2010 Fiscal Year Final Research Report
Multi-Scale Modeling of Deformation of Next Generation High Strength Steel
| Project/Area Number |
20360055
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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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 | Osaka University |
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Principal Investigator |
OGATA Shigenobu Osaka University, 基礎工学研究科, 教授 (20273584)
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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)
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| Project Period (FY) |
2008 – 2010
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| Keywords | マルチスケールモデリング / 変形 / 高強度鋼 / フェーズフィールド法 / 不純物拡散 / 分子動力学法 / 第一原理計算法 |
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| Research Abstract |
We developed a first principles multiscale modeling framework for designing next generation high strength steels based on first principles density functional theory method, accelerated and path integral molecular dynamics methods, and macroscopic and microscopic phase field modeling methods. By using the framework, we analyzed structure formation of steels, diffusion behavior of impurities in iron, evolution of internal structure and impurity diffusion in deforming iron, and ductility, brittleness, toughness of iron and then we eventually obtained fundamental knowledge necessary for designing next generation steels.
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