Bin size determination for the measurement of mean flow velocity in molecular dynamics simulations

2012 ◽  
Vol 71 (7) ◽  
pp. 930-938 ◽  
Author(s):  
S. M. H. Karimian ◽  
S. Izadi
1993 ◽  
Vol 141 (2) ◽  
pp. 368-379 ◽  
Author(s):  
B.S. Clausen ◽  
L. Grabaek ◽  
H. Topsoe ◽  
L.B. Hansen ◽  
P. Stoltze ◽  
...  

2012 ◽  
Vol 229-231 ◽  
pp. 22-25
Author(s):  
Zhong Qiang Zhang ◽  
Guang Gui Cheng ◽  
Jian Ning Ding ◽  
Zhi Yong Ling

Molecular dynamics simulations are carried out to explore the fluid flows in parallel-plate nanochannels. A “channel moving” pressure-driven model is utilized to study the planar Poiseuille flows. Considering the slip boundary conditions, relationships among the pressure gradient, mean flow velocity and the channel width are investigated to couple the atomistic regime to continuum. The results show that the mean flow velocity almost linearly increases with the increase of the pressure gradient. The slope of the linear relationship between the pressure gradient and the mean flow velocity is nonlinearly decreased with increasing the channel width. The results indicate that the approximate accuracy is reduced with decreasing the channel width while the pressure-driven flows confined in nanochannels are approximately described by the Navier-Stokes equations.


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