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At least 1,369 records · Page 76

A Nonlinear Programming Perspective on Sensitivity Calculations for Systems Governed by State Equations

This paper discusses the calculation of sensitivities. or derivatives, for optimization problems involving systems governed by differential equations and other state relations. The subject is examined from the point of view of nonlinear programming, beginning with the analytical structure of the first and second derivatives associated with such problems and the relation of these derivatives to implicit differentiation and equality constrained optimization. We also outline an error analysis of the analytical formulae and compare the results with similar results for finite-difference estimates of derivatives. We then attend to an investigation of the nature of the adjoint method and the adjoint equations and their relation to directions of steepest descent. We illustrate the points discussed with an optimization problem in which the variables are the coefficients in a differential operator.

Lewis, Robert Michael↗

Implicit Large-Eddy Simulations of Compressible Mixing Layers

Implicit large-eddy simulations of the self-similar regions of two compressible mixing layers at high Reynolds number and convective Mach numbers of 0.381 and 0.690 were carried out. Experimental data was used as the input into a synthetic eddy method turbulent inflow boundary condition to initiate simulations. Computational grids with nearly isotropic cells were used and the grid counts ranged from 24 to 270 million points. Agreement with experimental velocity and Reynolds stress data was good given the simplifications of the simulation. The decrease in mixing layer growth rate with increasing compressibility compares well with the literature. Budgets for the Reynolds stress transport equation were extracted from the simulations. It was demonstrated that the grids used did not resolve the dissipation term at the experimental Reynolds number. However, low Reynolds number simulations indicate that the numerical dissipation replaces the physical dissipation and the dissipation term in the transport equation can be represented by the summation term that quantifies the imbalance in the budget. The budgets for the high Reynolds number mixing layers agree well with previous low Reynolds number studies; indicating that the primary mechanism for the reduced growth rate and increased anistropy of the Reynolds stress tensor due to compressibility is a reduction in the pressure-strain and production terms. A new scaling based on the magnitude of the Reynolds stress tensor is proposed. This scaling provides better relative comparisons between the data and shows that the decrease in pressure-strain in the shear component is the primary driver in reducing the transverse normal stress.

turbulence↗

A high-order finite difference method for moving immersed domain boundaries and material interfaces

Here, we present a high-order sharp treatment of immersed moving domain boundaries and material interfaces, and apply it to the advection-diffusion equation in two and three dimensions. The spatial discretization combines dimension-split finite difference schemes with an immersed boundary treatment based on a weighted least-squares reconstruction of the solution, providing stable discretizations with up to sixth order accuracy for diffusion terms and third order accuracy for advection terms. The temporal discretization relies on a novel strategy for maintaining high-order temporal accuracy in problems with moving boundaries that minimizes implementation complexity and allows arbitrary explicit or diagonally-implicit Runge-Kutta schemes. The approach is broadly compatible with popular PDE-specialized Runge-Kutta time integrators, including low-storage, strong stability preserving, and diagonally implicit schemes. Through numerical experiments we demonstrate that the full discretization maintains high-order spatial and temporal accuracy in the presence of complex 3D geometries and for a range of boundary conditions, including Dirichlet, Neumann, and flux conditions with large jumps in coefficients.

97 MATHEMATICS AND COMPUTING↗

Linear and Nonlinear Solvers for Simulating Multiphase Flow within Large-Scale Engineered Subsurface Systems

Simulation of multiphase flow in the subsurface is well-known to be computationally challenging. While there have been many studies that have explored approaches to overcoming these challenges, they often utilize relatively simple case studies. In this paper, we focus on the unique numerical challenges posed by modeling large-scale engineered subsurface systems, characterized by discrete features embedded in a heterogeneous natural subsurface setting. The man-made features such as shafts, tunnels, and barriers often cause multiple challenges in modeling the domain for multiphase porous media flow. This flow scenario can have a wide range of applications such as nuclear waste repositories, enhanced recovery of a petroleum reservoir, geothermal engineering, and carbon sequestration. An example of these severe numerical challenges is the case of performance assessment (PA) for Waste Isolation Pilot Plant (WIPP), the only operating deep geological repository in the US, which simulates extreme material properties of bedded salt rock formation and extreme contrast due to open excavation next to the formation. The models have extremes not only of permeability and porosity but also of the constitutive models needed for multiphase flow; additionally, they have process models like salt creep closure reducing porosity over time, fracturing in clay and anhydrite interbeds of the bedded salt, gas generation from the waste materials, and unintentional human borehole intrusions in some scenarios. Numerical simulations require the solution of coupled systems of nonlinear PDEs; in our work, we use the open-source simulator PFLOTRAN which is based on Finite Volume discretization. The solution of the nonlinear equations requires use of the Newton-Raphson iteration at each time step, which entails the solution of the linearized Jacobian system at each iteration. The effects of all the processes (i.e., large number of unknowns, highly nonlinear constitutive relations, large contrasts in material properties in short distances) lead to an ill-conditioned Jacobian matrix that severely challenges traditional linear solver, i.e., stabilized biconjugate gradient with block Jacobi incomplete LU preconditioner (BCGS-ILU) leading to non-convergence for traditional Newton-Raphson nonlinear solver causing unacceptably long computation time for each model. This paper presents linear solvers such as constrained pressure residual (CPR) two-stage preconditioner with alternate-block-factorization (ABF) and quasi- implicit pressure and explicit saturation (QIMPES) decouplers and flexible generalized residual solver (FGMRES). The new general-purpose nonlinear solver, Newton trust-region dogleg Cauchy (NTRDC), is also introduced to resolve extreme nonlinearities in the models. We demonstrate the effectiveness of each method relative to the default BCGS-Newton solver. The two best cases had nearly 50 times speed-up and achieved completion of a simulation in 14 hours that never completed due to non-convergence with the default solver. We also investigate the strong scalability of each method and discuss some of the deficiencies found for Block Jacobi preconditioner using parallel domain decomposition, and node packing effects of modern processor architecture.

Preconditioner, Nonlinear, Porous media, Multiphas↗

Multi-frequency General Relativistic Radiation-hydrodynamics with M 1 Closure

We report on recent upgrades to our general relativistic radiation-magnetohydrodynamics code, Cosmos++ , which expands the two-moment, M 1 , radiation treatment from gray to multi-frequency transport, including Doppler and gravitational frequency shifts. The solver accommodates either photon (Bose–Einstein) or neutrino (Fermi–Dirac) statistical distribution functions with absorption, emission, and elastic scattering processes. An implicit scheme is implemented to simultaneously solve the primitive inversion problem together with the radiation–matter coupling source terms, providing stability over a broad range of opacities and optical depths where the interaction terms can be stiff. We discuss our formulations and numerical methods, and validate our methods against a wide variety of test problems spanning optically thin to thick regimes in flat, weakly curved, and strongly curved spacetimes.

79 ASTRONOMY AND ASTROPHYSICS↗

On the performance of explicit and implicit algorithms for transient thermal analysis

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit and implicit algorithms are discussed. A promising set of implicit algorithms, known as the GEAR package is described. Four test problems, used for evaluating and comparing various algorithms, have been selected and finite element models of the configurations are discribed. These problems include a space shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system and a model of the space shuttle orbiter wing. Calculations were carried out using the SPAR finite element program, the MITAS lumped parameter program and a special purpose finite element program incorporating the GEAR algorithms. Results generally indicate a preference for implicit over explicit algorithms for solution of transient structural heat transfer problems when the governing equations are stiff. Careful attention to modeling detail such as avoiding thin or short high-conducting elements can sometimes reduce the stiffness to the extent that explicit methods become advantageous.

Adelman, H. M.↗

Construction of explicit and implicit symmetric TVD schemes and their applications

A one-parameter family of explicit and implicit total variation diminishing (TVD) schemes is developed which permits incorporation of an expanded group of slope and flux limiters. The numerical technique is intended for use in calculations which include a time-differencing scheme and an optional Lax-Wendroff scheme. Methods of extending the TVD models to nonlinear scalar equations and systems of hyperbolic conservation equations are described. Sample results are presented from calculations of shocked flows around NACA 0012 and NACA 0018 airfoils.

Yee, H. C.↗

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

Yungster, Shaye↗

Numerical study of shock-wave/boundary layer interactions in premixed hydrogen-air hypersonic flows

A computational study of shock wave/boundary layer interactions involving premixed combustible gases, and the resulting combustion processes is presented. The analysis is carried out using a new fully implicit, total variation diminishing (TVD) code developed for solving the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. To accelerate the convergence of the basic iterative procedure, this code is combined with vector extrapolation methods. The chemical nonequilibrium processes are simulated by means of a finite-rate chemistry model for hydrogen-air combustion. Several validation test cases are presented and the results compared with experimental data or with other computational results. The code is then applied to study shock wave/boundary layer interactions in a ram accelerator configuration. Results indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outwards and downstream. At higher Mach numbers, spontaneous ignition in part of the boundary layer is observed, which eventually extends along the entire boundary layer at still higher values of the Mach number.

Yungster, Shaye↗

Computational technology for flight vehicles; Proceedings of the Symposium on Computational Technology on Flight Vehicles, Washington, DC, Nov. 5-7, 1990

The present conference on computational methods for aeronautics applications discusses topics in the fields of parallel computing, multidisciplinary computational methods, grid generation, visualization methods for CFD, probabilistic modeling, numerical simulations and methodologies for different flow regimes, computational strategies and adaptive methods in CFD, and computational strategies and dynamics and control. Attention is given to the MACH system-software kernel, a multidisciplinary approach to aeroelastic analysis, interactive grid generation with control points, interactive flow visualization using stream surfaces, numerical simulations of dynamic/aerodynamic interactions, implicit mathods for the Navier-Stokes equations, and the automatic phase-space analysis of dynamical systems.

Noor, Ahmed K.↗

Visualization of Unsteady Computational Fluid Dynamics

The current compute environment that most researchers are using for the calculation of 3D unsteady Computational Fluid Dynamic (CFD) results is a super-computer class machine. The Massively Parallel Processors (MPP's) such as the 160 node IBM SP2 at NAS and clusters of workstations acting as a single MPP (like NAS's SGI Power-Challenge array and the J90 cluster) provide the required computation bandwidth for CFD calculations of transient problems. If we follow the traditional computational analysis steps for CFD (and we wish to construct an interactive visualizer) we need to be aware of the following: (1) Disk space requirements. A single snap-shot must contain at least the values (primitive variables) stored at the appropriate locations within the mesh. For most simple 3D Euler solvers that means 5 floating point words. Navier-Stokes solutions with turbulence models may contain 7 state-variables. (2) Disk speed vs. Computational speeds. The time required to read the complete solution of a saved time frame from disk is now longer than the compute time for a set number of iterations from an explicit solver. Depending, on the hardware and solver an iteration of an implicit code may also take less time than reading the solution from disk. If one examines the performance improvements in the last decade or two, it is easy to see that depending on disk performance (vs. CPU improvement) may not be the best method for enhancing interactivity. (3) Cluster and Parallel Machine I/O problems. Disk access time is much worse within current parallel machines and cluster of workstations that are acting in concert to solve a single problem. In this case we are not trying to read the volume of data, but are running the solver and the solver outputs the solution. These traditional network interfaces must be used for the file system. (4) Numerics of particle traces. Most visualization tools can work upon a single snap shot of the data but some visualization tools for transient problems require dealing with time.

Haimes, Robert↗

Coronal Diagnostics

Ultraviolet emission line ratios have long provided powerful diagnostics for the density, temperature, elemental abundances and ionization state of astrophysical plasmas. With the current generation of X-ray satellites, these techniques can be applied to X-ray spectra. It is important to remember that, any such line ratio provides an average value along the line of sight, and different diagnostics will provide differently weighted averages. Several assumptions are often made implicitly when emission line ratios are analysed. In particular the optical depth is generally assumed to be negligible. This paper considers some examples of the opportunities provided by photon scattering for new diagnostic tools, and it considers the dangers of applying the standard methods when the optical depth is significant.

Raymond, J. C.↗

High Order Implicit Residual-Based Spatial Discretization Error Estimation for S N Neutron Transport

This work demonstrates our novel residual source spatial discretization error estimator (LeR/TEAD) for a DGFEM-1 discretization and assesses it along with two contemporary estimators, Ragusa and Wang's h -refinement estimator (RW) and Duo, Azmy, and Zikatanov's explicit residual-based estimator (DAZ), on a suite of Method of Manufactured Solutions (MMS) 2D problems and three realistic problem geometries. LeR/TE-AD is attractive because it directly estimates the local error in the angular flux, as opposed to a mere indicator of the error's behavior, on the same mesh and method order as the original numerical solution, thus typically being less computationally intensive than a refinement-based method. On the MMS suite, LeR/TE-AD consistently displayed a reduced performance versus its DGFEM-0 results in terms of accuracy and precision metrics, though it was not typically grossly inaccurate. This is attributed to the irregularities in the true solution across singular characteristics limiting the local accuracy of the numerical flux solution, leading to poor derivative approximations used in the residual approximations. The error transport problem then spreads the error in the residual to nearby cells, causing a greater degree of imprecision that did not afflict DAZ or RW. In testing the estimators on realistic problem geometries, however, LeR/TE-AD fared better. In practice, the true error is much larger in non-idealized geometries like in MMS, and a superlinear true solution means that RW and DAZ are not beneficially biased for DGFEM-1 error estimation. LeR/TE-AD was typically first or second in accuracy, primarily competing with RW, but the latter usually consumed 2-4 times the computational time as LeR/TE-AD, and requires a solution with four times as many unknowns. Furthermore, RW and LeR/TE-AD can be used to compute direct estimates of the error in any quantity of interest that is based on the angular ux solution, such as the fission rate density in a fuel pin, whereas DAZ requires a heuristic extension due to its norm-based nature.

97 MATHEMATICS AND COMPUTING↗

Flux vector splitting of the inviscid equations with application to finite difference methods

The conservation-law form of the inviscid gasdynamic equations has the remarkable property that the nonlinear flux vectors are homogeneous functions of degree one. This property readily permits the splitting of flux vectors into subvectors by similarity transformations so that each subvector has associated with it a specified eigenvalue spectrum. As a consequence of flux vector splitting, new explicit and implicit dissipative finite-difference schemes are developed for first-order hyperbolic systems of equations. Appropriate one-sided spatial differences for each split flux vector are used throughout the computational field even if the flow is locally subsonic. The results of some preliminary numerical computations are included.

Steger, J. L.↗

Flux vector splitting of the inviscid gasdynamic equations with application to finite-difference methods

The conservation-law form of the inviscid gasdynamic equations has the remarkable property that the nonlinear flux vectors are homogeneous functions of degree one. This property readily permits the splitting of flux vectors into subvectors by similarity transformations so that each subvector has associated with it a specified eigenvalue spectrum. As a consequence of flux vector splitting, new explicit and implicit dissipative finite-difference schemes are developed for first-order hyperbolic systems of equations. Appropriate one-sided spatial differences for each split flux vector are used throughout the computational field even if the flow is locally subsonic. The results of some preliminary numerical computations are included.

Steger, J. L.↗

Study of shock-induced combustion using an implicit TVD scheme

The supersonic combustion flowfields associated with various hypersonic propulsion systems, such as the ram accelerator, the oblique detonation wave engine, and the scramjet, are being investigated using a new computational fluid dynamics (CFD) code. The code solves the fully coupled Reynolds-averaged Navier-Stokes equations and species continuity equations in an efficient manner. It employs an iterative method and a second order differencing scheme to improve computational efficiency. The code is currently being applied to study shock wave/boundary layer interactions in premixed combustible gases, and to investigate the ram accelerator concept. Results obtained for a ram accelerator configuration indicate a new combustion mechanism in which a shock wave induces combustion in the boundary layer, which then propagates outward and downstream. The combustion process creates a high pressure region over the back of the projectile resulting in a net positive thrust forward.

Yungster, Shayne↗

On Bayesian Inductive Inference & Predictive Estimation

We investigate Bayesian inference and the Principle of Maximum Entropy (PME) as methods for doing inference under uncertainty. This investigation is primarily through concrete examples that have been previously investigated in the literature. We find that it is possible to do Bayesian inference and PME inference using the same information, despite claims to the contrary, but that the results are not directly comparable. This is because Bayesian inference yields a probability density function (pdf) over the unknown model parameters, whereas PME yields point estimates. If mean estimates are extracted from the Bayesian pdfs, the resulting parameter estimates can differ radically from the PME values and also from the Maximum Likelihood values. We conclude that these differences are due to the Bayesian inference not assuming anything beyond the given prior probabilities and the data, whereas PME implicitly assumes that the given constraints are the only constraints that are operating. Since this assumption can be wrong, PME values may have to be revised when subsequent data shows evidence for more constraints. The entropy concentration previously "proved" by E. T. Jaynes is shown to be in error. Further, we show that PME is a generalized form of independence assumption, and so can be a very powerful method of inference when the variables being investigated are largely independent of each other.

Cheeseman, Peter↗

Application of second-order-accurate Total Variation Diminishing (TVD) schemes to the Euler equations in general geometries

A one-parameter family of explicit and implicit second-order-accurate, entropy satisfying, total variation diminishing (TVD) schemes was developed by Harten. These TVD schemes were the property of not generating spurious oscillations for one-dimensional nonlinear scalar hyperbolic conservation laws and constant coefficient hyperbolic systems. Application of these methods to one- and two-dimensional fluid flows containing shocks (in Cartesian coordinates) yields highly accurate nonoscillatory numerical solutions. The goal of this work is to expand these methods to the multidimensional Euler equations in generalized coordinate systems. Some numerical results of shock waves impinging on cylindrical bodies are compared with MacCormack's method.

Yee, H. C.↗