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A molecular dynamics study of perturbed Poiseuille flow in a nanochannel

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Abstract

This paper reports the results from a nonequilibrium molecular dynamics (NEMD) simulation and analytical solution of Poiseuille flow through a nanochannel. Two kinds of external perturbing forces, sinusoidal and step pulse, have been applied on the flow passing through a nanochannel. A total number of 2,000 particles of simple fluid interacting with one another, according to the Week–Chandler–Anderson (WCA) potential model between two parallel plates, has been considered in this study. The flow is bounded by horizontal walls in one direction and periodic boundary conditions are imposed in the other two directions. The velocity profile predicted by molecular dynamics is a second-order polynomial and is in good agreement with the analytical solution based on the Navier–Stokes equations. The temperature profile obtained from the molecular dynamics simulation also conforms to the overall continuum predictions of a fourth-order polynomial energy equation. Moreover, in the vicinity of the boundaries, a jump in temperature profile has been observed.

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Abbreviations

F ij :

Intermolecular force on molecule i by other molecules

F e :

External applied force on molecules

m :

Mass of molecule

r ij :

Position of molecule i relative to j

r c :

The cutoff distance

t :

Time

T :

Temperature

V i :

Velocity of molecule i

u :

x component of molecular velocity

ɛ :

A parameter characterizing the strength of interaction (energy parameter in potential)

ρ :

The fluid number density

σ :

Molecular length scale

ϕ :

Potential

μ :

Shear viscosity

x :

Denotes x component of the variables

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Acknowledgements

The authors would like to acknowledge the financial support of the Natural Sciences and Engineering Research Council of Canada (NSERC).

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Authors and Affiliations

  1. Department of Mechanical and Manufacturing Engineering, The University of Calgary, 2500 University Dr, Calgary, AB, T2N 1N4, Canada

    A. S. Ziarani & A. A. Mohamad

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  1. A. S. Ziarani
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  2. A. A. Mohamad
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Correspondence to A. A. Mohamad.

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Ziarani, A.S., Mohamad, A.A. A molecular dynamics study of perturbed Poiseuille flow in a nanochannel. Microfluid Nanofluid 2, 12–20 (2006). https://doi.org/10.1007/s10404-005-0036-9

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