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2003 Fiscal Year Final Research Report Summary

Development of An Extended Molecular Dynamics Capable of Simulating EmergentProcess and Its Application to Brittle/Ductile Transition Phenomena

Research Project

Project/Area Number 14550102
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field 機械工作・生産工学
Research InstitutionNagoya Institute of Technology

Principal Investigator

INAMURA Toyoshiro  Nagoya Institute of Technology, Graduate School of Engineering, Professor, 工学研究科, 教授 (60107539)

Co-Investigator(Kenkyū-buntansha) TAKEZAWA Nobuhiro  Nagoya Institute of Technology, Graduate School of Engineering, Research Associate, 工学研究科, 助手 (50236452)
Project Period (FY) 2002 – 2003
KeywordsMolecular dynamics / Renormalizations / Atomic cluster / Interatomic potential / Nanotechnology / Computational physics / Computational engineering / Material science
Research Abstract

1. The concept of Renormalization Group Molecular Dynamics (RGMD) has been proposed. The RGMD consists of Renormalized Molecular Dynamics (RMD) for simulating macroscopic phenomena and Inverse RMD (IRMD) for simulating microscopic phenomena that occur in the RMD. The RMD and IRMD interact each other such that emergent processes can be simulated.
2. New inter-particle potentials to be used in the RMD have been constructed based on energy conservation principle in renormalization process. The derived potentials can reproduce size effect of material strength as well as the decrease of strength at high temperature.
A method to compute transformations from atomic arrangement in clusters to cluster arrangement around the cluster has been proposed to evaluate the inter-particle potentials described in (3) numerically. The results of numerical examples for carious cases show that the proposed method can construct transformations with satisfactory accuracy.
4. The necessity of introducing viscosity in computing particle motion in the RMD has been clarified based on the physical phenomena through which viscosity appears. Then an extended MD algorithm for computing particle motion with viscosity has been developed. The result of simulation obtained using this algorithm with regard to tensile test of a copper specimen on micrometer size shows brittle fracture under pulling speed at 100m/s. This result is consistent with experimental ones obtained by impact tensile test.

  • Research Products

    (4 results)

All Other

All Publications (4 results)

  • [Publications] T.Inamura, N.Takezawa, S.Shimada: "Importance of Micro/Macro Interaction in the Mechanism of Brittle Mode Cutting"Annals of the CIRP. 51.1. 487-490 (2002)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.J.Liu, T.Inamura, N.Takezawa, S.Shimada, Y.F.Guo: "Effects of Air and Surface Oxidation in Ultra-micro Cutting of Mono-crystal Silicon"Proceedings of the International Conference on Leading Edge Manufacturing in 21st Century. 45-48 (2003)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] T.Inamura, N.Takezawa, S.Shimada: ""importance of Micro/Macro Interaction in the Mechanism of Brittle Mode Cutting""Annals of the CIRP. 51-1. 487-490 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Y.J.Liu, T.Inamura, N.Takezawa, S.Shimada, Y.F.Guo: ""Effects of Air and Surface Oxidation in Ultra-micro Cutting of Mono-crystal Silicon""Proceedings of the International Conference on Leading Edge Manufacturing in 21st Century. 45-48 (2003)

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

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Published: 2005-04-19  

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