2001 Fiscal Year Final Research Report Summary
The Development of the Molecular Dynamics Method in consideration with the current of the electron with Heat transfer and Electric Current, and a Method in order to present the Organization of Structure.
| Project/Area Number |
11650084
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Materials/Mechanics of materials
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| Research Institution | Shizuoka University |
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Principal Investigator |
TSUJI Tomoaki Shizuoka University, Faculty of Engineering, Associate Professor, 工学部, 助教授 (80188531)
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| Project Period (FY) |
1999 – 2001
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| Keywords | Molecular Dynamics / Computational Mechanics / Generalized Heat Transfer Theory / Electron / Void Growth / Missorientation Angle / Solid |
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| Research Abstract |
1) Development of the Molecular Dynamics Method in consideration with the current of the electron.
・Development the MD program. An electron is considered as an elastic particle. The interaction between an atom and an electron is considered as the elastic collision.
・Improvement of the above program and the investigation of the present method.
・Improvement of the computation time by optimizing the program.
2) The method to present the organization of structure by using all atoms.
・Development of the presentation method by using the Missorientation Angle.
・Some applications of the above program.
・Evaluation of the method.
For the method 1), we proceed further investigations for the heat transfer problems. Molecular Dynamics simulations are carried out by using Mors potential for copper. We proceed two dimensional MD simulations by a transient heat transfer problem of a plate. The results are compared to Fourie's thermal diffusion law and the generalized heat conduction theory. The estimated relaxation times from MD simulation are different to the previously estimated value. Nevertheless, the manner of heat transfer by the present method is similar to the one by the generalized heat conduction theory.
For the method 2), the void initiation from multiple seeds is studied. When there is only one seed, one void grows simply from the seed. If there are multiple seeds, we observe the void growth and the void vanishing by the influence from the other voids.
Furthermore, this study is completed as the last year. The developed programs will be publishing by www.
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