arXiv subjects

Tiezheng Qian

Publications and source records attributed to Tiezheng Qian.

22 records · Page 2Linked to original sources

arXiv2005

Hydrodynamic slip boundary condition at chemically patterned surfaces: A continuum deduction from molecular dynamics

We investigate the slip boundary condition for single-phase flow past a chemically patterned surface. Molecular dynamics (MD) simulations show that modulation of fluid-solid interaction along a chemically patterned surface induces a lateral structure in the fluid molecular organization near the surface. Consequently, various forces and stresses in the fluid vary along the patterned surface. Given the presence of these lateral variations, a general scheme is developed to extract hydrodynamic information from MD data. With the help of this scheme, the validity of the Navier slip boundary condition is verified for the chemically patterned surface, where a local slip length can be defined. Based on the MD results, a continuum hydrodynamic model is formulated using the Navier-Stokes equation and the Navier boundary condition, with a slip length varying along the patterned surface. Steady-state velocity fields from continuum calculations are in quantitative agreement with those from MD simulations. It is shown that, when the pattern period is sufficiently small, the solid surface appears to be homogeneous, with an effective slip length that can be controlled by surface patterning. Such a tunable slip length may have important applications in nanofluidics.

cond-mat.soft↗

arXiv2004

Driven cavity flow: from molecular dynamics to continuum hydrodynamics

Molecular dynamics (MD) simulations have been carried out to investigate the slip of fluid in the lid driven cavity flow where the no-slip boundary condition causes unphysical stress divergence. The MD results not only show the existence of fluid slip but also verify the validity of the Navier slip boundary condition. To better understand the fluid slip in this problem, a continuum hydrodynamic model has been formulated based upon the MD verification of the Navier boundary condition and the Newtonian stress. Our model has no adjustable parameter because all the material parameters (density, viscosity, and slip length) are directly determined from MD simulations. Steady-state velocity fields from continuum calculations are in quantitative agreement with those from MD simulations, from the molecular-scale structure to the global flow. The main discovery is as follows. In the immediate vicinity of the corners where moving and fixed solid surfaces intersect, there is a core partial-slip region where the slippage is large at the moving solid surface and decays away from the intersection quickly. In particular, the structure of this core region is nearly independent of the system size. On the other hand, for sufficiently large system, an additional partial-slip region appears where the slippage varies as $1/r$ with $r$ denoting the distance from the corner along the moving solid surface. The existence of this wide power-law region is in accordance with the asymptotic $1/r$ variation of stress and the Navier boundary condition.

physics.flu-dyn↗

arXiv2004

Power-Law Slip Profile of the Moving Contact Line in Two-Phase Immiscible Flows

Large scale molecular dynamics (MD) simulations on two-phase immiscible flows show that associated with the moving contact line, there is a very large $1/x$ partial-slip region where $x$ denotes the distance from the contact line. This power-law partial-slip region is verified in large-scale adaptive continuum simulations based on a local, continuum hydrodynamic formulation, which has proved successful in reproducing MD results at the nanoscale. Both MD and continuum simulations indicate the existence of a universal slip profile in the Stokes-flow regime, well described by $v^{slip}(x)/V_w=1/(1+{x}/{al_s})$, where $v^{slip}$ is the slip velocity, $V_w$ the speed of moving wall, $l_s$ the slip length, and $a$ is a numerical constant. Implications for the contact-line dissipation are discussed.

physics.flu-dyn↗

arXiv2003

Molecular scale contact line hydrodynamics of immiscible flows

From extensive molecular dynamics simulations on immiscible two-phase flows, we find the relative slipping between the fluids and the solid wall everywhere to follow the generalized Navier boundary condition, in which the amount of slipping is proportional to the sum of tangential viscous stress and the uncompensated Young stress. The latter arises from the deviation of the fluid-fluid interface from its static configuration. We give a continuum formulation of the immiscible flow hydrodynamics, comprising the generalized Navier boundary condition, the Navier-Stokes equation, and the Cahn-Hilliard interfacial free energy. Our hydrodynamic model yields interfacial and velocity profiles matching those from the molecular dynamics simulations at the molecular-scale vicinity of the contact line. In particular, the behavior at high capillary numbers, leading to the breakup of the fluid-fluid interface, is accurately predicted.

cond-mat.soft↗