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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Computational methods for ideal compressible flow

Conservative dissipative difference schemes for computing one dimensional flow are introduced, and the recognition and representation of flow discontinuities are discussed. Multidimensional methods are outlined. Second order finite volume schemes are introduced. Conversion of difference schemes for a single linear convection equation into schemes for the hyperbolic system of the nonlinear conservation laws of ideal compressible flow is explained. Approximate Riemann solvers are presented. Monotone initial value interpolation; and limiters, switches, and artificial dissipation are considered.

Vanleer, B.↗
NASA NTRS1985

A fully implicit scheme for the barotropic primitive equations

An efficient implicit finite-difference method is developed and tested for a global barotropic model. The scheme requires, at each time step, the solution of only one-dimensional block-tridiagonal linear systems. This additional computation is offset by the use of a time step chosen independently of the mesh spacing. The method is second-order accurate in time and fourth-order accurate in space. Present experience indicates that this implicit method is practical for numerical simulation on fine meshes.

Cohn, S. E.↗
DOE OSTI2025

Explicit block encodings of boundary value problems for many-body elliptic operators

Simulation of physical systems is one of the most promising use cases of future digital quantum computers. In this work we systematically analyze the quantum circuit complexities of block encoding the discretized elliptic operators that arise extensively in numerical simulations for partial differential equations, including high-dimensional instances for many-body simulations. When restricted to rectangular domains with separable boundary conditions, we provide explicit circuits to block encode the many-body Laplacian with separable periodic, Dirichlet, Neumann, and Robin boundary conditions, using standard discretization techniques from low-order finite difference methods. To obtain high-precision, we introduce a scheme based on periodic extensions to solve Dirichlet and Neumann boundary value problems using a high-order finite difference method, with only a constant increase in total circuit depth and subnormalization factor. We then present a scheme to implement block encodings of differential operators acting on more arbitrary domains, inspired by Cartesian immersed boundary methods. We then block encode the many-body convective operator, which describes interacting particles experiencing a force generated by a pair-wise potential given as an inverse power law of the interparticle distance. This work provides concrete recipes that are readily translated into quantum circuits, with depth logarithmic in the total Hilbert space dimension, that block encode operators arising broadly in applications involving the quantum simulation of quantum and classical many-body mechanics.

Kharazi, Tyler [University of California, Berkeley↗
NASA NTRS1978

On the construction and application of implicit factored schemes for conservation laws

Efficient, noniterative, implicit finite difference algorithms are systematically developed for nonlinear conservation laws including purely hyperbolic systems and mixed hyperbolic parabolic systems. Utilization of a rational fraction or Pade time differencing formulas, yields a direct and natural derivation of an implicit scheme in a delta form. Attention is given to advantages of the delta formation and to various properties of one- and two-dimensional algorithms.

Warming, R. F.↗
NASA NTRS1972

Computation of the wind by forced adjustment to the height field.

Experimental study of the problem of the forced adjustment of the wind field to the height field with the Mintz-Arakawa two-level atmospheric general circulation model. In all but one of the experiments, the height field was assumed to be perfectly observed at 6-hr intervals, over a time period of one day or less, and from these height data the vector wind field was computed by forced dynamical adjustment. In one experiment, the temperature alone was prescribed. The winds computed in these experiments were compared with the 'control' winds of the general circulation simulation. The best agreement between the computed and the control winds was obtained when the time-differencing scheme in the governing finite-difference equations of motion had a large rate of damping of high-frequency motions. This damping rate also determined the optimum fraction and frequency of restoration of the height (or temperature) fields. With strong damping, total restoration at every time step gave the most rapid rate of wind error reduction and the smallest asymptotic limit of the wind error.

Mesinger, F.↗
NASA NTRS1992

Numerical simulation of steady and unsteady asymmetric vortical flow

The unsteady, compressible, thin-layer, Navier-Stokes (NS) equations are solved to simulate steady and unsteady, asymmetric, vortical laminar flow around cones at high incidences and supersonic Mach numbers. The equations are solved by using an implicit, upwind, flux-difference splitting (FDS), finite-volume scheme. The locally conical flow assumption is used and the solutions are obtained by forcing the conserved components of the flowfield vector to be equal at two axial stations located at 0.95 and 1.0. Computational examples cover steady and unsteady asymmetric flows around a circular cone and its control using side strakes. The unsteady asymmetric flow solution around the circular cone has also been validated using the upwind, flux-vector splitting (FVS) scheme with the thin-layer NS equations and the upwind FDS with the full NS equations. The results are in excellent agreement with each other. Unsteady asymmetric flows are also presented for elliptic- and diamond-section cones, which model asymmetric vortex shedding around round- and sharp-edged delta winds.

Kandil, Osama A.↗
NASA NTRS1992

The Burnett shock structures in low density hypersonic flows

One-dimensional shock structures in low density hypersonic flows have been studied numerically by solving the Burnett and Navier-Stokes equations. A new lower-upper scheme has been developed to obtain the steady and stationary normal shock solutions by the time-marching technique. The new scheme directly employs the implicit finite difference method without computing the eigenvalues, and it is first-order accurate in time and second-order accurate in space. The computed shock structures have been compared with available experimental data, and they are in good agreements. Numerical results show that the Burnett calculations has less numerical diffusion than the Navier-Stokes calculations does. As to the shock thickness, the Burnett solutions are apparently superior than the Navier-Stokes solutions.

Liaw, Goang-Shin↗
NASA NTRS1993

Dynamic stall of an oscillating wing. Part 1: Evaluation of turbulence models

Unsteady flowfields of a two-dimensional oscillating wing are calculated using an implicit, finite-difference, Navier-Stokes numerical scheme using five widely used turbulence models. The objective of this study is to identify an appropriate turbulence model for accurate simulation of three-dimensional dynamic stall. Three unsteady flow conditions corresponding to attached flow, light-stall, and deep-stall of an oscillating wing experiment were chosen as test cases for computations. Results of unsteady airload hysteresis curves, harmonics of unsteady pressures, and instantaneous flow pictures are presented. Comparison of unsteady airloads with experiment show that all models are deficient in some sense and not a single model predicts all airloads consistently and in agreement with experiment for all flow conditions. For the attached flow condition, the Renormalization Group Theory (RNG), the Johnoson-King (J-K), and the Spalart-Allmaras (S-A) models have better performance. The Baldwin-Lomax (B-L) and the Baldwin-Barth (B-B) models fair poorly. At the light-stall condition, the results for the RNG, the J-K, and S-A models are in agreement with experiment for the upstroke but they all over predict the separation shown by the experiment and therefore have bigger hysteresis loops than experimental results. The B-B model results are also in good agreement for upstroke but have poor lift hysteresis for downstroke. It has superior drag and pitching-moment predictions. For deep-stall conditions, the airloads for the RNG, the B -B, and the S-A models have fair agreement with experiment, but the B-B model performed better at the extreme deep-stall condition. Overall, the RNG model provides significant improvement over the B-L model in all flow regimes with no additional computational cost. The Baldwin-Barth model is the most expensive of the models considered here, costing about 2.5 times that of the Baldwin-Lomax model. Finally, a brief discussion of the effects of grid density, time-step size, and numerical dissipation on the unsteady solutions are also presented.

Srinivasan, G. R.↗
NASA NTRS1984

A two-point difference scheme for computing steady-state solutions to the conservative one-dimensional Euler equations

An implicit finite-difference method is presented for obtaining steady-state solutions to the time-dependent, conservative Euler equations for flows containing shocks. The method uses a two-point central-difference scheme for the flux derivatives with dissipation added at supersonic points via the retarded density concept. Application of the method to 1-dimensional nozzle flow equations for various combinations of subsonic and supersonic boundary conditions show the method to be very efficient. Residuals are typically reduced to machine zero in approximately 35 time steps for 50 mesh points. For 1-dimensional Euler calculations, it is shown that the scheme offers two advantages over the more widely-used three-point schemes. The first is in regard to application of boundary conditions, and the second relates to the fact that the two-point algorithm is well-conditioned for large time steps.

Wornom, S. F.↗
DOE OSTI2021

Error Estimates for the Optimal Control of a Parabolic Fractional PDE

In this work, we consider the integral definition of the fractional Laplacian and analyze a linear-quadratic optimal control problem for the so-called fractional heat equation; control constraints are also considered. We derive existence and uniqueness results, first order optimality conditions, and regularity estimates for the optimal variables. To discretize the state equation we propose a fully discrete scheme that relies on an implicit finite difference discretization in time combined with a piecewise linear finite element discretization in space. We derive stability results and a novel $L^2(0,T;L^2(\Omega))$ a priori error estimate. On the basis of the aforementioned solution technique, we propose a fully discrete scheme for our optimal control problem that discretizes the control variable with piecewise constant functions, and we derive a priori error estimates for it. We illustrate the theory with one- and two-dimensional numerical experiments.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1986

A mixed pseudospectral/finite difference method for the axisymmetric flow in a heated, rotating spherical shell

For a Spacelab flight, a model experiment of the earth's atmospheric circulation has been proposed. This experiment is known as the Atmospheric General Circulation Experiment (AGCE). In the experiment concentric spheres will rotate as a solid body, while a dielectric fluid is confined in a portion of the gap between the spheres. A zero gravity environment will be required in the context of the simulation of the gravitational body force on the atmosphere. The present study is concerned with the development of pseudospectral/finite difference (PS/FD) model and its subsequent application to physical cases relevant to the AGCE. The model is based on a hybrid scheme involving a pseudospectral latitudinal formulation, and finite difference radial and time discretization. The advantages of the use of the hybrid PS/FD method compared to a pure second-order accurate finite difference (FD) method are discussed, taking into account the higher accuracy and efficiency of the PS/FD method.

Macaraeg, M. G.↗
NASA NTRS1986

The prediction of transonic loading advancing helicopter rotors

Two different schemes are presented for including the effect of rotor wakes on the finite-difference prediction of rotor loads. The first formulation includes wake effects by means of a blade-surface inflow specification. This approach is sufficiently simple to permit coupling of a full-potential finite-difference rotor code to a comprehensive integral model for the rotor wake and blade motion. The coupling involves a transfer of appropriate loads and inflow data between the two computer codes. Results are compared with experimental data for two advancing rotor cases. The second rotor wake modeling scheme in this paper is a split potential formulation for computing unsteady blade-vortex interactions. Discrete vortex fields are introduced into a three-dimensional, conservative, full-potential rotor code. Computer predictions are compared with two experimental blade-vortex interaction cases.

Strawn, R.↗
NASA NTRS1984

The Prediction of Transonic Flows on an Advancing Rotor

The object of this investigation was to find and demonstrate a means of performing efficient finite-difference computations of rotor loading for a trimmed rotor in high-speed, forward flight. The essence of the scheme that was developed is a loose-coupled iteration procedure between a finite difference and a comprehensive integral rotor code. The coupling involves a transfer of appropriate load and inflow data on the advancing side between the two codes such that consistency maintained. Sample computations, including a limited comparison with model rotor data, are presented. The scheme converges rapidly. However, even one iteration with this scheme can provide sufficient accuracy for many purposes.

Tung, Chee↗
DOE OSTI2020

Analysis of the SBP-SAT Stabilization for Finite Element Methods Part I: Linear Problems

In the hyperbolic community, discontinuous Galerkin (DG) approaches are mainly applied when finite element methods are considered. As the name suggested, the DG framework allows a discontinuity at the element interfaces, which seems for many researchers a favorable property in case of hyperbolic balance laws. On the contrary, continuous Galerkin methods appear to be unsuitable for hyperbolic problems and there exists still the perception that continuous Galerkin methods are notoriously unstable. To remedy this issue, stabilization terms are usually added and various formulations can be found in the literature. However, this perception is not true and the stabilization terms are unnecessary, in general. In this paper, we deal with this problem, but present a different approach. We use the boundary conditions to stabilize the scheme following a procedure that are frequently used in the finite difference community. Here, the main idea is to impose the boundary conditions weakly and specific boundary operators are constructed such that they guarantee stability. This approach has already been used in the discontinuous Galerkin framework, but here we apply it with a continuous Galerkin scheme. No internal dissipation is needed even if unstructured grids are used. Further, we point out that we do not need exact integration, it suffices if the quadrature rule and the norm in the differential operator are the same, such that the summation-by-parts property is fulfilled meaning that a discrete Gauss Theorem is valid. This contradicts the perception in the hyperbolic community that stability issues for pure Galerkin scheme exist. In numerical simulations, we verify our theoretical analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

ELSI — An open infrastructure for electronic structure solvers

Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal basis sets, overlap matrices. System sizes can range from few to thousands or, in some examples, millions of atoms. Different discretization schemes (basis sets) and different system geometries (finite non-periodic vs. infinite periodic boundary conditions) yield matrices with different structures. The ELectronic Structure Infrastructure (ELSI) project provides an open-source software interface to facilitate the implementation and optimal use of high-performance solver libraries covering cubic scaling eigensolvers, linear scaling density-matrix-based algorithms, and other reduced scaling methods in between. In this paper, we present recent improvements and developments inside ELSI, mainly covering (1) new solvers connected to the interface, (2) matrix layout and communication adapted for parallel calculations of periodic and/or spin-polarized systems, (3) routines for density matrix extrapolation in geometry optimization and molecular dynamics calculations, and (4) general utilities such as parallel matrix I/O and JSON output. The ELSI interface has been integrated into four electronic structure code projects (DFTB+, DGDFT, FHI-aims, SIESTA), allowing us to rigorously benchmark the performance of the solvers on an equal footing. Based on results of a systematic set of large-scale benchmarks performed with Kohn–Sham density-functional theory and density-functional tight-binding theory, we identify factors that strongly affect the efficiency of the solvers, and propose a decision layer that assists with the solver selection process. As a result, we describe a reverse communication interface encoding matrix-free iterative solver strategies that are amenable, e.g., for use with planewave basis sets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Tensor Network Space-Time Spectral Collocation Method for Time-Dependent Convection-Diffusion-Reaction Equations

Emerging tensor network techniques for solutions of partial differential equations (PDEs), known for their ability to break the curse of dimensionality, deliver new mathematical methods for ultra-fast numerical solutions of high-dimensional problems. Here, we introduce a Tensor Train (TT) Chebyshev spectral collocation method, in both space and time, for the solution of the time-dependent convection-diffusion-reaction (CDR) equation with inhomogeneous boundary conditions, in Cartesian geometry. Previous methods for numerical solution of time-dependent PDEs often used finite difference for time, and a spectral scheme for the spatial dimensions, which led to a slow linear convergence. Spectral collocation space-time methods show exponential convergence; however, for realistic problems they need to solve large four-dimensional systems. We overcome this difficulty by using a TT approach, as its complexity only grows linearly with the number of dimensions. We show that our TT space-time Chebyshev spectral collocation method converges exponentially, when the solution of the CDR is smooth, and demonstrate that it leads to a very high compression of linear operators from terabytes to kilobytes in TT-format, and a speedup of tens of thousands of times when compared to a full-grid space-time spectral method. These advantages allow us to obtain the solutions at much higher resolutions.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Reynold stress closure in jet flows using wave models

Research program efforts have continued to concentrate on the development of the numerical methods that will form the computational part of the turbulence closure scheme. Studies have continued on the wave model for the two dimensional shear layer. This configuration is being used as a test case for the closure schemes. Several numerical schemes for the solution of the non-separable Rayleigh equation were developed. This solution is required for the closure scheme in more complex geometries. The most efficient method found is a Hybrid scheme that combines both pseudospectral and finite difference techniques. In addition, conformal transformation techniques were developed to transform the arbitrary geometry of the jet to a simple computational domain. The study of the shock structure in arbitrary geometry jets and multiple jets. These developments are described briefly.

Morris, P. J.↗