caa a22 4500 463235061 CHVBK 20180405153254.0 cr unu---uuuuu 170326e20071201xx s 000 0 eng 10.1007/s10404-007-0154-7 doi (NATIONALLICENCE)springer-10.1007/s10404-007-0154-7 Hybrid molecular dynamics-continuum simulation for nano/mesoscale channel flows [Elektronische Daten] [T. Yen, C. Soong, P. Tzeng] The present study deals with multiscale simulation of the fluid flows in nano/mesoscale channels. A hybrid molecular dynamics (MD)-continuum simulation with the principle of crude constrained Lagrangian dynamics for data exchange between continuum and MD regions is performed to resolve the Couette and Poiseuille flows. Unlike the smaller channel heights, H<50σ (σ is the molecular length scale, σ≈0.34nm for liquid Ar), considered in the previous works, this study deals with nano/mesoscale channels with height falling into the range of 44σ≤H ≤400σ, i.e., O(10)-O(102)nm. The major concerns are: (1) to alleviate statistic fluctuations so as to improve convergence characteristics of the hybrid simulation—a novel treatment for evaluation of force exerted on individual particle is proposed and its effectiveness is demonstrated; (2) to explore the appropriate sizes of the pure MD region and the overlap region for hybrid MD-continuum simulations—the results disclosed that, the pure MD region of at least 12σ and the overlap region of the height 10σ have to be used in this class of hybrid MD-continuum simulations; and (3) to investigate the influences of channel height on the predictions of the flow field and the slip length—a slip length correlation is formulated and the effects of channel size on the flow field and the slip length are discussed. Springer-Verlag, 2007 Multiscale simulation nationallicence Hybrid molecular dynamics-continuum method nationallicence Nanofluidics nationallicence Interfacial phenomena nationallicence Fluid slippage nationallicence Yen T. Graduate School of Defense Science Studies, Chung Cheng Institute of Technology, National Defense University, 33509, Tahsi, Taoyuan, Taiwan, ROC aut Soong C. Department of Aerospace and Systems Engineering, Feng Chia University, 40724, Seatwen, Taichung, Taiwan, ROC aut Tzeng P. Department of Aeronautical Engineering, Chung Cheng Institute of Technology, National Defense University, 33509, Tahsi, Taoyuan, Taiwan, ROC aut Microfluidics and Nanofluidics Springer-Verlag 3/6(2007-12-01), 665-675 1613-4982 3:6<665 2007 3 10404 https://doi.org/10.1007/s10404-007-0154-7 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10404-007-0154-7 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Yen T. Graduate School of Defense Science Studies, Chung Cheng Institute of Technology, National Defense University, 33509, Tahsi, Taoyuan, Taiwan, ROC aut NATIONALLICENCE 700 1- Soong C. Department of Aerospace and Systems Engineering, Feng Chia University, 40724, Seatwen, Taichung, Taiwan, ROC aut NATIONALLICENCE 700 1- Tzeng P. Department of Aeronautical Engineering, Chung Cheng Institute of Technology, National Defense University, 33509, Tahsi, Taoyuan, Taiwan, ROC aut NATIONALLICENCE 773 0- Microfluidics and Nanofluidics Springer-Verlag 3/6(2007-12-01), 665-675 1613-4982 3:6<665 2007 3 10404 Metadata rights reserved Springer special CC-BY-NC licence nationallicence SWISSBIB 463235045 BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer