مقاله Molecular dynamics simulation of surface roughness effects on nanoscale flows : تی پی بین

خلاصه مقاله

In the present study, a molecular based scheme has been developed for simulating of surface roughness effects on nano- and micro- scale flows. In micro channel flow, there are some differences on the flow friction between roughness and cavitations which are not well studied. In the presented approach, based on the Molecular Dynamics Simulation (MD), the Lennard–Jones potential is used to model the interactions between particles. Particles equation of motion is integrated using fifth order Gear predictor-corrector. Periodic boundary condition is implemented via minimum image convention. Each atom of the solid wall is anchored at its lattice site by a harmonic restoring force and its temperature has been controlled by utilizing Nose-Hoover thermostat. The roughness is implemented on the lower channel wall. To make a comparison between the effect of roughness and cavitations, the same dimension is used for both with different aspect ratio. To allow comparison with previous results, the same fluid density has been also used. The effects of surface roughness and cavitations on velocity distribution of hydrophobic and hydrophilic wall undergoing Poiseuille flow are presented.

نویسندگان

Reza Kamali [ School of Mechanical Engineering, Shiraz University, Zand Street, Shiraz 71348-51154, Iran ]

Ali Kharazmi [ School of Mechanical Engineering, Shiraz University, Zand Street, Shiraz 71348-51154, Iran ]

کلمات کلیدی

Molecular dynamics Lennard–Jones potential Poiseuille flow Roughness effects Cavitations effects Nanochannel

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مشاهده مقالات

International Journal of Thermal Sciences

The International Journal of Thermal Sciences is a journal devoted to the publication of fundamental studies on the physics of transfer processes in general, with an emphasis on thermal aspects and also applied research on various processes, energy systems and the environment. Articles are published in English and French, and are subject to peer review.

حوزه های تحت پوشش : Thermal Sciences