Abstract
In this paper, we use molecular dynamics (MD) simulations to investigate changes in fluid flow at a solid/liquid interface. The flow is driven by shearing FCC structured solid molecular walls under isothermal conditions using previously developed interactive thermal wall models. For the nano-scale thin liquid film flows, a fluid molecular layer attached to the wall molecules behaves as an extended wall layer, which induces increased shearing in the middle of the fluid by reducing the width of the flow region. Small variations in molecular diameter length at the interface significantly affect flow characteristics. Shear locking on strong wetting surfaces caused by the dynamic structuring of fluid molecules (i.e., the fluid molecules layering on the solid surface due to the wall force field) increases the density and viscosity and decreases the shear rate and the heat dissipation ratio on the interface, which are important in nano-scale fluid flow analysis.
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References
Y. Li, J. Xu and D. Li, Molecular dynamics simulation of nanoscale liquid flows, Microfluid Nanofluid, 9 (2010) 1011–1031.
F. Heslot, N. Fraysse and A. M. Cazabat, Molecular layering in the spreading of wetting liquid drops, Nature, 338 (1989) 640–642.
B. Kim, A. Beskok and T. Cagin, Viscous heating in nanoscale shear driven liquid flows, Microfluid Nanofluid, 9 (2010) 31–40.
D. T. Semiromi and A. R. Azimian, Molecular dynamics simulation of annular flow boiling with the modified Lennard-Jones potential function, Heat Mass Transfer, 48 (2012) 141–152.
M. Cieplak, J. Koplik and J. R. Banavar, Boundary conditions at a fluid-solid interface, Phys. Rev. Lett., 86 (2001) 803–806.
N. V. Priezjev, A. A. Darhuber and S. M. Troian, Slip behavior in liquid films on surfaces of patterned wettability: Comparison between continuum and molecular dynamics simulations, Phys. Rev. E, 71 (2005) 041608.
N. V. Priezjev, Rate-dependent slip boundary conditions for simple fluids, Phys. Rev. E, 75 (2007) 051605.
P. A. Thompson and S. M. Troian, A general boundary condition for liquid flow at solid surfaces, Nature, 389 (1997) 360–362.
A. Jabbarzadeh, J. D. Atkinson and R. I. Tanner, Wall slip in the molecular dynamics simulation of thin films of hexadecane, J. Chem. Phys., 110 (1999) 2612–2620.
N. Asproulis and D. Drikakis, Boundary slip dependency on surface stiffness, Phys. Rev. E, 81 (2010) 061503.
N. Asproulis and D. Drikakis, Wall-mass effects on hydrodynamic boundary slip, Phys. Rev. E, 84 (2011) 031504.
L. Xue, P. Keblinski, S. R. Phillpot, S. U. S. Choi and J. A. Eastman, Effect of liquid layering at the liquid-solid interface on thermal transport, Int. J. Heat Mass Tran., 47 (2004) 4277–4284.
J. A. Thomas and A. J. H. McGaughey, Effect of surface wettability on liquid density, structure, and diffusion near a solid surface, J. Chem. Phys., 126 (2007) 034707.
F. Sofos, T. Karakasidis and A. Liakopoulos, Transport properties of liquid argon in krypton nanochannels: Anisotropy and non-homogeneity introduced by the solid walls, Int. J. Heat Mass Tran., 52 (2009) 735–743.
J. Sun, Y. He, W. Tao, X. Yin and H. Wang, Roughness effect on flow and thermal boundaries in microchannel/nanochannel flow using molecular dynamics-continuum hybrid simulation, Int. J. Numer. Method. Eng., 89 (2012) 2–19.
M. Kalweit and D. Drikakis, Multiscale Methods for micro/nano flows and materials, J. Comput. Theor. Nanos., 5 (2008) 1923–1938.
B. Kim, A. Beskok and T. Cagin, Thermal interactions in nanoscale fluid flow: molecular dynamics simulations with solid–liquid interfaces, Microfluid Nanofluid, 5 (2008) 551–559.
J. Koplik, J. R. Banavar and J. F. Willemsen, Molecular dynamics of fluid flow at solid surfaces, Phys. Fluids A, 1 (1989) 781–794.
M. P. Allen and D. J. Tildesley, Computer simulation of liquids, Clarendon Press, Oxford (1989).
H. C. Tseng, J. S. Wu and R. Y. Chang, Shear thinning and shear dilatancy of liquid n-hexadecane via equilibrium and nonequilibrium molecular dynamics simulations: Temperature, pressure, and density effects, J. Chem. Phys., 129 (2008) 01450220.
T. Ohara and D. Torii, Molecular dynamics study of thermal phenomena in an ultrathin liquid film sheared between solid surfaces: The influence of the crystal plane on energy and momentum transfer at solid-liquid interfaces, J. Chem. Phys., 122 (2005) 214717–9.
R. Khare, J. de Pablo and A. Yethiraj, Molecular simulation and continuum mechanics study of simple fluids in nonisothermal planar Couette flows, J. Chem. Phys., 107 (1997) 2589–2596.
S. Y. Liem, D. Brown and J. H. R. Clarke, Investigation of the homogeneous-shear nonequilibrium-molecular-dynamics method, Phys. Rev. A, 45 (1992) 3706–3713.
G. Karniadakis, N. R. Aluru and A. Beskok, Microflows and nanoflows, SpringerLink (2005) 29:817.
B. H. Kim, A. Beskok and T. Cagin, Molecular dynamics simulations of thermal resistance at the liquid-solid interface, Journal. Chem. Phys., 129 (2008) 174701.
L. Xue, P. Keblinski, S. R. Phillpot, S. U. S. Choi and J. A. Eastman, Two regimes of thermal resistance at a liquid—solid interface, J. Chem. Phys., 118 (2003) 337–339.
D. Chaudhuri, A. Chaudhuri and S. Sengupta, Heat conduction through a trapped solid: the effect of structural changes on the thermal conductance, J. Phys.: Condens. Matter, 19 (2007) 152201.
D. Torii, T. Ohara and K. Ishida, Molecular-scale mechanism of thermal resistance at the solid-liquid interfaces: influence of interaction parameters between solid and liquid molecules, J. Heat Tran., 132 (2010) 012402.
J. L. Barrat and F. Chiaruttini, Kapitza resistance at the liquid-solid interface, Mol. Phys., 101 (2003) 1605–1610.
D. Chaudhuri and A. Dhar, Heat conduction in a confined solid strip: Response to external strain, Phys. Rev. E, 74 (2006) 016114.
J. Che, T. Çagin and W. A. Goddard III, Thermal conductivity of carbon nanotubes, Nanotechnology, 11 (2000) 65.
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Truong Quoc Vo is a Ph.D. candidate in the School of Mechanical Engineering, University of Ulsan, Korea. His current scientific interests are micro-/nano-fluidics, nanoscale heat transfer, surface and interface effect, and their applications on electronic or fluidic devices.
BooSeong Park is a Master candidate in the School of Mechanical Engineering, University of Ulsan, Korea. He is currently investigating modeling and simulation, fluid flow and heat transfer in micro-/nano-channels, energy system design and optimization.
ChoHee Park is a Master candidate in the School of Mechanical Engineering, University of Ulsan, Korea. Her interests are Molecular Dynamics simulation, micro-/nano-fluidics, operations research and optimization, numerical modeling and simulation.
BoHung Kim is an Assistant Professor in School of Mechanical Engineering, University of Ulsan, Korea. He received his Ph.D. degree from Department of Mechanical Engineering, Texas A&M University, United States. His research interests are molecular neuroscience, Molecular Dynamics and nanoscale gas/liquid flow, and numerical method.
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Vo, T.Q., Park, B., Park, C. et al. Nano-scale liquid film sheared between strong wetting surfaces: effects of interface region on the flow. J Mech Sci Technol 29, 1681–1688 (2015). https://doi.org/10.1007/s12206-015-0340-6
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DOI: https://doi.org/10.1007/s12206-015-0340-6