This dissertation presents a volume filtering framework to solve particle-laden flows. Particle-laden flows are studied, employing the well-established Euler-Lagrange method, using the point-particle approximation. This approach requires the filter width to be much larger than the particle diameter. The method assumes that the particle is smaller than the Kolmogorov length scale. This thesis investigates how inertial particles at semi-dilute volume fractions modulate the flow characteristics for particles smaller than 1 in wall units, when dispersed within wall-bounded channel flows at friction Reynolds number of 180. The simulations are performed with 4 way coupling in order to account for high local concentration of particles, to capture mechanisms such as turbophoresis and preferential concentration. We show that drag attenuation or augmentation is determined by the particle inertia. As particle size is increased greater than 1 in wall units, the regime becomes finite-sized, requiring an interface-resolved description. To do this a novel Immersed Boundaries (IB) framework based on the concept of volume-filtering called the Volume-Filtered Immersed Boundary (VF-IB) method is presented. Transport equations are obtained by volume-filtering the Navier-Stokes equation and accounting for the stresses at the solid-fluid interface. Boundary conditions are transformed into bodyforces that appear as surface integrals on the right hand side of the filtered equation. The approach requires the filter width to be much smaller than the particle diameter in order to accurately resolve the interfacial dynamics. Several canonical tests are conducted for both stationary and moving immersed solids and report comparable results to the experimental and/or body-fitted simulations. Keep in mind, the VF-IB method reverts back to the Euler-Lagrange formulation if the filter width is significantly greater than the particle diameter. An artifact of volume-filtering is the emergence of unclosed terms we define as the sub-filter scale term. In order to characterize the contribution of this term on the solution, a more simpler case of a 2-D varying coefficient hyperbolic equation that has an exact solution is looked into. It is observed that the sub-filter scale term scales inversely with the square of the filter width. For fine interface resolution (i.e. small filter width), this value can be ignored with negligible effect to the accuracy of the numerical solution. However for coarse interface resolution (i.e. large filter width), including the sub-filter scale term significantly increases the accuracy of the numerical solution

This project is a synthesis of the author's learning over the semesters in working with the CFD Group at Arizona State University. The incompressible Navier-Stokes equations are overviewed, starting with the derivation from the continuity equation, then non-dimensionalization, methods of solving and computing quantities of interest. The rest of this document is expository analysis of solutions in a confined fluid flow, building toward a parametrically forced regime that generates complex flow patterns including Faraday waves. The solutions come from recently published studies Dynamics in a stably stratified tilted square cavity (Grayer et al.) and Parametric instabilities of a stratified shear layer (Buchta et al).

Compressible fluid flows involving multiple physical states of matter occur in both nature and technical applications such as underwater explosions and implosions, cavitation-induced bubble collapse in naval applications and Richtmyer-Meshkov type instabilities in inertial confinement fusion. Of particular interest is the atomization of fuels that enable shock-induced mixing of fuel and oxidizer in supersonic combustors. Due to low residence times and varying length scales, providing insight through physical experiments is both technically challenging and sometimes unfeasible. Numerical simulations can help provide detailed insight and aid in the engineering design of devices that can harness these physical phenomena.

In this research, computational methods were developed to accurately simulate phase interfaces in compressible fluid flows with a focus on targeting primary atomization. Novel numerical methods which treat the phase interface as a discontinuity, and as a smeared region were developed using low-dissipation, high-order schemes. The resulting methods account for the effects of compressibility, surface tension and viscosity. To aid with the varying length scales and high-resolution requirements found in atomization applications, an adaptive mesh refinement (AMR) framework is used to provide high-resolution only in regions of interest. The developed methods were verified with test cases involving strong shocks, high density ratios, surface tension effects and jumps in the equations of state, in one-, two- and three dimensions, obtaining good agreement with theoretical and experimental results. An application case of the primary atomization of a liquid jet injected into a Mach 2 supersonic crossflow of air is performed with the methods developed.

This dissertation studies two outstanding microscale fluid mechanics problems: 1) mechanisms of gas production from the nanopores of shale; 2) enhanced mass flow rate in steady compressible gas flow through a micro-conduit.

The dissertation starts with a study of a volumetric expansion driven drainage flow of a viscous compressible fluid from a small capillary and channel in the low Mach number limit. An analysis based on the linearized compressible Navier-Stokes equations with no-slip condition shows that fluid drainage is controlled by the slow decay of the acoustic wave inside the capillary and the no-slip flow exhibits a slip-like mass flow rate. Numerical simulations are also carried out for drainage from a small capillary to a reservoir or a contraction of finite size. By allowing the density wave to escape the capillary, two wave leakage mechanisms are identified, which are dependent on the capillary length to radius ratio, reservoir size and acoustic Reynolds number. Empirical functions are generated for an effective diffusive coefficient which allows simple calculations of the drainage rate using a diffusion model without the presence of the reservoir or contraction.

In the second part of the dissertation, steady viscous compressible flow through a micro-conduit is studied using compressible Navier-Stokes equations with no-slip condition. The mathematical theory of Klainerman and Majda for low Mach number flow is employed to derive asymptotic equations in the limit of small Mach number. The overall flow, a combination of the Hagen-Poiseuille flow and a diffusive velocity shows a slip-like mass flow rate even through the overall velocity satisfies the no-slip condition. The result indicates that the classical formulation includes self-diffusion effect and it embeds the Extended Navier-Stokes equation theory (ENSE) without the need of introducing additional constitutive hypothesis or assuming slip on the boundary. Contrary to most ENSE publications, the predicted mass flow rate is still significantly below the measured data based on an extensive comparison with thirty-five experiments.

This dissertation introduces FARCOM (Fortran Adaptive Refiner for Cartesian Orthogonal Meshes), a new general library for adaptive mesh refinement (AMR) based on an unstructured hexahedral mesh framework. As a result of the underlying unstructured formulation, the refinement and coarsening operators of the library operate on a single-cell basis and perform in-situ replacement of old mesh elements. This approach allows for h-refinement without the memory and computational expense of calculating masked coarse grid cells, as is done in traditional patch-based AMR approaches, and enables unstructured flow solvers to have access to the automated domain generation capabilities usually only found in tree AMR formulations.

The library is written to let the user determine where to refine and coarsen through custom refinement selector functions for static mesh generation and dynamic mesh refinement, and can handle smooth fields (such as level sets) or localized markers (e.g. density gradients). The library was parallelized with the use of the Zoltan graph-partitioning library, which provides interfaces to both a graph partitioner (PT-Scotch) and a partitioner based on Hilbert space-filling curves. The partitioned adjacency graph, mesh data, and solution variable data is then packed and distributed across all MPI ranks in the simulation, which then regenerate the mesh, generate domain decomposition ghost cells, and create communication caches.

Scalability runs were performed using a Leveque wave propagation scheme for solving the Euler equations. The results of simulations on up to 1536 cores indicate that the parallel performance is highly dependent on the graph partitioner being used, and differences between the partitioners were analyzed. FARCOM is found to have better performance if each MPI rank has more than 60,000 cells.

The dynamics of a fluid flow inside 2D square and 3D cubic cavities

under various configurations were simulated and analyzed using a

spectral code I developed.

This code was validated against known studies in the 3D lid-driven

cavity. It was then used to explore the various dynamical behaviors

close to the onset of instability of the steady-state flow, and explain

in the process the mechanism underlying an intermittent bursting

previously observed. A fairly complete bifurcation picture emerged,

using a combination of computational tools such as selective

frequency damping, edge-state tracking and subspace restriction.

The code was then used to investigate the flow in a 2D square cavity

under stable temperature stratification, an idealized version of a lake

with warmer water at the surface compared to the bottom. The governing

equations are the Navier-Stokes equations under the Boussinesq approximation.

Simulations were done over a wide range of parameters of the problem quantifying

the driving velocity at the top (e.g. wind) and the strength of the stratification.

Particular attention was paid to the mechanisms associated with the onset of

instability of the base steady state, and the complex nontrivial dynamics

occurring beyond onset, where the presence of multiple states leads to a

rich spectrum of states, including homoclinic and heteroclinic chaos.

A third configuration investigates the flow dynamics of a fluid in a rapidly

rotating cube subjected to small amplitude modulations. The responses were

quantified by the global helicity and energy measures, and various peak

responses associated to resonances with intrinsic eigenmodes of the cavity

and/or internal retracing beams were clearly identified for the first time.

A novel approach to compute the eigenmodes is also described, making accessible

a whole catalog of these with various properties and dynamics. When the small

amplitude modulation does not align with the rotation axis (precession) we show

that a new set of eigenmodes are primarily excited as the angular velocity

increases, while triadic resonances may occur once the nonlinear regime kicks in.

We study an idealized model of a wind-driven ocean, namely a 2-D lid-driven cavity with a linear temperature gradient along the side walls and constant hot and cold temperatures on the top and bottom boundaries respectively. In particular, we determine numerically the response on flow field and temperature stratification associated with the velocity of the lid driven by harmonic forcing using the Navier-Stokes equations with Boussinesq approximation in an attempt to gain an understanding of how variations of external forces (such as the wind over the ocean) transfer energy to a system by exciting internal modes through resonances. The time variation of the forcing, accounting for turbulence at the boundary is critical for allowing penetration of energy waves through the stratified medium in which the angles of the internal waves depend on these perturbation frequencies. Determining the results of the interaction of two 45 degree angle wave beams at the center of the cavity is of particular interest.

First, in a large-scale structure, a 3-D CFD model was built to simulate flow and temperature distributions. The flow patterns and temperature distributions are characterized and validated through spot measurements. The detailed understanding of them then allows for optimization of the HVAC configuration because identification of the problematic flow patterns and temperature mis-distributions leads to some corrective measures. Second, an appropriate form of the viscous dissipation term in the integral form of the conservation equation was considered, and the effects of momentum terms on the computed drop size in pressure-atomized sprays were examined. The Sauter mean diameter (SMD) calculated in this manner agrees well with experimental data of the drop velocities and sizes. Using the suggested equation with the revised treatment of liquid momentum setup, injection parameters can be directly input to the system of equations. Thus, this approach is capable of incorporating the effects of injection parameters for further considerations of the drop and velocity distributions under a wide range of spray geometry and injection conditions. Lastly, groundwater level estimation was investigated using compressed sensing (CS). To satisfy a general property of CS, a random measurement matrix was used, the groundwater network was constructed, and finally the l-1 optimization was run. Through several validation tests, correct estimation of groundwater level by CS was shown. Using this setup, decreasing trends in groundwater level in the southwestern US was shown. The suggested method is effective in that the total measurements of registered wells can be reduced down by approximately 42 %, sparse data can be visualized and a possible approach for groundwater management during extreme weather changes, e.g. in California, was demonstrated.

The heat and mass transfer phenomena in micro-scale for the mass transfer phenomena on drug in cylindrical matrix system, the simulation of oxygen/drug diffusion in a three dimensional capillary network, and a reduced chemical kinetic modeling of gas turbine combustion for Jet propellant-10 have been studied numerically. For the numerical analysis of the mass transfer phenomena on drug in cylindrical matrix system, the governing equations are derived from the cylindrical matrix systems, Krogh cylinder model, which modeling system is comprised of a capillary to a surrounding cylinder tissue along with the arterial distance to veins. ADI (Alternative Direction Implicit) scheme and Thomas algorithm are applied to solve the nonlinear partial differential equations (PDEs). This study shows that the important factors which have an effect on the drug penetration depth to the tissue are the mass diffusivity and the consumption of relevant species during the time allowed for diffusion to the brain tissue. Also, a computational fluid dynamics (CFD) model has been developed to simulate the blood flow and oxygen/drug diffusion in a three dimensional capillary network, which are satisfied in the physiological range of a typical capillary. A three dimensional geometry has been constructed to replicate the one studied by Secomb et al. (2000), and the computational framework features a non-Newtonian viscosity model for blood, the oxygen transport model including in oxygen-hemoglobin dissociation and wall flux due to tissue absorption, as well as an ability to study the diffusion of drugs and other materials in the capillary streams. Finally, a chemical kinetic mechanism of JP-10 has been compiled and validated for a wide range of combustion regimes, covering pressures of 1atm to 40atm with temperature ranges of 1,200 K - 1,700 K, which is being studied as a possible Jet propellant for the Pulse Detonation Engine (PDE) and other high-speed flight applications such as hypersonic missiles. The comprehensive skeletal mechanism consists of 58 species and 315 reactions including in CPD, Benzene formation process by the theory for polycyclic aromatic hydrocarbons (PAH) and soot formation process on the constant volume combustor, premixed flame characteristics.