| Project/Area Number |
25820009
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Materials/Mechanics of materials
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| Research Institution | Osaka University |
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Principal Investigator |
MATSUNAKA Daisuke 大阪大学, 工学(系)研究科(研究院), 助教 (60403151)
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| Project Period (FY) |
2013-04-01 – 2015-03-31
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| Project Status |
Completed (Fiscal Year 2014)
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| Budget Amount *help |
¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2014: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2013: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
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| Keywords | 第一原理計算 / ヘテロ界面 / 原子間ポテンシャル / 界面強度 / き裂進展 / 界面結合 / 金属/酸化物界面 |
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| Outline of Final Research Achievements |
First-principles calculations of Ag/MgO(100) and Cu/MgO(100) heterointerfaces were carried out. Empirical interatomic potential functions were constructed based on the obtained first-principles calculation results with respect to the interfacial cleavage and sliding for the coherent interface models of O-atop and Mg-atop. Using the interfacial interatomic potentials, molecular dynamics analyses of crack propagation at metal/oxide interface were performed. It was found that a crack propagates into the metal region near the interface because of the strong covalent interfacial interaction between metal and oxygen atoms and the dislocation emission from the crack tip is suppressed due to the interface, leading to low fracture toughness of the heterointerface than the metal matrix.
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