Computational fluid dynamics (CFD) is a tool that is widely used in most industries today. It is important to have rigorous techniques to estimate the error produced when using CFD. This thesis develops techniques to estimate discretization error for unsteady flows using the unsteady error transport equation (ETE) as well as defect correction. A framework to obtain exact truncation error and estimated truncation error is also presented. The technique and results for the steady-state cases are given and the algorithm used for the steady case is extended for the unsteady case. Numerical results are presented for the steady viscous Burgers' equation, unsteady viscous Burgers' equation, steady quasi-1D Euler equations, and unsteady 1D Euler equations when applied to a shock tube. Cases using either defect correction or ETE are shown to give higher orders of accuracy for the corrected discretization error estimates when compared to the discretization error of the primal solution. / Master of Science / Computational fluid dynamics (CFD) is a tool that is widely used in most industries today. It is used to understand complex flows that are difficult to replicate using experimental techniques or by theoretical methods. It is important to have rigorous techniques to estimate the error produced when using CFD even when the exact solution is not available for comparison. This paper develops techniques to estimate discretization error for unsteady flows. Discretization error has one of the largest error magnitudes in CFD solutions. The exact physics dictates the use of continuous equations but to apply CFD techniques, the continuous equations have to be converted to discrete equations. Truncation error is, the error obtained when converting the continuous equations to discrete equations. This truncation error is in turn, the local source term for discretization error. To reduce the discretization error in the discrete equations, the exact or estimated truncation error is either added as a source term to the discrete equations or is used along with the error transport equation to get a better estimate of the solutions. A framework to obtain exact truncation error and estimated truncation error is also presented. The framework is first applied to the steady equations and is verified with results from previous studies and is then extended to the unsteady flows.

Computational Fluid Dynamics (CFD) has been widely used as a tool to analyze physical phenomena involving fluids. To perform a CFD simulation, the governing equations are discretized to formulate a set of nonlinear algebraic equations. Typical spatial discretization schemes include finite-difference methods, finite-volume methods, and finite-element methods. Error introduced in the discretization process is called discretization error and defined as the difference between the exact solution to the discrete equations and the exact solution to the partial differential or integral equations. For most CFD simulations, discretization error accounts for the largest portion of the numerical error in the simulation. Discretization error has a complicated nonlinear relationship with the computational grid and the discretization scheme, which makes it especially difficult to estimate. Thus, it is important to study the discretization error to characterize numerical errors in a CFD simulation. Discretization error estimation is performed using the Error Transport Equations (ETE) in this work. The original nonlinear form of the ETE can be linearized to formulate the linearized ETE. Results of the two types of the ETE are compared. This work implements the ETE for finite-volume methods and Discontinuous Galerkin (DG) finite-element methods. For finite volume methods, discretization error estimates are obtained for both steady state problems and unsteady problems. The work on steady-state problems focuses on turbulent flow modelled by the Spalart-Allmaras (SA) model and Menter's $k-omega$ SST model. Higher-order discretization error estimates are obtained for both the mean variables and the turbulence working variables. The type of pseudo temporal discretization used for the steady-state problems does not have too much influence on the final converged solution. However, the temporal discretization scheme makes a significant difference for unsteady problems. Different temporal discretizations also impact the ETE implementation. This work discusses the implementation of the ETE for the 2-step Backward Difference Formula (BDF2) and the Singly Diagonally Implicit Runge-Kutta (SDIRK) methods. Most existing work on the ETE focuses on finite-volume methods. This work also extends ETE to work with the DG methods and tests the implementation with steady state inviscid test cases. The discretization error estimates for smooth test cases achieve the expected order of accuracy. When the test case is non-smooth, the truncation error estimation scheme fails to generate an accurate truncation error estimate. This causes a reduction of the discretization error estimate to first-order accuracy. Discussions are made on how accurate truncation error estimates can be found for non-smooth test cases. / Doctor of Philosophy / For a general practical fluid flow problem, the governing equations can not be solved analytically. Computational Fluid Dynamics (CFD) approximates the governing equations by a set of algebraic equations that can be solved directly by the computer. Compared to experiments, CFD has certain advantages. The cost for running a CFD simulation is typically much lower than performing an experiment. Changing the conditions and geometry is usually easier for a CFD simulation than for an experiment. A CFD simulation can obtain information of the entire flow field for all field variables, which is nearly impossible for a single experiment setup. However, numerical errors are inherently persistent in CFD simulations due to the approximations made in CFD and finite precision arithmetic of the computer. Without proper characterization of errors, the accuracy of the CFD simulation can not be guaranteed. Numerical errors can even result in false flow features in the CFD solution. Thus, numerical errors need to be carefully studied so that the CFD simulation can provide useful information for the chosen application. The focus of this work is on numerical error estimation for the finite-volume method and the Discontinuous Galerkin (DG) finite-element method. In general, discretization error makes the most significant contribution to the numerical error of a CFD simulation. This work estimates discretization error by solving a set of auxiliary equations derived for the discretization error of a CFD solution. Accurate discretization error estimates are obtained for different test cases. The work on the finite-volume method focus on discretization error estimation for steady state turbulent test cases and unsteady test cases. To the best of the author's knowledge, the implementation of the current discretization error estimation scheme has only been applied as an intermediate step for the error estimation of functionals for the DG method in the literature. Results for steady-state inviscid test cases for the DG method are presented.

Computational fluid dynamics (CFD) has proven to be an invaluable tool for both engineering design and analysis. As the performance of engineering devices become more reliant upon the accuracy of CFD simulations, it is necessary to not only quantify and but also to reduce the numerical error present in a solution. Discretization error is often the primary source of numerical error. Discretization error is introduced locally into the solution by truncation error. Truncation error represents the higher order terms in an infinite series which are truncated during the discretization of the continuous governing equations of a model. Discretization error can be reduced through uniform grid refinement but is often impractical for typical engineering problems. Grid adaptation provides an efficient means for improving solution accuracy without the exponential increase in computational time associated with uniform grid refinement. Solution accuracy can be improved through local grid refinement, often referred to as h-adaptation, or by node relocation in the computational domain, often referred to as r-adaptation. The goal of this work is to examine the effectiveness of several r-adaptation techniques for reducing discretization error. A framework for geometry preservation is presented, and truncation error is used to drive adaptation. Sample problems include both subsonic and supersonic inviscid flows. Discretization error reductions of up to an order of magnitude are achieved on adapted grids. / Master of Science

The primary goal of the thesis is to provide some answers to the questions related to the key steps in the process of adaptive modeling of plates. Since the adaptivity depends on reliable error estimates, a large part of the thesis is related to the derivation of computational procedures for discretization error estimates as well as model error estimates. A practical comparison of some of the established discretization error estimates is made. Special attention is paid to what is called equilibrated residuum method, which has a potential to be used both for discretization error and model error estimates. It should be emphasized that the model error estimates are quite hard to obtain, in contrast to the discretization error estimates. The concept of model adaptivity for plates is in this work implemented on the basis of equilibrated residuum method and hierarchic family of plate finite element models.The finite elements used in the thesis range from thin plate finite elements to thick plate finite elements. The latter are based on a newly derived higher order plate theory, which includes through the thickness stretching. The model error is estimated by local element-wise computations. As all the finite elements, representing the chosen plate mathematical models, are re-derived in order to share the same interpolation bases, the difference between the local computations can be attributed mainly to the model error. This choice of finite elements enables effective computation of the model error estimate and improves the robustness of the adaptive modeling. Thus the discretization error can be computed by an independent procedure.Many numerical examples are provided as an illustration of performance of the derived plate elements, the derived discretization error procedures and the derived modeling error procedure. Since the basic goal of modeling in engineering is to produce an effective model, which will produce the most accurate results with the minimum input data, the need for the adaptive modeling will always be present. In this view, the present work is a contribution to the final goal of the finite element modeling of plate structures: a fully automatic adaptive procedure for the construction of an optimal computational model (an optimal finite element mesh and an optimal choice of a plate model for each element of the mesh) for a given plate structure.

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Effervescent atomization has been a topic of considerable investigation in the literature due to its important advantages over other atomization mechanisms. This work contributes to the development of both effervescent atomizers and also laser-based techniques for spray investigation In order to develop non-intrusive measurement techniques for spray applications, a procedure is suggested to characterize the shape of droplets using image-based droplet analyzers. Image discretization which is a major source of error in droplet shape measurement is evaluated using a simulation. The accuracy of StereoPIV system in conducting droplet velocity measurement in a spray field is also investigated. To assist in the design of effervescent atomizers, bubble formation during gas injection from a micro-tube into liquid cross-flow is investigated using a Shadow-PIV/PTV system. The generated spray fields of two effervescent atomizers which operate using a porous and a typical multi-hole air injector are compared using qualitative images and Shadow-PTV measurement.

Errors of computational simulations in design of a high-speed civil transport (HSCT) are investigated. First, discretization error from a supersonic panel code, WINGDES, is considered. Second, convergence error from a structural optimization procedure using GENESIS is considered along with the Rosenbrock test problem. A grid converge study is performed to estimate the order of the discretization error in the lift coefficient (CL) of the HSCT calculated from WINGDES. A response surface (RS) model using several mesh sizes is applied to reduce the noise magnification problem associated with the Richardson extrapolation. The RS model is shown to be more efficient than Richardson extrapolation via careful use of design of experiments. A programming error caused inaccurate optimization results for the Rosenbrock test function, while inadequate convergence criteria of the structural optimization produced error in wing structural weight of the HSCT. The Weibull distribution is successfully fit to the optimization errors of both problems. The probabilistic model enables us to estimate average errors without performing very accurate optimization runs that can be expensive, by using differences between two sets of results with different optimization control parameters such as initial design points or convergence criteria. Optimization results with large errors, outliers, produced inaccurate RS approximations. A robust regression technique, M-estimation implemented by iteratively reweighted least squares (IRLS), is used to identify the outliers, which are then repaired by higher fidelity optimizations. The IRLS procedure is applied to the results of the Rosenbrock test problem, and wing structural weight from the structural optimization of the HSCT. A nonsymmetric IRLS (NIRLS), utilizing one-sidedness of optimization errors, is more effective than IRLS in identifying outliers. Detection and repair of the outliers improve accuracy of the RS approximations. Finally, configuration optimizations of the HSCT are performed using the improved wing bending material weight RS models. / Ph. D.

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A detailed code verification study of an unstructured finite volume Computational Fluid Dynamics (CFD) code is performed. The Method of Manufactured Solutions is used to generate exact solutions for the Euler and Navier-Stokes equations to verify the correctness of the code through order of accuracy testing. The verification testing is performed on different mesh types which include triangular and quadrilateral elements in 2D and tetrahedral, prismatic, and hexahedral elements in 3D. The requirements of systematic mesh refinement are discussed, particularly in regards to unstructured meshes. Different code options verified include the baseline steady state governing equations, transport models, turbulence models, boundary conditions and unsteady flows. Coding mistakes, algorithm inconsistencies, and mesh quality sensitivities uncovered during the code verification are presented. In recent years, there has been significant work on the development of algorithms for the compressible Navier-Stokes equations on unstructured grids. One of the challenging tasks during the development of these algorithms is the formulation of consistent and accurate diffusion operators. The robustness and accuracy of diffusion operators depends on mesh quality. A survey of diffusion operators for compressible CFD solvers is conducted to understand different formulation procedures for diffusion fluxes. A patch-wise version of the Method of Manufactured Solutions is used to test the accuracy of selected diffusion operators. This testing of diffusion operators is limited to cell-centered finite volume methods which are formally second order accurate. These diffusion operators are tested and compared on different 2D mesh topologies to study the effect of mesh quality (stretching, aspect ratio, skewness, and curvature) on their numerical accuracy. Quantities examined include the numerical approximation errors and order of accuracy associated with face gradient reconstruction. From the analysis, defects in some of the numerical formulations are identified along with some robust and accurate diffusion operators. / Ph. D.

Computational Fluid Dynamics (CFD) applications usually involve intensive computations, which can be accelerated through using open accelerators, especially GPUs due to their common use in the scientific computing community. In addition to code acceleration, it is important to ensure that the code and algorithm are implemented numerically correctly, which is called code verification. This dissertation focuses on accelerating research CFD codes on multi-CPUs/GPUs using MPI and OpenACC, as well as the code verification for turbulence model implementation using the method of manufactured solutions and code-to-code comparisons. First, a variety of performance optimizations both agnostic and specific to applications and platforms are developed in order to 1) improve the heterogeneous CPU/GPU compute utilization; 2) improve the memory bandwidth to the main memory; 3) reduce communication overhead between the CPU host and the GPU accelerator; and 4) reduce the tedious manual tuning work for GPU scheduling. Both finite difference and finite volume CFD codes and multiple platforms with different architectures are utilized to evaluate the performance optimizations used. A maximum speedup of over 70 is achieved on 16 V100 GPUs over 16 Xeon E5-2680v4 CPUs for multi-block test cases. In addition, systematic studies of code verification are performed for a second-order accurate finite volume research CFD code. Cross-term sinusoidal manufactured solutions are applied to verify the Spalart-Allmaras and k-omega SST model implementation, both in 2D and 3D. This dissertation shows that the spatial and temporal schemes are implemented numerically correctly. / Doctor of Philosophy / Computational Fluid Dynamics (CFD) is a numerical method to solve fluid problems, which usually requires a large amount of computations. A large CFD problem can be decomposed into smaller sub-problems which are stored in discrete memory locations and accelerated by a large number of compute units. In addition to code acceleration, it is important to ensure that the code and algorithm are implemented correctly, which is called code verification. This dissertation focuses on the CFD code acceleration as well as the code verification for turbulence model implementation. In this dissertation, multiple Graphic Processing Units (GPUs) are utilized to accelerate two CFD codes, considering that the GPU has high computational power and high memory bandwidth. A variety of optimizations are developed and applied to improve the performance of CFD codes on different parallel computing systems. The program execution time can be reduced significantly especially when multiple GPUs are used. In addition, code-to-code comparisons with some NASA CFD codes and the method of manufactured solutions are utilized to verify the correctness of a research CFD code.