2012 Fiscal Year Final Research Report
First-principles molecular-dynamics simulation on thepressure-induced structural change of liquids
| Project/Area Number |
22540389
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Single-year Grants |
|---|
| Section | 一般 |
|---|
| Research Field |
Mathematical physics/Fundamental condensed matter physics
|
|---|
| 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
|
| 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 |
|---|
| 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.
|
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
[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
-
-
-
-
-
-
-
