Multi-scale modeling of nucleation induced by thermal fluctuation
| Project/Area Number |
16K18226
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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 |
Physical properties of metals/Metal-base materials
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| Research Institution | Tohoku University |
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Principal Investigator |
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| Project Period (FY) |
2016-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2017: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2016: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
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| Keywords | Phase-Field法 / 核生成 / 熱的搖動 / 分子動力学法 / 計算材料科学 / 金属生産工学 / 計算物理 |
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| Outline of Final Research Achievements |
Size dependence of solid-liquid interfacial energy of Fe was investigated by using molecular dynamics calculation. As a result, it is found that the trend of the decrease in interfacial energy can be explained by Tolman equation. In addition, the fluctuation was examined by molecular dynamics calculation. When the undercooling is sufficiently large to make nucleation interval short enough to finish calculation in a practical time, the liquid phase cannot be frozen but becomes icosahedral. In introduction fluctuation into phase-field modeling, phenomenological modeling was adopted. The result shows that pairs of variants which is stable in terms of elastic strain energy was nucleated. Although the fluctuation need to be large to make nucleation happen in practical calculation time, the nucleation interval follows classical nucleation theory.
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Report
(3 results)
Research Products
(1 results)
