A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets
文献类型：期刊论文
| 作者 | Zhu RC(朱如曾) ; Yan H(闫红)
|
| 刊名 | Chinese Physics B
 |
| 出版日期 | 2011 |
| 卷号 | 20期号:1页码:16801 |
| 通讯作者邮箱 | zhurz@lnm.imech.ac.cn |
| ISSN号 | 1674-1056 |
| 关键词 | Surface Tension Pressure Tensor Molecular Dynamics Simulation Equimolar Surface Monte-Carlo Simulations Density-Functional Theory Lennard-Jones Fluid Statistical-Mechanics Interface Polymers Pores Systems |
| 通讯作者 | Zhu, RZ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China |
| 产权排序 | [Zhu Ru-Zeng; Yan Hong] Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China |
| 中文摘要 | For the determination of surface tension of liquid droplets by molecular dynamics simulations, the most time-consuming part is the calculation of pressure tensor in the transition layer, which makes it difficult to enhance the precision of the computation. A new method for the calculation of surface tension of liquid droplets to reduce the calculation quantity of pressure tensor in transition layer to the minimum is proposed in this paper. Two thousand particles are taken as example to show how to carry out our scheme. |
| 学科主题 | Physics |
| 类目[WOS] | Physics, Multidisciplinary |
| 分类号 | 二类/Q2 |
| 研究领域[WOS] | Physics |
| 关键词[WOS] | MONTE-CARLO SIMULATIONS ; DENSITY-FUNCTIONAL THEORY ; LENNARD-JONES FLUID ; STATISTICAL-MECHANICS ; INTERFACE ; POLYMERS ; PORES ; SYSTEMS |
| 资助信息 | Project supported by the National Natural Science Foundation of China (Grant No. 10772189) and the Knowledge Innovation Program of Chinese Academy of Sciences. |
| 收录类别 | SCI ; EI ; CSCD |
| 原文出处 | http://dx.doi.org/10.1088/1674-1056/20/1/016801 |
| 语种 | 英语 |
| WOS记录号 | WOS:000286676000074 |
| 公开日期 | 2012-04-01 |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/44953]  |
| 专题 | 力学研究所_非线性力学国家重点实验室 |
| 推荐引用方式 GB/T 7714 | Zhu RC,Yan H. A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets[J]. Chinese Physics B,2011,20(1):16801. |
| APA | 朱如曾,&闫红.(2011).A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets.Chinese Physics B,20(1),16801. |
| MLA | 朱如曾,et al."A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets".Chinese Physics B 20.1(2011):16801. |
入库方式： OAI收割
来源：力学研究所
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