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Molecular Dynamics Simulation of Annular Flow Boiling in a Microchannel with 70000 Atoms

Authors: D.Toghraie, A.R.Azimian


Molecular dynamics simulation of annular flow boiling in a nanochannel with 70000 particles is numerically investigated. In this research, an annular flow model is developed to predict the superheated flow boiling heat transfer characteristics in a nanochannel. To characterize the forced annular boiling flow in a nanochannel, an external driving force F ext ranging from 1to12PN (PN= Pico Newton) is applied along the flow direction to inlet fluid particles during the simulation. Based on an annular flow model analysis, it is found that saturation condition and superheat degree have great influences on the liquid-vapor interface. Also, the results show that due to the relatively strong influence of surface tension in small channel, the interface between the liquid film and vapor core is fairly smooth, and the mean velocity along the stream-wise direction does not change anymore.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD), Annular Flow Boiling

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[1] D.C. Rapaport, "The art of molecular dynamics simulation", England: Cambridge University Press, 1995.
[2] D. Frenkel, B. Smit, "Understanding molecular simulation - from algorithms to applications", Academic Press, 1996.
[3] L.N. Long, M.M. Micci, B.C. Wong, "Molecular dynamics simulation of droplet evaporation", Comp. Phys. Commun, 1996.
[4] J.R. Lukes, X.G. Liang, and C.L. Tien, " Molecular dynamics study of solid thin-film thermal conductivity" Proceedings of the 1998 International Mechanical Engineering Congress and Exposition November 15-20, Anaheim, California, pp.229-240, 1998.
[5] P. Yi, D. Poulikakos, J. Walther and G. Yadigaroglu, "Molecular dynamics simulation of vaporization of an ultra-thin liquid Argon layer on a surface", International Heat and Mass Transfer, Vol. 45, pp. 2087- 2100, 2002.
[6] Z.J. Wang, M. Chen and Z.Y. Guo, "A non-equilibrium molecular dynamics simulation of evaporation", International Conference Passive and Low Energy Cooling for the Built Environment, Santorini, Greece Vol.1, pp. 543-547, 2005.
[7] T. Dong, Z. Yang, H. Wu, "Molecular simulations of R141b boiling flow in micro/nano channel: Interfacial phenomena", Energy Conversion and Management, Vol. 47, pp.2178-2191, 2006.
[8] C.Y. Ji, Y.Y. Yan, "A molecular dynamics simulation of liquid-vaporsolid system near triple phase contact line of flow boiling in a microchannel", Applied thermal engineering, Vol.28, pp.195- 202, 2008.
[9] S.D. Stoddard, P.J. Ford, "Numerical experiments on the stochastic behavior of a Lennard-Jones gas system", Phys Rev A, Vol.8, pp.1504- 1512, 1973.
[10] D. Toghraie Semiromi, A.R. Azimian, "Molecular dynamics simulation of liquid-vapor phase equilibrium by using the modified Lennard-Jones potential function", Heat Mass Transfer, Vol. 46, pp.287-294, 2010.
[11] P.A., Thompson, M.O. Robbins, "Shear flow near solids: Epitaxial order and flow boundary conditions", Phys. Rev. A, Vol. 41, pp.6830-6837, 1990.
[12] P. Yi, D. Poulikakos, J. Walther, G. Yadigaroglu, "Molecular dynamics simulation of vaporization of an ultra-thin liquid Argon layer on a surface, Int J Heat Mass Transfer, Vol.45, pp.2087-2100, 2002.
[13] C.Y. Ji, T. Tsuruta, G. Nagayama, "Effects of solid heating surface on nanometer sized liquid films", Thermal Science and Engineering, Vol. 13, pp.25-28, 2005.
[14] G. Sutmann, "Classical molecular dynamics", John Von Neumann Institute for Computing. J ulich, NIC Series, Vol.10, pp.211-254, 2002
[15] J.M. Haile, "Molecular dynamics simulation, elementary methods", Wiley-Interscience Publication, 1997.
[16] F.J. Alexander, A.L. Garcia, "The direct simulation of Monte-Carlo method", Computer Simulation Journal, Vol. 11, pp.588-593, 1997.
[17] J.L. Xu, F.J. Zhou, A.L. Garcia, " Molecular dynamics simulation of micro- Poiseuille flow for liquid argon in nanoscale", J. Heat and Mass Transfer, Vol. 47, pp. 501-513, 2004.
[18] I. Bitsanis, J.J. Magda, M. Tirrell, H.T. Davis, "Molecular dynamics of flow in microscopes", J Chem Phys, Vol.87, pp.173-175, 1987.
[19] G. Nagayama, P. Cheng, "Effects of interface wettability on microscale flow by molecular dynamics simulation", Int. J. of Heat and Mass Transfer, Vol. 47, pp. 501-513, 2004.
[20] S. Somers, H.T. Davis, "Microscopic dynamics of fluids confined between smooth and atomically structured solid surface", J Chem Phys, Vol.96, pp.5389-5407, 1992.
[21] D. Toghraie Semiromi D, A.R. Azimian, "Nanoscale Poiseuille flow and effects of modified Lennard-Jones potential function", Heat Mass Transfer, Vol. 46, pp.791-801, 2010.
[22] D. Toghraie Semiromi D, A.R. Azimian, "Molecular dynamics simulation of nonodroplets with the modified Lennard-Jones potential function", Heat Mass Transfer, Article in press, 2010.