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Development of Simplified Simulation Method of Diffusion Based on Monte Carlo Analysis

Research Project

Project/Area Number 08555025
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section展開研究
Research Field Materials/Mechanics of materials
Research InstitutionKYOTO UNIVERSITY

Principal Investigator

KITAMURA Takayuki  Kyoto Univ., Eng., Associate Professor, 工学研究科, 助教授 (20169882)

Co-Investigator(Kenkyū-buntansha) TADA Naoya  Kyoto Univ., Eng., Research Associate, 工学研究科, 助手 (70243053)
OHTANI Ryuichi  Kyoto Univ., Eng., Professor, 工学研究科, 教授 (50025946)
Project Period (FY) 1996 – 1997
Project Status Completed (Fiscal Year 1997)
Budget Amount *help
¥5,100,000 (Direct Cost: ¥5,100,000)
Fiscal Year 1997: ¥1,800,000 (Direct Cost: ¥1,800,000)
Fiscal Year 1996: ¥3,300,000 (Direct Cost: ¥3,300,000)
KeywordsAtomic Simulation / Molecular Dynamics / Monte Carlo Method / Simplified Simulation / Surface Diffusion / Grain Boundary Groove / Defect / キャビティ / 簡易解析法 / シミュレーション時間 / 原子間ポテンシャル / 拡散 / 原子のジャンプ / 分子動力学
Research Abstract

The failure of microelement such as conductors in a LSI is caused mostly by the atomic scale defects. The defect mucleation often takes place by diffusion along boundaries. The molecular dynamics simulation, however, can not be applied to the process in a real component because it can simulate the behavior of atoms in a very short period. A Monte Carlo method to simulate the process of defect nucleation in a longer period is proposed focusing on the jumps of atoms along the surface. In this study, the nucleation process of grain boundary grooving in an aluminum conductor is analyzed in terms of atomic mechanics. The formation of grooving is successfully simulated by the method. Then, the motion of atoms near an intersection between grain boundary and surface near the melting temperature is simulated by a molecular dynamics and the formation of grooving can be recognized for low SIGMA boundaries. The validity of new method is examined by the molecular dynamics result.

Report

(3 results)
  • 1997 Annual Research Report   Final Research Report Summary
  • 1996 Annual Research Report
  • Research Products

    (8 results)

All Other

All Publications (8 results)

  • [Publications] Takayuki Kitaumra: "Molecular Dynamics Simulation on Grain Boundary Diffusion in Aluminum under Hydrostatic Stress" JSME International Journal,Ser.A. 41. 10-15 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] 北村 隆行: "体拡散クリープ下の粒界キャビティ成長の数値解析" 日本機械学会論文集,A編. 64. 373-378 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Takayuki Kitamura: ""Molecular Dynamics Simulation on Grain Boundary Diffusion in Aluminum under Hydrostatic Stress"" JSME International Journal, Ser.A. Vol.41, No.1. 10-15 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Takayuki Kitamura: ""Numerical Analysis on Growth of Grain Boundary Cavity in Lattice Diffusion Greep"" Transaction of JSME,Ser.A. Vol.64, No.618. 373-378 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Takayuki Kitamura: "Molecular Dynamics Simulation on Grain Boundary Diffusion in Aluminum under Hydrostatic Stress" JSME International Journal,Ser.A. 41・1. 10-15 (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] 北村隆行: "体拡散クリープ下の粒界キャビティ成長の数値解析" 日本機械学会論文集,A編. 64・618. 373-378 (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] Takayuki Kitamura: "A tomic Mechanics Simulation on Nucleation Process of Grain Boundary Groove in Aluminum Conductor of Microelectronic Package" JSME International Journal,Ser.A. 39・3. 291-296 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] 北村隆行: "粒界三重線近傍における拡散の分子動力学シミュレーション" 日本機械学会第10回計算力学講演会. (発表予定).

    • Related Report
      1996 Annual Research Report

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Published: 1996-04-01   Modified: 2016-04-21  

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