| A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets | |
Zhu RC(朱如曾) ; Yan H(闫红); Zhu, RZ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China
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| Source Publication | Chinese Physics B
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| 2011 | |
| Volume | 20Issue:1Pages:16801 |
| ISSN | 1674-1056 |
| Abstract | 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. |
| Keyword | Surface Tension Pressure Tensor Molecular Dynamics Simulation Equimolar Surface Monte-carlo Simulations Density-functional Theory Lennard-jones Fluid Statistical-mechanics Interface Polymers Pores Systems |
| Subject Area | Physics |
| DOI | 10.1088/1674-1056/20/1/016801 |
| URL | 查看原文 |
| Indexed By | SCI ; EI ; CSCD |
| Language | 英语 |
| WOS ID | WOS:000286676000074 |
| WOS Keyword | MONTE-CARLO SIMULATIONS ; DENSITY-FUNCTIONAL THEORY ; LENNARD-JONES FLUID ; STATISTICAL-MECHANICS ; INTERFACE ; POLYMERS ; PORES ; SYSTEMS |
| WOS Research Area | Physics |
| WOS Subject | Physics, Multidisciplinary |
| Funding Organization | Project supported by the National Natural Science Foundation of China (Grant No. 10772189) and the Knowledge Innovation Program of Chinese Academy of Sciences. |
| Classification | 二类/Q2 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/44953 |
| Collection | 非线性力学国家重点实验室 |
| Corresponding Author | Zhu, RZ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China |
| Recommended Citation GB/T 7714 | Zhu RC,Yan H,Zhu, RZ . 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,&Zhu, RZ .(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. |
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