2022 Fiscal Year Final Research Report
Establishing analysis methods for characterizing heat transport via numerical calculation
| Project/Area Number |
20K14659
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| Research Category |
Grant-in-Aid for Early-Career Scientists
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| Allocation Type | Multi-year Fund |
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| Review Section |
Basic Section 19020:Thermal engineering-related
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| Research Institution | Tohoku University |
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Principal Investigator |
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| Project Period (FY) |
2020-04-01 – 2023-03-31
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| Keywords | 分子動力学 / 固液界面 / 熱流速 / Geen-Kubo / 付着仕事 |
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| Outline of Final Research Achievements |
Numerical calculations at the molecular scale have been used for various materials in numerous previous studies. In this research, we focused on interfaces and their thermal transport properties and put effort to developing methods that allow for easier and more accurate analysis. Specifically, we developed new methods for the solid-liquid work of adhesion that is related to wetting thermal transport properties of the interface and examined their validity in complex systems. In addition we proposed and implemented correct methods for calculating the thermal flux of complex molecules, and explored methods for evaluating the thermal transport efficiency of complex interface shapes.
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| Free Research Field |
固液界面
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| Academic Significance and Societal Importance of the Research Achievements |
近年の計算機やソフトの発展によって，数値計算による材料の研究が盛んになってきたが，多くの研究グループが既存のツールの使用にとどまっている．今回の研究では，すでに広く使われる数値計算ツールでできる手軽な解析手法の開発やツールそのものの改善を行った．これにより，数値計算による界面や熱の研究を行っている全員に恩恵をもたらすことができ，それが業界全体の水準上げにつながると思われる．
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