| Project/Area Number |
25630013
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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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 |
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| Co-Investigator(Kenkyū-buntansha) |
KIMIZUKA HAJIME 大阪大学, 基礎工学研究科, 准教授 (60467511)
WAKEDA MASATO 大阪大学, 基礎工学研究科, 助教 (00550203)
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| Project Period (FY) |
2013-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2015: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2014: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2013: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Keywords | 腐食 / 電子論 / 原子論 / 応力 / モデリング / 加速分子動力学法 / 高速モンテカルロ法 / 酸化 / 析出 / フェーズフィールド法 / ナノワイヤー / 粒界 / 破壊 / 銅 / マグネシウム / フェーズフィールド / 第一原理分子動力学法 / 時間加速手法 / 化学反応場 / 拡散場 |
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| Outline of Final Research Achievements |
We developed modeling methods for studying atomistic details of the corrosion behavior of materials under finite stress condition. We achieved the following three objectives; (1) Demonstrate the impurity diffusion processes at surface and planner defects in materials using atomistic modeling with acceleration techniques, (2) Proposing the hydrogen induced cracking mechanism in iron using molecular dynamics simulation, (3) Clarifying the change of mechanical properties of nano-sized wire due to surface and grain boundary oxidation using molecular dynamics simulations.
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