2013 Fiscal Year Final Research Report
Effects of high-pressure environments on atomic dynamics in disordered materials with covalent bonds
| Project/Area Number |
23340106
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Condensed matter physics II
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| Research Institution | Kumamoto University |
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Principal Investigator |
SHIMOJO FUYUKI 熊本大学, 自然科学研究科, 教授 (60253027)
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| Co-Investigator(Kenkyū-buntansha) |
CHIBA Ayano 慶應義塾大学, 理工学部, 講師 (20424195)
ANIYA Masaru 熊本大学, 自然科学研究科, 教授 (30221724)
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| Co-Investigator(Renkei-kenkyūsha) |
HATTORI Takanori 独立行政法人日本原子力研究開発機構, 量子ビーム応用研究部門, 副主任研究員 (10327687)
KOURA Akihide 熊本大学, 学生支援部学務ユニット, 技術職員 (70537092)
KAJIHARA Yukio 広島大学, 総合科学研究科, 助教 (20402654)
KAJIHARA Yukio 広島大学, 総合科学研究科, 助教 (20402654)
OHMURA Satoshi 広島工業大学, 工学部, 助教 (90729352)
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| Project Period (FY) |
2011-04-01 – 2014-03-31
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| Keywords | 液体 / 構造不規則系 / 高圧環境 / 共有結合 / ダイナミクス / 第一原理計算 / 分子動力学法 / 非弾性散乱 |
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| Research Abstract |
The microscopic mechanisms of atomic diffusion and their pressure dependence in various covalent liquids, such as typically liquid silica, have been clarified by theoretical calculations based on first-principles molecular-dynamics simulations and experimental techniques of neutron and x-ray inelastic scattering. We investigated the time evolution of local atomic structure and bonding properties between atoms at each pressure, and discussed atomic dynamics in covalent liquids under pressure from a point of view of dynamic asymmetry. The knowledge obtained in this study is important in understanding dynamic properties of materials, such as silica and water, which are getting attention in many fields including geophysics and biology.
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