| Project/Area Number |
23540439
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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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 Institute of Technology |
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Principal Investigator |
HABASAKI Junko 東京工業大学, 大学院総合理工学研究科, 助教 (10133331)
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| Research Collaborator |
UEDA Akira 京都大学, 名誉教授
NGAI Kia L. PISA大学, 研究教授
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| Project Period (FY) |
2011-04-28 – 2015-03-31
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| Project Status |
Completed (Fiscal Year 2014)
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| Budget Amount *help |
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2013: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2011: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
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| Keywords | ソフトコアモデル / 分子動力学 / 相図 / 非平衡緩和過程 / ガラス転移 / ソフトコア / 比熱 / エントロピー / 逆べきポテンシャル |
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| Outline of Final Research Achievements |
One-component soft-core system had been considered to be unsuitable for the study of the glass transition by Molecular Dynamics (MD) simulations because it easily crystalized. However, using a sufficiently large system, metastable structures (on the glass branch of the phase diagram) are obtained, which are structurally and thermodynamically regarded as in the glassy state. Since the dynamical scaling law is strictly satisfied, the system can be a useful model for the glass transition, which is not affected by the mixing effect of heteroatoms. Furthermore, it is possible to represent the physical properties such as specific heat and entropy in analytical expressions. By mapping the results obtained by the MD simulations on the phase-diagram, it is utilized for better understanding of the glass transition.
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