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.

A molecular dynamics study has been performed on a liquid film sheared between moving solid walls. Thermal phenomena that occur in the Couette-like flow were examined, including energy conversion from macroscopic flow energy to thermal energy, i.e., viscous heating in the macroscopic sense, and heat conduction from the liquid film to the solid wall via liquid-solid interfaces. Four types of crystal planes of fcc lattice were assumed for the surface of the solid wall. The jumps in velocity and temperature at the interface resulting from deteriorated transfer characteristics of thermal energy and momentum at the interface were observed. It was found that the transfer characteristics of thermal energy and momentum at the interfaces are greatly influenced by the types of crystal plane of the solid wall surface which contacts the liquid film. The mechanism by which such a molecular scale structure influences the energy transfer at the interface was examined by analyzing the molecular motion and its contribution to energy transfer at the solid-liquid interface.

[1]  Simon R. Phillpot,et al.  Effect of liquid layering at the liquid–solid interface on thermal transport , 2004 .

[2]  T. Ohara,et al.  ENERGY AND MOMENTUM TRANSFER IN AN ULTRATHIN LIQUID FILM UNDER SHEAR BETWEEN SOLID SURFACES , 2003 .

[3]  S. Richardson,et al.  On the no-slip boundary condition , 1973, Journal of Fluid Mechanics.

[4]  Heinbuch,et al.  Liquid flow in pores: Slip, no-slip, or multilayer sticking. , 1989, Physical review. A, General physics.

[5]  Kenjiro Kamijo,et al.  Effect of molecular elongation on the thermal conductivity of diatomic liquids , 2003 .

[6]  S. Granick,et al.  Rate-dependent slip of Newtonian liquid at smooth surfaces. , 2001, Physical review letters.

[7]  Ephraim M Sparrow,et al.  Advances in Numerical Heat Transfer , 1996 .

[8]  T. Suzuki.  INTERMOLECULAR MOMENTUM TRANSFER IN A SIMPLE LIQUID AND ITS CONTRIBUTION TO SHEAR VISCOSITY , 2001 .

[9]  Marek Cieplak,et al.  Christodoulides, Demetrios N. , 2001 .

[10]  Krim,et al.  Experimental observation of interfacial slippage at the boundary of molecularly thin films with gold substrates. , 1990, Physical review. B, Condensed matter.

[11]  Robbins,et al.  Simulations of contact-line motion: Slip and the dynamic contact angle. , 1989, Physical review letters.

[12]  Susan A. Somers,et al.  Microscopic dynamics of fluids confined between smooth and atomically structured solid surfaces , 1992 .

[13]  M. Robbins,et al.  Origin of Stick-Slip Motion in Boundary Lubrication , 1990, Science.

[14]  Derek Y. C. Chan,et al.  The drainage of thin liquid films between solid surfaces , 1985 .

[15]  Denis J. Evans,et al.  The heat flux vector for highly inhomogeneous nonequilibrium fluids in very narrow pores , 1995 .

[16]  Robbins,et al.  Phase transitions and universal dynamics in confined films. , 1992, Physical review letters.

[17]  J. H. Cushman,et al.  Shear Forces in Molecularly Thin Films , 1989, Science.

[18]  Roger I. Tanner,et al.  Rheological properties of thin liquid films by molecular dynamics simulations , 1997 .

[19]  Susan A. Somers,et al.  Microscopic dynamics of flow in molecularly narrow pores , 1990 .

[20]  S. Troian,et al.  A general boundary condition for liquid flow at solid surfaces , 1997, Nature.

[21]  J. Pablo,et al.  Molecular simulation and continuum mechanics study of simple fluids in non-isothermal planar couette flows , 1997 .

[22]  R. Kjellander,et al.  A study of anisotropic pair distribution theories for Lennard-Jones fluids in narrow slits. Part II. Pair correlations and solvation forces , 1991 .

[23]  Robbins,et al.  Shear flow near solids: Epitaxial order and flow boundary conditions. , 1990, Physical review. A, Atomic, molecular, and optical physics.

[24]  Joel Koplik,et al.  Molecular dynamics of fluid flow at solid surfaces , 1989 .

[25]  S. Phillpot,et al.  Two regimes of thermal resistance at a liquid-solid interface , 2003 .

[26]  S. Granick,et al.  STICK TO SLIP TRANSITION AND ADHESION OF LUBRICATED SURFACES IN MOVING CONTACT , 1994 .

[27]  T. Ohara, D. Suzuki,et al.  INTERMOLECULAR ENERGY TRANSFER AT A SOLID-LIQUID INTERFACE , 2000 .

[28]  Peter T. Cummings,et al.  Shear behavior of squalane and tetracosane under extreme confinement. I. Model, simulation method, and interfacial slip , 1997 .

[29]  J R Banavar,et al.  Boundary conditions at a fluid-solid interface. , 2001, Physical review letters.

[30]  Jianping Gao,et al.  Structures, solvation forces and shear of molecular films in a rough nano-confinement , 2000 .

[31]  T. Ohara.  Intermolecular energy transfer in liquid water and its contribution to heat conduction: A molecular dynamics study , 1999 .

[32]  R. Evans,et al.  The density profile of a confined fluid , 1988 .

[33]  Atkinson,et al.  Effect of the wall roughness on slip and rheological properties of hexadecane in molecular dynamics simulation of couette shear flow between two sinusoidal walls , 2000, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[34]  L. Léger,et al.  Direct experimental evidence of slip in hexadecane: solid interfaces , 2000, Physical review letters.