First-principles molecular-dynamics simulation on thepressure-induced structural change of liquids
Project/Area Number |
22540389
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Research Category |
Grant-in-Aid for Scientific Research (C)
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Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Mathematical physics/Fundamental condensed matter physics
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Research Institution | Hiroshima University |
Principal Investigator |
HOSHINO Kozo 広島大学, 大学院・総合科学研究科, 教授 (30134951)
|
Co-Investigator(Kenkyū-buntansha) |
MUNEJIRI Shuji 広島大学, 大学院・総合科学研究科, 准教授 (90353119)
|
Project Period (FY) |
2010 – 2012
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Project Status |
Completed (Fiscal Year 2012)
|
Budget Amount *help |
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2012: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2011: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2010: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
|
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 / スズ / ナトリウム / カルシウム / シミュレーション / 液体スズ / 液体カルシウム / 液体中の横波 / 融解曲線 / 液体金属 / アモルファス氷 |
Research Abstract |
The purpose of this study is to clarify the mechanism of pressure-induced structural change of liquid Sn, liquid Na and liquid Ca at high temperatures and pressures using the ab initio molecular-dynamics simulations. We have clarified the relation between the structural change and the bonding character of liquid Sn, the relation between the melting point maximum at high pressure and the structure of liquid Na. We have also obtained the melting curve of liquid Ca at high pressure in relation to the pressure-induced structural change.
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Report
(4 results)
Research Products
(43 results)
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[Journal Article] Transverse excitations in liquid metals2013
Author(s)
S.Hosokawa, S.Munejiri, M.Inui, Y.Kajihara, W.-C.Pilgrim, Y.Ohmasa,S.Tsutsui, A. Q. R. Baron,F. Shimojo and K. Hoshino
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Journal Title
Journal of Physics: Condensed Matter
Volume: 25
Issue: 11
Pages: 112101-112101
DOI
NAID
Related Report
Peer Reviewed
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[Presentation] Transverse excitations in liquid Sn2011
Author(s)
S. Hosokawa, S. Munejiri, M. Inui, Y. Kajihara, W-C Pilgrim, Y. Ohmasa, A.Q.R.Baron, F. Shimojo and K. Hoshino
Organizer
8thInt. Conf. on Liquid Matter (Liquids 2011)
Place of Presentation
Wien, Austria
Year and Date
2011-09-10
Related Report
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[Presentation] Transverse excitations in liquid Sn2011
Author(s)
S.Hosokawa, S.Munejiri, M.Inui, Y.Kajihara, W-C Pilgrim, Y.Ohmasa, A.Q.R.Baron, F.Shimojo, K.Hoshino
Organizer
8^<th> International Conference on Liquid Matter
Place of Presentation
Wien, Austria
Year and Date
2011-09-09
Related Report
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