2020 Fiscal Year Research-status Report
A molecular approach to optimisation of liquid coolants
| Project/Area Number |
18K03983
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| Research Institution | Kyushu University |
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Principal Investigator |
Cannon James 九州大学, 工学研究院, 准教授 (80648866)
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| Project Period (FY) |
2018-04-01 – 2022-03-31
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| Keywords | Molecular simulation |
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| Outline of Annual Research Achievements |
In line with the plans for this year, much of the focus was on calculation of thermal conductivity properties. Interesting results were obtained in relation to the breakdown of thermal conductivity pathways in alcohols and so much subsequent focus was on the refinement of the analysis in preparation for publication in a journal.
This involved going back over the analysis data to better understand correlations between variables so as to be able to elucidate the reasoning for the results obtained. In particular, there was significant focus on ensuring that the breakdown of thermal conductivity into its atomic constituent parts was done in a reproducible and consistent manner. By doing this, the framework for breaking down the thermal conductivity was fully developed so that the employed method to understand the breakdown of the thermal conductivity can be easily applied by other researchers considering the breakdown of thermal conductivity for other types of atoms and molecules.
Time was also spent confirming the accuracy of the simulations, including varying properties important for molecular simulation. The results were tested under different simulation conditions to ensure that the results are consistent even when different model parameters are used.
Following exhaustive checking and confirmation such as this, the research was accepted for publication in Scientific Reports.
Furthermore, the work was accepted and published for a conference, although the conference itself was cancelled due to a pandemic.
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| Current Status of Research Progress |
Current Status of Research Progress
2: Research has progressed on the whole more than it was originally planned.
Reason
The research is judged to be progressing smoothly. Although the pandemic meant that there was a reduction in the ability to travel for conferences and other events that support the research, the simulations were able to be conducted and the validation of the results was conducted in a reasonable manner. There was some challenge in balancing the high computational cost and time required with the ability to ensure that the results were reproducible under all reasonable conditions, but I think that this was done successfully and is supported by the fact that this was then accepted for publication.
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| Strategy for Future Research Activity |
The physical reasons for the variation of an important thermophysical property such as thermal conductivity has largely been completed and so the focus next turns to development of the underlying statistical process that could help speed up what is otherwise a very computationally-demanding calculation. In particular, the research will focus on understanding statistical methodologies and their application to the current research.
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| Causes of Carryover |
The main reason for the remaining funds is the inability to travel for conferences and other events that support the research due to a pandemic, It is expected that the inability to travel will persist into the coming year, and the funds will therefore be used to support computational costs of the following research.
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