Theoretical study of crystallization of supercooled liquids and temeprature-modulation non-linear response
Project/Area Number |
25400429
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Research Category |
Grant-in-Aid for Scientific Research (C)
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Allocation Type | Multi-year Fund |
Section | 一般 |
Research Field |
Biological physics/Chemical physics/Soft matter physics
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Research Institution | Tokyo Denki University |
Principal Investigator |
|
Project Period (FY) |
2013-04-01 – 2016-03-31
|
Project Status |
Completed (Fiscal Year 2015)
|
Budget Amount *help |
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2015: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2014: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2013: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
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Keywords | 非平衡系 / 自由エネルギーランドスケープ / 過冷却液体 / ガラス転移 / 温度変調応答 / 結晶化 / 初到達時間 / 臨界結晶核 / TTT図 / 自由エンルギーランドスケープ / レナード・ジョーンズ・ガウス系 / 臨界核 / 誘電緩和 / 結晶化時間 / 密度汎関数理論 |
Outline of Final Research Achievements |
The Free Energy Landscape (FEL) theory applicable to description of dynamic and thermodynamic properties of non-equilibrium systems was scrutinized in its validity and robustness. The temperature-modulated non-linear dielectric response is analyzed on the basis of the FEL and it is shown that (1) the response to a temperature modulation satisfies the super-position rule and (2) the response of the FEL to a temperature modulation manifests itself in a non-linear response. The crystallization of super-cooled liquids was related to the first passage time in the FEL and the nose-shaped TTT diagram was shown to be the consequence of the thermodynamic effect at higher temperatures and the dynamic effect at lower temperatures. Molecular dynamics simulation was exploited for the Lennard-Jones-Gauss system in two dimensions to show that (1) the critical nucleus size diverges at the melting temperature and (2) the solid-like region increases suddenly at the glass transition temperature .
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Report
(4 results)
Research Products
(30 results)