| Project/Area Number |
20K05069
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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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| Review Section |
Basic Section 26010:Metallic material properties-related
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| Research Institution | National Institute for Materials Science |
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Principal Investigator |
Wakeda Masato 国立研究開発法人物質・材料研究機構, 構造材料研究拠点, 主任研究員 (00550203)
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| Project Period (FY) |
2020-04-01 – 2023-03-31
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| Project Status |
Completed (Fiscal Year 2022)
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| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2022: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2021: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2020: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
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| Keywords | Ti / 相変態 / 分子動力学法 / 構造相変態 / 原子間相互作用 / 原子論解析 / 金属材料 |
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| Outline of Research at the Start |
Ti材料の力学特性は材料組織の影響を受ける．本研究課題ではTi材料の組織形成の理解を目的とし，原子シミュレーションを用いて構造相変態の初期機構の解析を実施する．具体的には，まず構造相変態の初期機構における原子スケールの構造変化を調査する．また有限温度・長時間のダイナミクス解析から相変態の動的挙動を調べる．さらには材料欠陥（添加元素など）が構造相変態におよぼす影響について原子論に基づく知見の獲得を目指す．
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| Outline of Final Research Achievements |
In this study, factors affecting the initial process of solid-solid phase transformation were investigated by using molecular dynamics techniques, which can directly treat individual atomic motion. I obtained knowledge on effects of external factors such as temperature and pressure as well as internal factors related to microstructures. I also worked on an atomistic simulation framework, such as a method for the accurate evaluation of forces and energies, which is useful for the quantitative analysis of the initial mechanism of solid-solid phase transformations. A method for evaluating the energetic stability of each phase under finite temperature and pressure was also worked on. Based on these studies, I obtained atomistic-scale knowledge and computational methods, which are useful for the elucidation of the initial mechanism of solid-solid phase transformation.
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| Academic Significance and Societal Importance of the Research Achievements |
本課題では構造相変態の初期過程を評価する枠組みの開発にも取り組んだ．構造相変態が重要となる現象として，金属材料だけでも相材料組織形成や材料変形などがあり，原子論解析による調査が十分におこなわれていない材料種や現象についても本解析枠組みの応用先になると考える．このことから本課題は，Ti材料にとどまらず広範な材料の組織形成と変形機構に対してアプローチ手法を提案する側面をもち，学術的意義や社会的意義を有する．
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