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Molecular dynamics simulation of nanoscale liquid flows
Li, Yuxiu2; Xu, Jinliang3; Li, Dongqing1
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
DOI10.1007/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:83[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
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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.
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