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Essentially nonoscillatory postprocessing filtering methods

High order accurate centered flux approximations used in the computation of numerical solutions to nonlinear partial differential equations produce large oscillations in regions of sharp transitions. Here, we present a new class of filtering methods denoted by Essentially Nonoscillatory Least Squares (ENOLS), which constructs an upgraded filtered solution that is close to the physically correct weak solution of the original evolution equation. Our method relies on the evaluation of a least squares polynomial approximation to oscillatory data using a set of points which is determined via the ENO network. Numerical results are given in one and two space dimensions for both scalar and systems of hyperbolic conservation laws. Computational running time, efficiency, and robustness of method are illustrated in various examples such as Riemann initial data for both Burgers' and Euler's equations of gas dynamics. In all standard cases, the filtered solution appears to converge numerically to the correct solution of the original problem. Some interesting results based on nonstandard central difference schemes, which exactly preserve entropy, and have been recently shown generally not to be weakly convergent to a solution of the conservation law, are also obtained using our filters.

Lafon, F.↗

Performance analysis of three dimensional integral equation computations on a massively parallel computer

The purpose of this study is to investigate the performance of the integral equation computations using numerical source field-panel method in a massively parallel processing (MPP) environment. A comparative study of computational performance of the MPP CM-5 computer and conventional Cray-YMP supercomputer for a three-dimensional flow problem is made. A serial FORTRAN code is converted into a parallel CM-FORTRAN code. Some performance results are obtained on CM-5 with 32, 62, 128 nodes along with those on Cray-YMP with a single processor. The comparison of the performance indicates that the parallel CM-FORTRAN code near or out-performs the equivalent serial FORTRAN code for some cases.

Logan, Terry G.↗

Development and application of unified algorithms for problems in computational science

A framework is presented for developing computationally unified numerical algorithms for solving nonlinear equations that arise in modeling various problems in mathematical physics. The concept of computational unification is an attempt to encompass efficient solution procedures for computing various nonlinear phenomena that may occur in a given problem. For example, in Computational Fluid Dynamics (CFD), a unified algorithm will be one that allows for solutions to subsonic (elliptic), transonic (mixed elliptic-hyperbolic), and supersonic (hyperbolic) flows for both steady and unsteady problems. The objectives are: development of superior unified algorithms emphasizing accuracy and efficiency aspects; development of codes based on selected algorithms leading to validation; application of mature codes to realistic problems; and extension/application of CFD-based algorithms to problems in other areas of mathematical physics. The ultimate objective is to achieve integration of multidisciplinary technologies to enhance synergism in the design process through computational simulation. Specific unified algorithms for a hierarchy of gas dynamics equations and their applications to two other areas: electromagnetic scattering, and laser-materials interaction accounting for melting.

Shankar, Vijaya↗

Newton algorithm for fitting transfer functions to frequency response measurements

In this paper the problem of synthesizing transfer functions from frequency response measurements is considered. Given a complex vector representing the measured frequency response of a physical system, a transfer function of specified order is determined that minimizes the sum of the magnitude-squared of the frequency response errors. This nonlinear least squares minimization problem is solved by an iterative global descent algorithm of the Newton type that converges quadratically near the minimum. The unknown transfer function is expressed as a sum of second-order rational polynomials, a parameterization that facilitates a numerically robust computer implementation. The algorithm is developed for single-input, single-output, causal, stable transfer functions. Two numerical examples demonstrate the effectiveness of the algorithm.

Spanos, J. T.↗

Resolution requirements for high-speed droplet impact along a rigid wall

The mechanical and thermal loads that are produced on high-speed projectiles from a droplet are key in the projectile development.To accurately predict the pressure produced along the wall surface during impact, it is important to correctly model the air/water interface of the droplet. Novel modeling approaches such as the Phase-Field enable control of the (numerical) interface thickness. However, the interplay between the grid resolution (including potential adaptive mesh refinement) and the interface thickness is unclear. In this work, the resolution requirements for numerical simulations of a two-dimensional cylindrical water droplet impacting a rigid wall at Mach four are computationally investigated. Numerical simulations are performed using a second-order accurate scheme with adaptive mesh refinement and a Phase-Field interface model. The choice of numerical interface thickness and resolution parameters affects the maximum pressure and location of the maximum pressure along the wall. The overall maximum pressure does not converge even at high resolutions. The number of levels and thickness (number of cells across the interface) play a role in obtaining a well behaved solution.

Burrell, E.↗

Quantum Solver Using Singular Value Decomposition for Computational Fluid Dynamics

Numerical solutions for fluid flow problems are challenging and have been focus of Computational Fluid Dynamics (CFD) research for past several decades. The advent of quantum computing promises exponential speedup in comparison to existing classical methods and alleviate computational constraints posed by CFD problems. Although solutions for most problems of interest in fluid dynamics using quantum computing are distant, recent advances in algorithms, software and hardware provide a path towards realizing this goal. Quantum linear solver algorithms (QLSA) such as Harrow–Hassidim–Lloyd (HHL) and Variational Quantum Linear Solver (VQLS) have been successfully implemented to solve for canonical problems such as Hele-Shaw flow. However, these algorithms still suffer to scale and address problems with ill-conditioned Jacobians. In the current paper, we alleviate these restrictions with a new quantum solver based on Singular Value Decomposition (SVD) and simulate flow past a 2D cylinder. The fidelity of the SVD based quantum solver in predicting the flow past 2D cylinder is computed along with an assessment of errors. Classical and quantum solutions for the flow are compared for different resolutions. Finally, we discuss variation in the solutions based on number of shots used.

Gottiparthi, Kalyan [ORNL] (ORCID:0000000213540255↗

Programs for computing abscissas and weights for classical and nonclassical Gaussian quadrature formulas

Computer programs for computing Gaussian quadrature abscissas and weights are described. For the classical case the programs use Laguerre iteration to compute abscissas as zeros of orthogonal polynomials. The polynomials are evaluated from known recursion coefficients. The nonclassical case is handled similarly except that the recursion coefficients are computed by numerical integration. A sample problem, with input and output, is presented to illustrate the use of the programs. It computes the quadrature abscissas and weights associated with the weight function over the interval (0,1) for quadrature orders from 16 to 96 in increments of 8.

Desmarais, R. N.↗

Cumulative reports and publications through December 31, 1989

A complete list of reports from the Institute for Computer Applications in Science and Engineering (ICASE) is presented. The major categories of the current ICASE research program are: numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; control and parameter identification problems, with emphasis on effectual numerical methods; computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, structural analysis, and chemistry; computer systems and software, especially vector and parallel computers, microcomputers, and data management. Since ICASE reports are intended to be preprints of articles that will appear in journals or conference proceedings, the published reference is included when it is available.

Source record↗

The sound of moving bodies

The importance of the quadrupole source term in the Ffowcs, Williams, and Hawkings (FWH) equation was addressed. The quadrupole source contains fundamental components of the complete fluid mechanics problem, which are ignored only at the risk of error. The results made it clear that any application of the acoustic analogy should begin with all of the source terms in the FWH theory. The direct calculation of the acoustic field as part of the complete unsteady fluid mechanics problem using CFD is considered. It was shown that aeroelastic calculation can indeed be made with CFD codes. The results indicate that the acoustic field is the most susceptible component of the computation to numerical error. Therefore, the ability to measure the damping of acoustic waves is absolutely essential both to develop acoustic computations. Essential groundwork for a new approach to the problem of sound generation by moving bodies is presented. This new computational acoustic approach holds the promise of solving many problems hitherto pushed aside.

Brentner, Kenneth Steven↗

Parallel Computation for Natural Convection in Cavities

Parallel computation for thermal convective flows in cavities with adiabatic horizontal boundaries and driven by differential heating of the two vertical end walls, is investigated using supercomputers. A parallel computation code has been implemented using a finite-difference method with a multigrid elliptic solver and a Dufort-Frankel scheme. The domain decomposition techniques are discussed in detail. The parallel code is numerically stable, computationally efficient, and portable to various parallel architectures which support either PVM or NX libraries for communications. Finally, numerical results for various Rayleigh numbers and Prandtl numbers are presented.

convection simulation parallel computation↗

Experiments and code validation for juncture flows

The turbulent flow around a juncture formed by an unswept wing and a flat plate has been experimentally studied, and the effectiveness of modifications near the wing leading edge in controlling the juncture flow field has been evaluated. The results are compared with numerical solutions of the incompressible Reynolds-averaged Navier-Stokes equations. The Baldwin-Lomax turbulence model is used in the computations. The numerical code is very time efficient, and it predicts the flow behavior well, including the detection of leading-edge vortex formation. It tends to over-predict the boundary layer thickness and the location of the vortex. Both the experiment and computations indicate that the leading edge flow separation is eliminated by the use of a leading-edge fillet designed in this study, resulting in drag reduction.

Kubendran, L. R.↗

Precessional quantities for the Earth over 10 Myr

The insolation parameters of the Earth depend on its orbital parameters and on the precession and obliquity. Until 1988, the usually adopted solution for paleoclimate computation consisted in (Bretagnon, 1974) for the orbital elements of the Earth, which was completed by (Berger, 1976) for the computation of the precession and obliquity of the Earth. In 1988, I issued a solution for the orbital elements of the Earth, which was obtained in a new manner, gathering huge analytical computations and numerical integration (Laskar, 1988). In this solution, which will be denoted La88, the precession and obliquity quantities necessary for paleoclimate computations were integrated at the same time, which insure good consistency of the solutions. Unfortunately, due to various factors, this latter solution for the precession and obliquity was not widely distributed (Berger, Loutre, Laskar, 1988). On the other side, the orbital part of the solution La88 for the Earth, was used in (Berger and Loutre, 1991) to derive another solution for precession and obliquity, aimed to climate computations. I also issued a new solution (La90) which presents some slight improvements with respect to the previous one (Laskar, 1990). As previously, this solution contains orbital, precessional, and obliquity variables. The main features of this new solution are discussed.

Laskar, Jacques↗

Application of a viscous-inviscid interaction procedure to predict separated flows with heat transfer

A viscous-inviscid interaction procedure is described for predicting heat transfer in separated flows. The separating flow in a rearward-facing step/asymmetric channel expansion is considered. For viscous regions, the boundary-layer momentum and continuity equations are solved inversely in a coupled manner by a finite-difference numerical scheme. The streamwise convective term is altered to permit marching the solution through regions of reversed flow. The inviscid flow is computed by numerically solving the Laplace equation for stream-function in the region bounded by the displacement surfaces used in the inverse boundary-layer solution. The viscous and inviscid solutions are repeated iteratively until the edge velocities obtained from both solutions are in agreement. Predictions using this method compare favorably with experimental data and other predictions.

Hall, E. J.↗

2D-FFTLog: efficient computation of real-space covariance matrices for galaxy clustering and weak lensing

ABSTRACT Accurate covariance matrices for two-point functions are critical for inferring cosmological parameters in likelihood analyses of large-scale structure surveys. Among various approaches to obtaining the covariance, analytic computation is much faster and less noisy than estimation from data or simulations. However, the transform of covariances from Fourier space to real space involves integrals with two Bessel integrals, which are numerically slow and easily affected by numerical uncertainties. Inaccurate covariances may lead to significant errors in the inference of the cosmological parameters. In this paper, we introduce a 2D-FFTLog algorithm for efficient, accurate, and numerically stable computation of non-Gaussian real-space covariances for both 3D and projected statistics. The 2D-FFTLog algorithm is easily extended to perform real-space bin-averaging. We apply the algorithm to the covariances for galaxy clustering and weak lensing for a Dark Energy Survey Year 3-like and a Rubin Observatory’s Legacy Survey of Space and Time Year 1-like survey, and demonstrate that for both surveys, our algorithm can produce numerically stable angular bin-averaged covariances with the flat sky approximation, which are sufficiently accurate for inferring cosmological parameters. The code CosmoCov for computing the real-space covariances with or without the flat-sky approximation is released along with this paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Assessment of numerical techniques for unsteady flow calculations

The characteristics of unsteady flow motions have long been a serious concern in the study of various fluid dynamic and combustion problems. With the advancement of computer resources, numerical approaches to these problems appear to be feasible. The objective of this paper is to assess the accuracy of several numerical schemes for unsteady flow calculations. In the present study, Fourier error analysis is performed for various numerical schemes based on a two-dimensional wave equation. Four methods sieved from the error analysis are then adopted for further assessment. Model problems include unsteady quasi-one-dimensional inviscid flows, two-dimensional wave propagations, and unsteady two-dimensional inviscid flows. According to the comparison between numerical and exact solutions, although second-order upwind scheme captures the unsteady flow and wave motions quite well, it is relatively more dissipative than sixth-order central difference scheme. Among various numerical approaches tested in this paper, the best performed one is Runge-Kutta method for time integration and six-order central difference for spatial discretization.

Hsieh, Kwang-Chung↗

Automatic Differentiation of C++ Codes on Emerging Manycore Architectures with Sacado

Automatic differentiation (AD) is a well-known technique for evaluating analytic derivatives of calculations implemented on a computer, with numerous software tools available for incorporating AD technology into complex applications. However, a growing challenge for AD is the efficient differentiation of parallel computations implemented on emerging manycore computing architectures such as multicore CPUs, GPUs, and accelerators as these devices become more pervasive. In this work, we explore forward mode, operator overloading-based differentiation of C++ codes on these architectures using the widely available Sacado AD software package. In particular, we leverage Kokkos, a C++ tool providing APIs for implementing parallel computations that is portable to a wide variety of emerging architectures. Here we describe the challenges that arise when differentiating code for these architectures using Kokkos, and two approaches for overcoming them that ensure optimal memory access patterns as well as expose additional dimensions of fine-grained parallelism in the derivative calculation. We describe the results of several computational experiments that demonstrate the performance of the approach on a few contemporary CPU and GPU architectures. We then conclude with applications of these techniques to the simulation of discretized systems of partial differential equations.

97 MATHEMATICS AND COMPUTING↗

Numerical Investigation of the Spark Discharge Process in a Crossflow

The present study numerically investigates the spark discharge process under crossflow conditions using a thermal equilibrium plasma solver that fully couples the electromagnetic physics and fluid dynamics in a computational framework. Numerical results are validated by the comparison with experimental data. Here, the spark discharge experiment is performed in a constant volume vessel using an inductive coil ignition system for automotive applications, and the evolution of the spark channel is measured using high-speed imaging. The crossflow in the gap between the spark-plug electrodes is generated by a rotating fan with two different fan speeds, and the flow velocity across the gap is characterized by particle image velocimetry (PIV) measurement. A computational fluid dynamics (CFD) solver is employed to simulate the crossflow and provide the flow field variables (velocity, pressure, temperature) to the plasma solver. The crossflow velocity predicted in the flow simulation agrees well with the PIV data in that the non-uniform velocity profiles at monitoring points are reproduced by the CFD code. With the crossflow initialization in the plasma solver, the simulated spark discharge process from the breakdown to spark discharge matches the experimental data, including the voltage and circuit waveforms and the high-speed images of the spark channel evolution. The stretch of spark channel captured by plasma simulations agrees with the measured data. The plasma simulation reveals that the mean temperature of the spark channel is maintained at 5000 K during the discharge phase, and the temperature varies along the spark channel so that the highest value is obtained at the spark root on the center electrode. Overall, the results presented in this paper are meant to provide valuable information about the properties of the plasma generated by the spark discharge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computational Aeroacoustic Analysis System Development

Many industrial and commercial products operate in a dynamic flow environment and the aerodynamically generated noise has become a very important factor in the design of these products. In light of the importance in characterizing this dynamic environment, Rocketdyne has initiated a multiyear effort to develop an advanced general-purpose Computational Aeroacoustic Analysis System (CAAS) to address these issues. This system will provide a high fidelity predictive capability for aeroacoustic design and analysis. The numerical platform is able to provide high temporal and spatial accuracy that is required for aeroacoustic calculations through the development of a high order spectral element numerical algorithm. The analysis system is integrated with well-established CAE tools, such as a graphical user interface (GUI) through PATRAN, to provide cost-effective access to all of the necessary tools. These include preprocessing (geometry import, grid generation and boundary condition specification), code set up (problem specification, user parameter definition, etc.), and postprocessing. The purpose of the present paper is to assess the feasibility of such a system and to demonstrate the efficiency and accuracy of the numerical algorithm through numerical examples. Computations of vortex shedding noise were carried out in the context of a two-dimensional low Mach number turbulent flow past a square cylinder. The computational aeroacoustic approach that is used in CAAS relies on coupling a base flow solver to the acoustic solver throughout a computational cycle. The unsteady fluid motion, which is responsible for both the generation and propagation of acoustic waves, is calculated using a high order flow solver. The results of the flow field are then passed to the acoustic solver through an interpolator to map the field values into the acoustic grid. The acoustic field, which is governed by the linearized Euler equations, is then calculated using the flow results computed from the flow solver.

Hadid, A.↗