2009 Fiscal Year Final Research Report
Theoretical study on the pressure-induced structural change at high temperatures and high pressures
| Project/Area Number |
19540404
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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 | Hiroshima University |
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Principal Investigator |
HOSHINO Kozo Hiroshima University, 大学院・総合科学研究科, 教授 (30134951)
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| Co-Investigator(Kenkyū-buntansha) |
MUNEJIRI Shuji 広島大学, 大学院・総合科学研究科, 准教授 (90353119)
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| Project Period (FY) |
2007 – 2009
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| Keywords | 不規則系 / 液体 / 圧力誘起構造変化 / 第一原理シミュレーション / 分子動力学法 / カーボン / ナトリウム / スズ |
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| Research Abstract |
We have studied the pressure-induced structural change of liquids by ab initio molecular-dynamics simulations. As for liquid carbon and sodium, we investigated the pressure dependence of the structure and electronic states of liquids and clarified the relation of the structural change and the existence of the maximum of the melting curve. As for liquid tin, we have investigated the pressure-induced structural change at high pressures up to 4GPa and found that, with increasing pressure, the structure of liquid tin changes from the complex covalent-bonding anisotropic structure to the simple metallic isotropic close-packed structure.
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