| Project/Area Number |
21740317
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Biophysics/Chemical physics
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| Research Institution | Institute for Molecular Science |
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Principal Investigator |
KIM Kang Institute for Molecular Science, 理論・計算分子科学研究領域, 助教 (20442527)
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| Project Period (FY) |
2009 – 2010
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| Project Status |
Completed (Fiscal Year 2010)
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| Budget Amount *help |
¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Fiscal Year 2010: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2009: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
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| Keywords | ガラス転移 / 動的不均一性 / 多時間相関 / 分子シミュレーション / 過冷却液体 / 分子シミュレーシ |
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| Research Abstract |
A multi-time extension of a density correlation function is introduced to reveal temporal information about dynamical heterogeneity in glass-forming liquids. A multi-time correlation function utilized in this study is analogous to the higher-order response function analyzed in multidimensional nonlinear spectroscopy. We confirm that the two-dimensional representations are sensitive to the dynamical heterogeneity and that these reveal the couplings of correlated motions, which exist over a wide range of time scales. From this analysis, we evaluated the lifetime of the dynamical heterogeneity and its temperature dependence systematically. Furthermore, we examine the physical role of the lifetime of dynamical heterogeneity in the violation of the Stokes-Einstein (SE) relation between viscosity and self-diffusion constant. Large violations of the SE relation are characterized by time scales longer than the lifetime of the dynamical heterogeneity in highly supercooled liquids.
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