Rekha Ranjana Rao

A finite element method for free surface flows of incompressible fluids in three dimensions. Part I. Boundary fitted mesh motion

Computational fluid mechanics techniques for examining free surface problems in two-dimensional form are now well established. Extending these methods to three dimensions requires a reconsideration of some of the difficult issues from two-dimensional problems as well as developing new formulations to handle added geometric complexity. This paper presents a new finite element formulation for handling three-dimensional free surface problems with a boundary-fitted mesh and full Newton iteration, which solves for velocity, pressure, and mesh variables simultaneously. A boundary-fitted, pseudo-solid approach is used for moving the mesh, which treats the interior of the mesh as a fictitious elastic solid that deforms in response to boundary motion. To minimize mesh distortion near free boundary under large deformations, the mesh motion equations are rotated into normal and tangential components prior to applying boundary conditions. The Navier–Stokes equations are discretized using a Galerkin–least square/pressure stabilization formulation, which provides good convergence properties with iterative solvers. The result is a method that can track large deformations and rotations of free surface boundaries in three dimensions. The method is applied to two sample problems: solid body rotation of a fluid and extrusion from a nozzle with a rectangular cross-section. The extrusion example exhibits a variety of free surface shapes that arise from changing processing conditions. Copyright

NMR measurements and simulations of particle migration in non-newtonian fluids

Shear-induced migration of particles is studied during the slow flow of suspensions of neutrally buoyant spheres, at 50% particle volume fraction, in an inelastic but shear-thinning, suspending fluid. The suspension is flowing in between a rotating inner cylinder and a stationary outer cylinder. The conditions are such that nonhydrodynamic effects are negligible. Nuclear magnetic resonance (NMR) imaging demonstrates that the movement of particles away from the high shear rate region is more pronounced than for a Newtonian suspending liquid. We test a continuum constitutive model for the evolution of particle concentration in a flowing suspension proposed by Phillips et al., but extended to shear-thinning, suspending fluids. The fluid constitutive equation is Carreau-like in its shear-thinning behavior but also varies with the local particle concentration. The model captures many of the trends found in the experimental data, but does not yet agree quantitatively. In fact, quantitative agreement with a diffusive flux constitutive equation would be impossible without the addition of another fitting parameter that may depend on the shear-thinning nature of the suspending fluid. Because of this, we feel that the Phillips model may be fundamentally inadequate for simulating flows of particles in non-Newtonian suspending fluids without the introduction of a normal stress correction or other augmenting terms.

Finite element simulation of the 2D collapse of a polyelectrolyte gel disk

Theoretical models describing the dynamic behavior of the expansion and contraction of polyelectrolyte gels present numerically challenging problems. This paper describes how a method of weighted residuals approach has been used to solve the two-dimensional governing system of equations by finite element analysis. The modulation of the imbibition/expulsion of solvent by a gel disk is studied as an example.

Iterative Solvers and Preconditioners for Fully-Coupled Finite Element Formulations of Incompressible Fluid Mechanics and Related Transport Problems

Finite element discretization of fully-coupled, incompressible flow problems with the classic mixed velocity-pressure interpolation produces matrix systems that render the best and most robust iterative solvers and preconditioners ineffective. The indefinite nature of the discretized continuity equation is the root cause and is one reason for the advancement of pressure penalty formulations, least-squares pressure stabilization techniques, and pressure projection methods. These alternatives have served as admirable expedients and have enabled routine use of iterative matrix solution techniques; but all remain plagued by exceedingly slow convergence in the corresponding nonlinear problem, lack of robustness, or limited range of accuracy. The purpose of this paper is to revisit matrix systems produced by this old mixed velocity-pressure formulation with two approaches: (1) deploying well-established tools consisting of matrix system reordering, GMRES, and ILU preconditioning on modern architectures with substantial distributed or shared memory, and (2) tuning the preconditioner by managing the condition number using knowledge of the physical causes leading to the large condition number. Results obtained thus far using these simple techniques are very encouraging when measured against the reliability (not efficiency) of a direct matrix solver. Here we demonstrate routine solution for an incompressible flow problem using the Galerkin finite element method, Newton-Raphson iteration, and the robust and accurate LBB element. We also critique via an historical survey the limitations of pressure-stabilization strategies and all other commonly used alternatives to the mixed formulation for acceleration of iterative solver convergence. The performance of the new iterative solver approaches on other classes of problems, including fluid-structural interaction, multi-mode viscoelasticity, and free surface flow is also demonstrated.

Practical application of thixotropic suspension models

The practical implementation of several thixotropic rheological models has been evaluated for a prototypical industrial application. We have studied the ability of the models to predict both steady and transient rheology of a suspension of alumina particles and the suitability of those models for full transient finite element calculations. The constitutive models for thixotropic materials examined include the Carreau-Yasuda model and first and second-order indirect structure models. While all of these models were able to predict the shear-thinning behavior of the steady viscosity, the first and second-order structure models were also able to capture some aspects of the transient structure formation and fluid history. However, they were not able to predict some more complex transient behavior observed in step shear experiments. For most thixotropic suspensions, the time constant required to form structure is longer than the time constant to break it down. For this suspension, the time constant at a given shear rate was also dependent on the previous shear rate. If the previous shear rate was high, the time required to reach equilibrium was longer than if the previous shear rate was lower. This behavior was not captured by the simple initial structure dependence in the previous models. By adding an additional dependence on the initial suspension structure, the prediction of the transient rheology was substantially improved while maintaining an excellent agreement with the steady shear viscosity. Finite element results are presented for extrusion of a suspension to form a fiber. This model two-dimensional problem contains many of the same complexities as practical three-dimensional mold filling simulations (i.e., nonviscometric and mobile free surface). Our results show that these direct structure models exhibit oscillations near the stick-slip point in finite element calculations similar to many polymeric constitutive equations, but are otherwise suitable for implementation in complex industrial modeling applications.The practical implementation of several thixotropic rheological models has been evaluated for a prototypical industrial application. We have studied the ability of the models to predict both steady and transient rheology of a suspension of alumina particles and the suitability of those models for full transient finite element calculations. The constitutive models for thixotropic materials examined include the Carreau-Yasuda model and first and second-order indirect structure models. While all of these models were able to predict the shear-thinning behavior of the steady viscosity, the first and second-order structure models were also able to capture some aspects of the transient structure formation and fluid history. However, they were not able to predict some more complex transient behavior observed in step shear experiments. For most thixotropic suspensions, the time constant required to form structure is longer than the time constant to break it down. For this suspension, the time constant at a given s...

Circulation within confined droplets in Hele-Shaw channels

Liquid droplets flowing through a rectangular microfluidic channel develop a vortical flow field due to the presence of shear forces from the surrounding fluid. In this paper, we present an experimental and computational study of droplet velocities and internal flow patterns in a rectangular pressure-driven flow for droplet diameters ranging from 0.1 to 2 times the channel height. Our study shows excellent agreement with asymptotic predictions of droplet and interfacial velocities for infinitesimally small droplets. As the droplet diameter nears the size of the channel height, the droplet velocity slows significantly, and the changing external flow field causes a qualitative change in the location of internal vortices. This behavior is relevant for future studies of mass transfer in microfluidic devices.

A level set approach to 3D mold filling of Newtonian fluids.

Filling operations, in which a viscous fluid displaces a gas in a complex geometry, occur with surprising frequency in many manufacturing processes. Difficulties in generating accurate models of these processes involve accurately capturing the interfacial boundary as it undergoes large motions and deformations, preventing dispersion and mass-loss during the computation, and robustly accounting for the effects of surface tension and wetting phenomena. This paper presents a numerical capturing algorithm using level set theory and finite element approximation. Important aspects of this work are addressing issues of mass-conservation and the presence of wetting effects. We have applied our methodology to a three-dimension model of a complicated filling problem. The simulated results are compared to experimental flow visualization data taken for filling of UCON oil in the identical geometry. Comparison of simulation and experiment indicates that the simulation conserved mass adequately and the simulated interface shape was in approximate agreement with experiment. Differences seen were largely attributed to inaccuracies in the wetting line model.Copyright

Modeling of Liquid-Liquid Extraction (LLE) Equilibria Using Gibbs Energy Minimization (GEM) for the System TBP–HNO3–UO2–H2O–Diluent

Liquid-liquid extraction (LLE) is a widely used separation method for an extensive range of metals including actinides. The Gibbs energy minimization (GEM) method is used to compute the complex chemical equilibria for the LLE system HNO3–H2O–UO2(NO3)2–TBP plus diluent at 25°C. The nonelectrolyte phase is treated as an ideal mixture defined by eight tri-n-butyl phosphate (TBP) complexes plus the inert diluent. The Pitzer method is used to capture nonidealities in the concentrated electrolyte phase. The generated extraction isotherms are in very good agreement with reported experimental data for various TBP loadings and electrolyte concentrations demonstrating the adequacy of this approach to analyze complex multiphase multicomponent systems. The model is robust and yet flexible allowing for expansion to other LLE systems and coupling with computational tools for parameter analysis and optimization.

Experiments for foam model development and validation.

A series of experiments has been performed to allow observation of the foaming process and the collection of temperature, rise rate, and microstructural data. Microfocus video is used in conjunction with particle image velocimetry (PIV) to elucidate the boundary condition at the wall. Rheology, reaction kinetics and density measurements complement the flow visualization. X-ray computed tomography (CT) is used to examine the cured foams to determine density gradients. These data provide input to a continuum level finite element model of the blowing process.

Nanoparticle transport in cellular blood flow

Abstract The biotransport of the intravascular nanoparticle (NP) is influenced by both the complex cellular flow environment and the NP characteristics. Being able to computationally simulate such intricate transport phenomenon with high efficiency is of far-reaching significance to the development of nanotherapeutics, yet challenging due to large length-scale discrepancies between NP and red blood cell (RBC) as well as the complexity of nanoscale particle dynamics. Recently, a lattice-Boltzmann (LB) based multiscale simulation method has been developed to capture both NP–scale and cell–level transport phenomenon at high efficiency. The basic components of this method include the LB treatment for the fluid phase, a spectrin-link method for RBCs, and a Langevin dynamics (LD) approach to capturing the motion of the suspended NPs. Comprehensive two-way coupling schemes are established to capture accurate interactions between each component. The accuracy and robustness of the LB–LD coupling method are demonstrated through the relaxation of a single NP with initial momentum and self-diffusion of NPs. This approach is then applied to study the migration of NPs in micro-vessels under physiological conditions. It is shown that Brownian motion is most significant for the NP distribution in 20 μ m venules. For 1 ∼ 100 nm particles, the Brownian diffusion is the dominant radial diffusive mechanism compared to the RBC-enhanced diffusion. For  ∼ 500 nm particles, the Brownian diffusion and RBC-enhanced diffusion are comparable drivers for the particle radial diffusion process.