Clarification of the mechanisms of surface melting and surface freezing in n-alkane thin films by large-scale molecular simulation
| Project/Area Number |
22540419
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Biophysics/Chemical physics
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| Research Institution | Kyoto Institute of Technology |
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Principal Investigator |
FUJIWARA Susumu 京都工芸繊維大学, 工芸科学研究, 准教授 (30280598)
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| Project Period (FY) |
2010 – 2012
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| Project Status |
Completed (Fiscal Year 2012)
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| Budget Amount *help |
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2012: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2011: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2010: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
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| Keywords | 高分子構造・物性 / 表面・界面物性 / 計算物理 / 可視化 |
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| Research Abstract |
It is well known that n-alkanes exhibit surface freezing, where a solid monolayer forms at the surface of an isotropic liquid above its bulk melting temperature. This is a distinct contrast to a surface-melting phenomenon in the low-molecular substance. In this study, we investigated the melting processes of n-alkane thin films by molecular dynamics simulations. In the case of n-nonane, it is found that melting occurs from the surface, which indicates that n-nonane exhibits surface melting. In the case of n-nonadecane, on the other hand, we find a temperature range where the middle layer is in the molten states and both surface layers remain in the crystalline state (surface frozen state).
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Report
(4 results)
Research Products
(97 results)
