A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets

doi:10.1088/1674-1056/20/1/016801

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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
发表期刊	Chinese Physics B
	2011
卷号	20 期号:1 页码:16801
ISSN	1674-1056
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.
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
学科领域	Physics
DOI	10.1088/1674-1056/20/1/016801
URL	查看原文
收录类别	SCI ; EI ; CSCD
语种	英语
WOS记录号	WOS:000286676000074
关键词[WOS]	MONTE-CARLO SIMULATIONS ; DENSITY-FUNCTIONAL THEORY ; LENNARD-JONES FLUID ; STATISTICAL-MECHANICS ; INTERFACE ; POLYMERS ; PORES ; SYSTEMS
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
项目资助者	Project supported by the National Natural Science Foundation of China (Grant No. 10772189) and the Knowledge Innovation Program of Chinese Academy of Sciences.
论文分区	二类/Q2
引用统计	被引频次：10[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/44953
专题	非线性力学国家重点实验室
通讯作者	Zhu, RZ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China
推荐引用方式 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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