2012 Fiscal Year Final Research Report
Theoretical study of glass transition on the basis of the Free energy landscape
| Project/Area Number |
22540400
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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 |
Mathematical physics/Fundamental condensed matter physics
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| Research Institution | Tokyo Denki University |
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Principal Investigator |
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| Project Period (FY) |
2010 – 2012
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| Keywords | 非平衡統計力学 / 密度汎関数理論 / 自由エンルギーランドスケープ / ガラス転移 / 温度変調応答 / 比熱・エントロピー / 協調緩和領域 / 初到達時間 |
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| Research Abstract |
I studied the vitrification process on the bas is of the free energy landscape (FEL) framework. First, I showed that the configurationalentropy consists of two terms, one from the standard configurational entropy and the other from the dynamics among the basins of the FEL. The relaxation time of the hard sphere system is investigated using the FEL picture and it is shown that the Vogel-Fulcher relation holds and the divergence of the relaxation time could be attributed to the increase of the cooperatively rearranging region. Using the MD simulation, I also studied the glass forming process of the 2D Lennard-Jones-Gauss(LJG) super cooled liquid and obtained for the first time the FEL for the process. I also determined the three characteristic temperatures of the 3D LJG liquid and showed that these temperatures satisfy the Odagaki-rule. The dielectric relaxation of high polymers was analyzed on the basis of the FEL picture and it was shown that three characteristic temperatures could be determined from the dielectric relaxation alone.
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