wire deforms easily in tension by dislocations nucleation from the surface and quick relaxation. At late stage of tension, the rotation of atoms governs the deformation process. The effect of initial crystal orientation on the thinning process is also discussed.

Report

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

    (13 results)

All Other

All Publications (13 results)

  • [Publications] 北村隆行: "原子鎖の強度に関する第一原理解析"日本機械学会論文集、A編. 67-654. 203-208 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] 北村隆行: "第一原理解析に基づくアルミニウムに対する有効媒質理論ポテンシャルの有効性"材料. 51-3. 249-254 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] 梅野宜崇: "分子動力学法によるA1ナノコンタクトの引張変形機構の解析"日本機械学会講演論文集. 00-4. 23-24 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] 梅野宜崇: "アルミニウムナノコンタクトの引張変形機構の分子動力学解析"日本機械学会論文集. 00-1-II. 35-36 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Takayuki Kitamura: "Ab Initio Analysis on Strength of Atomic Chain of Aluminum"Transaction of JSME Ser.A. Vol.67,No. 654. 203-208 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] "Evaluation for Validity of Effective Medium Theory in Aluminum Based on Ab Initio Analysis"Journal of the Society of Materials Science, Japan. Vol.51, No. 3. 249-254 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Yoshitaka Umeno: "Analysis on Mechanism of Tensile Deformation of Al Nano Contact by Molecular Dynamics Simulation"Proceedings of JSME. Vol.00, No.4. 23-24 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Yoshitaka Umeno: "Molecular Dynamics Simulation on Mechanism of Tensile Deformation of Al Nano Contact"Proceedings of JSME. Vol.00, No. 1-II. 35-36 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] 北村隆行: "原子鎖の強度に関する第一原理解析"日本機械学会論文集,A遍. 64-654. 203-208 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] 梅野宜崇: "分子動力学法によるAlナノコンタクトの引張変形機構の解析"日本機械学会講演論文集. 00-4. 23-24 (2000)

    • Related Report
      2001 Annual Research Report
  • [Publications] 梅野宜崇: "アルミニウムナノコンタクトの引張変形機構の分子動力学解析"日本機械学会講演論文集. 00-1-II. 35-36 (2000)

    • Related Report
      2001 Annual Research Report
  • [Publications] 北村隆行: "原子鎖の強度に関する第一原理解析"日本機械学会論文集 A編. 67-654. 203-208 (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] 梅野宜崇: "分子動力学法によるAlナノコンタクトの引張変形機構の解析"日本機械学会講演論文集. 00-4. 23-24 (2000)

    • Related Report
      2000 Annual Research Report

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

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