Molecular dynamics simulation of nanoscale liquid flows

doi:10.1007/s10404-010-0612-5

GIEC OpenIR > 中国科学院广州能源研究所

	Molecular dynamics simulation of nanoscale liquid flows
	Li, Yuxiu 2; Xu, Jinliang 3; Li, Dongqing 1
	2010-12-01
发表期刊	MICROFLUIDICS AND NANOFLUIDICS
卷号	9 期号:6 页码:1011-1031
摘要	Molecular dynamics (MD) simulation is a powerful tool to investigate the nanoscale fluid flow. In this article, we review the methods and the applications of MD simulation in liquid flows in nanochannels. For pressure-driven flows, we focus on the fundamental research and the rationality of the model hypotheses. For electrokinetic-driven flows and the thermal-driven flows, we concentrate on the principle of generating liquid motion. The slip boundary condition is one of the marked differences between the macro- and micro-scale flows and the nanoscale flows. In this article, we review the parameters controlling the degree of boundary slip and the new findings. MD simulation is based on the Newton's second law to simulate the particles' interactions and consists of several important processing methods, such as the thermal wall model, the cut-off radius, and the initial condition. Therefore, we also reviewed the recent improvement in these key methods to make the MD simulation more rational and efficient. Finally, we summarized the important discoveries in this research field and proposed some worthwhile future research directions.
文章类型	Review
关键词	Molecular Dynamics Simulation Liquid Flow Nanochannels Nanofluidics
WOS标题词	Science & Technology ; Technology ; Physical Sciences
DOI	10.1007/s10404-010-0612-5
研究领域[WOS]	Science & Technology - Other Topics ; Instruments & Instrumentation ; Physics
关键词[WOS]	FLUID-SOLID INTERFACE ; CARBON NANOTUBES ; BOUNDARY-CONDITIONS ; ELECTROKINETIC TRANSPORT ; ATOMISTIC SIMULATION ; NANOFLUIDIC CHANNELS ; SURFACE-ROUGHNESS ; SHEAR-FLOW ; WATER ; SLIP
收录类别	SCI
语种	英语
WOS类目	Nanoscience & Nanotechnology ; Instruments & Instrumentation ; Physics, Fluids & Plasmas
WOS记录号	WOS:000284335800001
引用统计	被引频次：127[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.giec.ac.cn/handle/344007/10319
专题	中国科学院广州能源研究所
作者单位	1.Univ Waterloo, Dept Mech & Mech Engn, Waterloo, ON N2L 3G1, Canada 2.Chinese Acad Sci, Guangzhou Inst Energy Convers, Guangzhou 510640, Peoples R China 3.N China Elect Power Univ, Beijing Key Lab New & Renewable Energy, Beijing 102206, Peoples R China
推荐引用方式 GB/T 7714	Li, Yuxiu,Xu, Jinliang,Li, Dongqing. Molecular dynamics simulation of nanoscale liquid flows[J]. MICROFLUIDICS AND NANOFLUIDICS,2010,9(6):1011-1031.
APA	Li, Yuxiu,Xu, Jinliang,&Li, Dongqing.(2010).Molecular dynamics simulation of nanoscale liquid flows.MICROFLUIDICS AND NANOFLUIDICS,9(6),1011-1031.
MLA	Li, Yuxiu,et al."Molecular dynamics simulation of nanoscale liquid flows".MICROFLUIDICS AND NANOFLUIDICS 9.6(2010):1011-1031.