| Project/Area Number |
17K14371
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Biological physics/Chemical physics/Soft matter physics
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| Research Institution | Oita University |
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Principal Investigator |
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| Project Period (FY) |
2017-04-01 – 2019-03-31
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| Project Status |
Completed (Fiscal Year 2018)
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| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2018: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2017: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
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| Keywords | 液体 / ガラス / 粘度 / 非弾性X線散乱 / 分子動力学シミュレーション / ガラス転移現象 / 動的構造 / 応力緩和 / Van Hove function / 非弾性Ｘ腺散乱 / シミュレーション / 局所構造 / 液体の運動論 / 中性子散乱 / 非弾性Ｘ線散乱 / 実空間実時間相関 / 水のダイナミクス / 粘性起源 / 重水 / X線非弾性散乱 |
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| Outline of Final Research Achievements |
Local dynamics of atoms in liquids has been studied with inelastic X-ray scattering, neutron scattering, and molecular dynamics simulation. Inelastic X-ray scattering experiments revealed elementary excitation in the dynamics of liquid water and its connection to viscosity through real-space, real-time correlation function, so-called van-Hove function (VHF). We clearly found isotope effects on structural relaxation in liquids.
We also performed Brownian dynamics simulation and neutron scattering experiments on charged colloidal suspension under steady shear. The results show a close connection between steady shear viscosity and anisotropic pair-distribution function.
Molecular dynamics simulation on various liquid metals have showed a strong correlation between atomic level pressures and local shear relaxations, indicating that local structure-dynamics relationship holds.
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| Academic Significance and Societal Importance of the Research Achievements |
液体は，我々の身の回りに多く存在するが，液体状態の複雑性のために十分な理解が得られてない部分が大きい．例えば，液体の粘度を構造から事前に予測することはできない．近年の実験技術や計算機の進歩は，実空間での原子や分子の運動を捉えることを可能にしており，液体に関する新規な知見を得ることが期待されている．本研究では，水の実時空間相関関数を導くことに成功し，この結果は液体科学の進歩に大きく貢献している．
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