多分散性は構造・ダイナミクス・熱力学の間に影響を与えるか

多分散性会影响结构、动力学和热力学吗？

• 批准号: 13F03707
• 负责人: 田中 肇
• 金额: $ 0.96万
• 依托单位: The University of Tokyo
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for JSPS Fellows
• 财政年份: 2013
• 资助国家: 日本
• 起止时间: 2013-04-26 至 2016-03-31
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-13F03707/
• 关键词: Roskilde simple liquids; Molecular Dynamics; Energy Polydispersity; Molecular dynamics; GPU cluster; Size polydispersity; Lennard-Jones(LJ)液体

The research on size polydisperse LJ liquids in relation to RS liquids was published this year in:T. S. Ingebrigtsen, and H. Tanaka, Effect of Size Polydispersity on the Nature of Lennard-Jones Liquids. J. Phys. Chem. B 119, 11052 (2015). Biman Bagchi Festschrift．Research related to RS liquids and energy polydispersity was initiated and brought the conclusions: 1. Energy polydisperse LJ liquids are also RS liquids, although phase separation tends to destroy the strong UW correlation. 2. Isomorphs are a good approximation also for energy polydisperse LJ liquids.During the year 2015， a competing group published a study on the phase behavior of the energy polydisperse LJ system and our study was thus focused on the connection to RS liquids. This study was described in a draft manuscript but not submitted for publication before the end of the JSPS term.The study related to MRCO of the 2D LJ liquid appeared more difficult than anticipated and was continued thoughout the year but didn't bring any firm conclusions. Additionally, this year, very preliminary studies of a 2D size polydisperse LJ liquid under Couette shear flow were initiated. This very early study leads to the formulation of a project description submitted to the Institute of Industrial Science, University of Tokyo after the JSPS term.

关于RS液体相关的大小多分散液体液体的研究于今年发表在：t。 S. Ingebrigtsen和H. Tanaka，尺寸多分散性对Lennard-Jones液体性质的影响。 J. Phys。化学B 119，11052（2015）。 Biman Bagchi Festschrift。与RS液体和能量多分散性有关的研究启动并得出了结论：1。能量多分散LJ液体也是RS液体，尽管相位分离倾向于破坏强大的UW相关性。 2。同构也是能量多分散液体液体的良好近似值。在2015年，一个竞争小组发表了一项关于能量多分散LJ系统的相行为的研究，因此我们的研究集中在与RS液体的联系上。这项研究是在手稿草案中描述的，但在JSPS任期结束之前没有提交出版。与2D LJ液体的MRCO相关的研究似乎比预期的要困难得多，并且与本年度不同，但没有提出任何确定的结论。此外，今年启动了对2D尺寸多分散液体液体的非常初步的研究。非常早期的研究导致了JSPS期限后提交给东京大学工业科学研究所的项目描述的公式。

项目成果

ソフトマター 田中研

软物质田中实验室

Effect of Size Polydispersity on the Nature of Lennard-Jones Liquids

• DOI: 10.1021/acs.jpcb.5b02329
• 发表时间: 2015-08-27
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY B
• 影响因子: 3.3
• 作者: Ingebrigtsen, Trond S.;Tanaka, Hajime
• 通讯作者: Tanaka, Hajime

Tanaka Lab. Physics of Soft Condensed Matter

田中实验室。

Roskilde-simple liquids and their isomorphs: With applications to nanoconfined, polydisperse, and non-equilibrium liquids

罗斯基勒简单液体及其同构：在纳米限制、多分散和非平衡液体中的应用

• 发表时间: 2015
• 作者: 津田諭志;江川達郎;大島里詠子;木谷一登;馬嘯;林達也;Trond S. Ingebrigtsen
• 通讯作者: Trond S. Ingebrigtsen

Polydispersity and its effect on strong virial/potential energy correlations in two dimensions

多分散性及其对二维强维里/势能相关性的影响

• 发表时间: 2014
• 作者: 津田諭志;江川達郎;大島里詠子;林達也;Trond Ingebrigtsen
• 通讯作者: Trond Ingebrigtsen