| Project/Area Number |
08405042
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| Research Category |
Grant-in-Aid for Scientific Research (A)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical properties of metals
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| Research Institution | KYOTO UNIVERSITY |
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Principal Investigator |
ADACHI Hirohiko Kyoto Univ.Grad.School of Engineering, Professor, 工学研究科, 教授 (60029105)
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| Co-Investigator(Kenkyū-buntansha) |
TANAKA Isao Kyoto Univ.Grad.School of Energy Scierce Asoc.Professor, エネルギー科学研究科, 助教授 (70183861)
KOIDE Yasuo Kyoto Univ.Grad.School of Engineering, Asoc.Professor, 工学研究科, 助教授 (70195650)
KAWAI Jun Kyoto Univ.Grad.School of Engineering, Asoc.Professor, 工学研究科, 助教授 (60191996)
MATSUBARA Eiichiro Kyoto Univ.Grad.School of Engineering, Asoc.Professor, 工学研究科, 助教授 (90173864)
SHIRAI Yasuharu Osaka Univ.Grad.School of Engineering, Professor, 工学研究科, 教授 (20154354)
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| Project Period (FY) |
1996 – 1997
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| Project Status |
Completed (Fiscal Year 1997)
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| Budget Amount *help |
¥37,500,000 (Direct Cost: ¥37,500,000)
Fiscal Year 1997: ¥11,500,000 (Direct Cost: ¥11,500,000)
Fiscal Year 1996: ¥26,000,000 (Direct Cost: ¥26,000,000)
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| Keywords | Crystalline defects / EELS / ultrafine particle / interface structure / positron annihilation / ESCA / Auger spectroscopy / 分子軌道法 / 電子論 / オージェ / FELS / 陽電子 |
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| Research Abstract |
Combination of first principles calculations and reliable spectroscopic experiments are strongly required for understanding of atomistic mechanisms for defect/interface processes in metallic materials. Although the importance has been pointed out over many years, intimate collaborative works between experimentalists and theorists have not been made so much. In the present study, detailed analysis of experimental spectra obtained by positron annihilation spectropscopy, electron energy loss spectroscopy, X-ray photoemission spectroscopy, Auger spectroscopy etc.are analyzed in detail by the use of a first principles molecular orbital method using discrete variational Xalpha (DV-Xalpha) code through very intimate collaborative works among the group. Research subjects are shown as follows :
1.Atomic and electronic structure of crystalline defects in metals
2.Atomic and electronic analysis of grain boundaries in metals by EELS
3.Interface structure and properties of Ni-ultrafine particles
4.Local structure and properties of metal/semiconductor interface
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