2019 Fiscal Year Final Research Report
Nano-scale analysis and micro-scale formulation on crystal grain dynamics
| Project/Area Number |
17K06042
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Materials/Mechanics of materials
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| Research Institution | Yamagata University |
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Principal Investigator |
Uehara Takuya 山形大学, 大学院理工学研究科, 教授 (50311741)
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| Project Period (FY) |
2017-04-01 – 2020-03-31
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| Keywords | 分子動力学 / 結晶粒界 / 塑性変形 |
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| Outline of Final Research Achievements |
The construction of a multi-scale analysis on the dynamic behavior of grain boundaries, which are expected to fill the gap between nano- and micro-scales, are targeted. On the nano-scale, a polycrystalline model consisting of four grains were constructed, and tensile or compressive simulations were carried out. The motion of atoms at grain boundaries upon yielding were observed in detail. As a result, an initiation of plastic deformation and the expansion occurred, and it revealed that the yielding and plastic deformation behaviors depend on the orientation and geometric characteristics of the grain boundaries. Also, a combined model of particle and phase-field models was proposed, leading to the complete construction of a multi-scale grain-boundary model.
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| Free Research Field |
材料力学，計算力学，計算材料科学
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| Academic Significance and Societal Importance of the Research Achievements |
ナノスケールとマイクロスケールをつなぐマルチスケールモデルについては，依然として確立されたモデルは見られないが，本研究では，簡単な分子動力学モデルを作成して解析することによって，様々な降伏および塑性変形機構が観察できることを示したことから，今後は同様な解析をより多く進めることによって，マイクロスケールにつなげる知見を得ることが期待できる．また，粒子モデルとフェーズフィールドモデルを融合した計算モデルを提案した．これに実際の粒界とマクロ力学特性をリンクさせれば，マルチスケールな解析が可能となると期待できる．新材料の開発にはこのようなモデルが不可欠であり，社会的な意義も大きいといえる．
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