| 研究課題/領域番号 |
13F03707
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| 研究機関 | 東京大学 |
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研究代表者 |
田中 肇 東京大学, 生産技術研究所, 教授 (60159019)
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| 研究分担者 |
INGEBRIGTSEN Trond 東京大学, 生産技術研究所, 外国人特別研究員
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| 研究期間 (年度) |
2013-04-26 – 2016-03-31
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| キーワード | Roskilde simple liquids / Molecular dynamics / GPU cluster / Size polydispersity |
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| 研究実績の概要 |
Recently, a new class of liquids was identified, the so-called Roskilde-simple (RS) liquids, and was shown to be simpler than other types of liquids. RS liquids are characterized by having strong correlations between the equilibrium fluctuations of the potential energy U and the virial W at constant volume. RS liquids are, among other things, characterized by having isomorphs and constitute a simplifying property of RS liquids. Isomorphs are curves in the phase diagram of RS liquids along which structure, dynamics, and some thermodynamic quantities are invariant in dimensionless units. In the year 2014, a high-speed graphics card (GPU) cluster was established in ''Tanaka Lab'' and molecular dynamics studies of size polydisperse systems were initiated in relation to RS liquids.
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| 現在までの達成度 (区分) |
現在までの達成度 (区分)
2: おおむね順調に進展している
理由
The main conclusions of this study were: 1. Highly size polydisperse liquids are RS in both 2D and 3D. 2. Isomorphs are a good approximation also for (highly) size polydisperse liquids. 3. Melting and freezing rules for size polydisperse liquids can be understood in terms of being RS.
Furthermore, this year, a study of medium range crystalline order (MRCO)in a 2D size polydisperse Lennard-Lones (LJ) liquid was initiated. MRCO has been shown to be relevant for understanding, for instance, supercooled liquids and the glass transition. This study was an ongoing study throughout the year but didn't bring forth any firm conclusions.
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| 今後の研究の推進方策 |
The research projects of the first section were planned to continue into 2015, i.e., the study of MRCO and size polydispersity. Additionally, a study of energy polydisperse LJ liquids was planned for 2015 both in relation to RS liquids and to its novel phase behavior.
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