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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
Source PublicationChinese Physics B
2011
Volume20Issue:1Pages:16801
ISSN1674-1056
AbstractFor 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.
KeywordSurface Tension Pressure Tensor Molecular Dynamics Simulation Equimolar Surface Monte-carlo Simulations Density-functional Theory Lennard-jones Fluid Statistical-mechanics Interface Polymers Pores Systems
Subject AreaPhysics
DOI10.1088/1674-1056/20/1/016801
URL查看原文
Indexed BySCI ; EI ; CSCD
Language英语
WOS IDWOS:000286676000074
WOS KeywordMONTE-CARLO SIMULATIONS ; DENSITY-FUNCTIONAL THEORY ; LENNARD-JONES FLUID ; STATISTICAL-MECHANICS ; INTERFACE ; POLYMERS ; PORES ; SYSTEMS
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
Funding OrganizationProject 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
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/44953
Collection非线性力学国家重点实验室
Corresponding AuthorZhu, 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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