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NASA NTRS2022

Finite Difference Methods for Turbulence Simulations

The optimal finite difference discretization used in simulations of turbulent flows is influenced by both, the type of the scale resolving simulation (DNS or LES), as well as the flow-physics (hydrodynamic instabilities, shocks, acoustics, etc.) one expects to resolve. Insight into dispersion and dissipation error requirements for some common scale-resolving simulation scenarios help to highlight the issues faced in selecting a scheme.

Finite Difference Methods↗

NASA NTRS1976

Polynominal Interpolation Methods for Viscous Flow Calculations

Higher-order collocation procedures resulting in tridiagonal matrix systems are derived from polynomial spline interpolation and by Hermitian (Taylor series) finite-difference discretization. The similarities and special features of these different developments are discussed. The governing systems apply for both uniform and variable meshes. Hybrid schemes resulting from two different polynomial approximations for the first and second derivatives lead to a nonuniform mesh extension of the so-called compact or Pad? difference technique (Hermite 4). A variety of fourth-order methods are described and the Hermitian approach is extended to sixth-order (Hermite 6). The appropriate spline boundary conditions are derived for all procedures. For central finite differences, this leads to a two-point, second-order accurate generalization of the commonly used three-point end-difference formula. Solutions with several spline and Hermite procedures are presented for the boundary layer equations, with and without mass transfer, and for the incompressible viscous flow in a driven cavity. Divergence and nondivergence equations are considered for the cavity. Among the fourth-order techniques, it is shown that spline 4 has the smallest truncation error. The spline 4 procedure generally requires one-quarter the number of mesh points in a given coordinate direction as a central finite-difference calculation of equal accuracy. The Hermite 6 procedure leads to remarkably accurate boundary layer solutions.

Rubin, S. G.↗

DOE OSTI2025

Quantum dynamics simulation of the advection-diffusion equation

The advection-diffusion equation is simulated via several quantum algorithms. Three formulations are considered: (1) Trotterization, (2) variational quantum time evolution (VarQTE), and (3) adaptive variational quantum dynamics simulation (AVQDS). These schemes were originally developed for the Hamiltonian simulation of many-body quantum systems. The finite-difference discretized operator of the transport equation is formulated as a Hamiltonian and solved without the need for ancillary qubits. Computations are conducted on a quantum simulator (IBM Qiskit Aer) and a superconducting quantum hardware (IBM Fez). The former emulates the latter without the noise. The actual hardware implementation experiences significant noise. The results of the quantum simulator are compared with data from direct numerical simulation (DNS) with infidelities of the order 10 −5 . In the quantum simulator, Trotterization is observed to have the lowest infidelity and is suitable for fault-tolerant computation. The AVQDS algorithm requires the lowest gate count and circuit depth. The VarQTE algorithm is the next best in terms of gate counts, but the number of its optimization variables is directly proportional to the number of qubits. Due to current hardware limitations, Trotterization cannot be implemented, as it has an overwhelmingly large number of operations. Meanwhile, AVQDS and VarQTE can be executed at the hardware level. These algorithms present a new paradigm for computational transport phenomena on quantum computers.

Alipanah, Hirad [Univ. of Pittsburgh, PA (United S↗

DOE OSTI2022

A Statistical Interpolation Code for Ocean Analysis and Forecasting

Abstract We present a data assimilation package for use with ocean circulation models in analysis, forecasting, and system evaluation applications. The basic functionality of the package is centered on a multivariate linear statistical estimation for a given predicted/background ocean state, observations, and error statistics. Novel features of the package include support for multiple covariance models, and the solution of the least squares normal equations either using the covariance matrix or its inverse—the information matrix. The main focus of this paper, however, is on the solution of the analysis equations using the information matrix, which offers several advantages for solving large problems efficiently. Details of the parameterization of the inverse covariance using Markov random fields are provided and its relationship to finite-difference discretizations of diffusion equations are pointed out. The package can assimilate a variety of observation types from both remote sensing and in situ platforms. The performance of the data assimilation methodology implemented in the package is demonstrated with a yearlong global ocean hindcast with a 1/4° ocean model. The code is implemented in modern Fortran, supports distributed memory, shared memory, multicore architectures, and uses climate and forecasts compliant Network Common Data Form for input/output. The package is freely available with an open source license from www.tendral.com/tsis/ .

Srinivasan, Ashwanth↗

NASA NTRS1976

Higher-order numerical methods derived from three-point polynomial interpolation

Higher-order collocation procedures resulting in tridiagonal matrix systems are derived from polynomial spline interpolation and Hermitian finite-difference discretization. The equations generally apply for both uniform and variable meshes. Hybrid schemes resulting from different polynomial approximations for first and second derivatives lead to the nonuniform mesh extension of the so-called compact or Pade difference techniques. A variety of fourth-order methods are described and this concept is extended to sixth-order. Solutions with these procedures are presented for the similar and non-similar boundary layer equations with and without mass transfer, the Burgers equation, and the incompressible viscous flow in a driven cavity. Finally, the interpolation procedure is used to derive higher-order temporal integration schemes and results are shown for the diffusion equation.

Rubin, S. G.↗

NASA NTRS1977

Comparison of some optimal control methods for the design of turbine blades

This paper attempts a comparative study of some numerical methods for the optimal control design of turbine blades whose vibration characteristics are approximated by Timoshenko beam idealizations with shear and incorporating simple boundary conditions. The blade was synthesized using the following methods: (1) conjugate gradient minimization of the system Hamiltonian in function space incorporating penalty function transformations, (2) projection operator methods in a function space which includes the frequencies of vibration and the control function, (3) epsilon-technique penalty function transformation resulting in a highly nonlinear programming problem, (4) finite difference discretization of the state equations again resulting in a nonlinear program, (5) second variation methods with complex state differential equations to include damping effects resulting in systems of inhomogeneous matrix Riccatti equations some of which are stiff, (6) quasi-linear methods based on iterative linearization of the state and adjoint equation. The paper includes a discussion of some substantial computational difficulties encountered in the implementation of these techniques together with a resume of work presently in progress using a differential dynamic programming approach.

Desilva, B. M. E.↗

NASA NTRS1981

High order multi-grid methods to solve the Poisson equation

High order multigrid methods based on finite difference discretization of the model problem are examined. The following methods are described: (1) a fixed high order FMG-FAS multigrid algorithm; (2) the high order methods; and (3) results are presented on four problems using each method with the same underlying fixed FMG-FAS algorithm.

Schaffer, S.↗

NASA NTRS1981

An empirical investigation of methods for nonsymmetric linear systems

The present investigation is concerned with a comparison of methods for solving linear algebraic systems which arise from finite difference discretizations of the elliptic convection-diffusion equation in a planar region Omega with Dirichlet boundary conditions. Such linear systems are typically of the form Ax = b where A is an N x N sparse nonsymmetric matrix. In a discussion of discretizations, it is assumed that a regular rectilinear mesh of width h has been imposed on Omega. The discretizations considered include central differences, upstream differences, and modified upstream differences. Six methods for solving Ax = b are considered. Three variants of Gaussian elimination have been chosen as representatives of state-of-the-art software for direct methods under different assumptions about pivoting. Three iterative methods are also included.

Sherman, A. H.↗

NASA NTRS1986

Boundary-layer computational model for predicting the flow and heat transfer in sudden expansions

Fully developed turbulent and laminar flows through symmetric planar and axisymmetric expansions with heat transfer were modeled using a finite-difference discretization of the boundary-layer equations. By using the boundary-layer equations to model separated flow in place of the Navier-Stokes equations, computational effort was reduced permitting turbulence modelling studies to be economically carried out. For laminar flow, the reattachment length was well predicted for Reynolds numbers as low as 20 and the details of the trapped eddy were well predicted for Reynolds numbers above 200. For turbulent flows, the Boussinesq assumption was used to express the Reynolds stresses in terms of a turbulent viscosity. Near-wall algebraic turbulence models based on Prandtl's-mixing-length model and the maximum Reynolds shear stress were compared.

Lewis, J. P.↗

NASA NTRS1990

Dynamics of column stability with partial end restraints

The dynamic behavior of columns with partial end restraints and loads consisting of a dead load and a pulsating load are investigated. The differential equation is solved using a lumped impulse recurrence formula relative to time coupled with a finite difference discretization along the member length. A computer program is written from which the first critical frequencies are found as a function of end stiffness. The case of a pinned ended column compares very well with the exact solution. Also, the natural frequency and buckling load formulas are derived for equal and unequal end restraints.

Gregory, Peyton B.↗

NASA NTRS1991

On the nonlinear development of the most unstable Goertler vortex mode

The nonlinear development of the most unstable Gortler vortex mode in boundary layer flows over curved walls is investigated. The most unstable Gortler mode is confined to a viscous wall layer of thickness O(G -1/5) and has spanwise wavelength O(G 11/5); it is, of course, most relevant to flow situations where the Gortler number G is much greater than 1. The nonlinear equations covering the evolution of this mode over an O(G -3/5) streamwise lengthscale are derived and are found to be of a fully nonparallel nature. The solution of these equations is achieved by making use of the numerical scheme used by Hall (1988) for the numerical solution of the nonlinear Gortler equations valid for O(1) Gortler numbers. Thus, the spanwise dependence of the flow is described by a Fourier expansion, whereas the streamwise and normal variations of the flow are dealt with by employing a suitable finite difference discretization of the governing equations. Our calculations demonstrate that, given a suitable initial disturbance, after a brief interval of decay, the energy in all the higher harmonics grows until a singularity is encountered at some downstream position. The structure of the flowfield as this singularity is approached suggests that the singularity is responsible for the vortices, which are initially confined to the thin viscous wall layer, moving away from the wall and into the core of the boundary layer.

Denier, James P.↗

NASA NTRS1993

On the nonlinear development of the most unstable Goertler vortex mode TLSP - Final report

The nonlinear development of the most unstable Goertler vortex mode in boundary layer flows over curved walls is investigated. The most unstable Goertler mode is confined to a viscous wall layer of thickness O(G -1/5) and has spanwise wavelength O(G 11/5); it is, of course, most relevant to flow situations where the Goertler number G is much greater than 1. The nonlinear equations covering the evolution of this mode over an O(G -3/5) streamwise lengthscale are derived and are found to be of a fully nonparallel nature. The solution of these equations is achieved by making use of the numerical scheme used by Hall (1988) for the numerical solution of the nonlinear Goertler equations valid for O(1) Goertler numbers. Thus, the spanwise dependence of the flow is described by a Fourier expansion, whereas the streamwise and normal variations of the flow are dealt with by employing a suitable finite difference discretization of the governing equations. Our calculations demonstrate that, given a suitable initial disturbance, after a brief interval of decay, the energy in all the higher harmonics grows until a singularity is encountered at some downstream position. The structure of the flowfield as this singularity is approached suggests that the singularity is responsible for the vortices, which are initially confined to the thin viscous wall layer, moving away from the wall and into the core of the boundary layer.

Denier, James P.↗

NASA NTRS1994

Low-dissipation and -dispersion Runge-Kutta schemes for computational acoustics

In this paper, we investigate accurate and efficient time advancing methods for computational acoustics, where non-dissipative and non-dispersive properties are of critical importance. Our analysis pertains to the application of Runge-Kutta methods to high-order finite difference discretization. In many CFD applications multi-stage Runge-Kutta schemes have often been favored for their low storage requirements and relatively large stability limits. For computing acoustic waves, however, the stability consideration alone is not sufficient, since the Runge-Kutta schemes entail both dissipation and dispersion errors. The time step is now limited by the tolerable dissipation and dispersion errors in the computation. In the present paper, it is shown that if the traditional Runge-Kutta schemes are used for time advancing in acoustic problems, time steps greatly smaller than that allowed by the stability limit are necessary. Low-Dissipation and -Dispersion Runge-Kutta (LDDRE) schemes are proposed, based on an optimization that minimizes the dissipation and dispersion errors for wave propagation. Order optimizations of both single-step and two-step alternating schemes are considered. The proposed LDDRK schemes are remarkably more efficient than the classical Runge-Kutta schemes for acoustic computations. Moreover, low storage implementations of the optimized schemes are discussed. Special issues of implementing numerical boundary conditions in the LDDRK schemes are also addressed.

Hu, F. Q.↗

NASA NTRS1995

Introduction to multigrid methods

These notes were written for an introductory course on the application of multigrid methods to elliptic and hyperbolic partial differential equations for engineers, physicists and applied mathematicians. The use of more advanced mathematical tools, such as functional analysis, is avoided. The course is intended to be accessible to a wide audience of users of computational methods. We restrict ourselves to finite volume and finite difference discretization. The basic principles are given. Smoothing methods and Fourier smoothing analysis are reviewed. The fundamental multigrid algorithm is studied. The smoothing and coarse grid approximation properties are discussed. Multigrid schedules and structured programming of multigrid algorithms are treated. Robustness and efficiency are considered.

Wesseling, P.↗

NASA NTRS1995

Application of low dissipation and dispersion Runge-Kutta schemes to benchmark problems in computational aeroacoustics

We investigate accurate and efficient time advancing methods for computational aeroacoustics, where non-dissipative and non-dispersive properties are of critical importance. Our analysis pertains to the application of Runge-Kutta methods to high-order finite difference discretization. In many CFD applications, multi-stage Runge-Kutta schemes have often been favored for their low storage requirements and relatively large stability limits. For computing acoustic waves, however, the stability consideration alone is not sufficient, since the Runge-Kutta schemes entail both dissipation and dispersion errors. The time step is now limited by the tolerable dissipation and dispersion errors in the computation. In the present paper, it is shown that if the traditional Runge-Kutta schemes are used for time advancing in acoustic problems, time steps greatly smaller than that allowed by the stability limit are necessary. Low Dissipation and Dispersion Runge-Kutta (LDDRK) schemes are proposed, based on an optimization that minimizes the dissipation and dispersion errors for wave propagation. Optimizations of both single-step and two-step alternating schemes are considered. The proposed LDDRK schemes are remarkably more efficient than the classical Runge-Kutta schemes for acoustic computations. Numerical results of each Category of the Benchmark Problems are presented. Moreover, low storage implementations of the optimized schemes are discussed. Special issues of implementing numerical boundary conditions in the LDDRK schemes are also addressed.

Hu, F. Q.↗

NASA NTRS1995

Numerical investigations in the backflow region of a vacuum plume

Four tasks were completed in this period and results were published in AIAA papers. First, a Boltzmann-2D code, was developed and applied to compute MSFC-A2 nozzle/plume flow field. It solved the two-dimensional Boltzmann-BGK equation using the Finite Difference Discrete Ordinate (FDDO) numerical technique. The code was validated by experimental data for one-dimensional shock structure predictions, paper 95-2056. Successful results for nozzle/plume flow simulation using the developed Boltzmann-2D code were presented at the 1995 AIAA Aerospace Science Conference, paper 95-0627. Second, a computer code solving two-dimensional Burnett equations was developed and applied to low-density nozzle flow field calculation. Results were also published at the 1994 AIAA Thermophysics Conference, paper 94-2055. Third, the developed two-dimensional Burnett code was extended to compute axisymmetric flow field inside MSFC-A2 nozzle, paper 95-2008. The computed nozzle exit conditions are used as input data for Direct Simulation Monte Carlo (DSMC) plume calculation. Fourth, a DSMC code was modified to compute the exhausted plume near the nozzle exit and in the backflow region.

Liaw, Goang-Shin↗

NASA NTRS1996

On DGS Relaxation: The Stokes Problem

Multigrid methods have proven to be efficient methods for solving partial differential equations (especially those of elliptic type). There is also growing experience with multigrid solvers for fluids problems, e.g., the Stokes and Navier-Stokes equations (using both finite element and finite difference discretizations). It is also well known that at the heart of any multigrid method is the smoother. In this work we look at a smoother introduced by Brandt and Dinar (DGS relaxation), and we examine some of its properties and consider some possible modifications to it. It is well known that multigrid performance using DGS relaxation is sensitive to the treatment of boundaries; this issue is addressed.

Meir, A. J.↗

NASA NTRS1997

A High-Order Direct Solver for Helmholtz Equations with Neumann Boundary Conditions

In this study, a compact finite-difference discretization is first developed for Helmholtz equations on rectangular domains. Special treatments are then introduced for Neumann and Neumann-Dirichlet boundary conditions to achieve accuracy and separability. Finally, a Fast Fourier Transform (FFT) based technique is used to yield a fast direct solver. Analytical and experimental results show this newly proposed solver is comparable to the conventional second-order elliptic solver when accuracy is not a primary concern, and is significantly faster than that of the conventional solver if a highly accurate solution is required. In addition, this newly proposed fourth order Helmholtz solver is parallel in nature. It is readily available for parallel and distributed computers. The compact scheme introduced in this study is likely extendible for sixth-order accurate algorithms and for more general elliptic equations.

Sun, Xian-He↗