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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Comparison of Several Numerical Methods for Simulation of Compressible Shear Layers

An investigation is conducted on several numerical schemes for use in the computation of two-dimensional, spatially evolving, laminar variable-density compressible shear layers. Schemes with various temporal accuracies and arbitrary spatial accuracy for both inviscid and viscous terms are presented and analyzed. All integration schemes use explicit or compact finite-difference derivative operators. Three classes of schemes are considered: an extension of MacCormack's original second-order temporally accurate method, a new third-order variant of the schemes proposed by Rusanov and by Kutier, Lomax, and Warming (RKLW), and third- and fourth-order Runge-Kutta schemes. In each scheme, stability and formal accuracy are considered for the interior operators on the convection-diffusion equation U(sub t) + aU(sub x) = alpha U(sub xx). Accuracy is also verified on the nonlinear problem, U(sub t) + F(sub x) = 0. Numerical treatments of various orders of accuracy are chosen and evaluated for asymptotic stability. Formally accurate boundary conditions are derived for several sixth- and eighth-order central-difference schemes. Damping of high wave-number data is accomplished with explicit filters of arbitrary order. Several schemes are used to compute variable-density compressible shear layers, where regions of large gradients exist.

Kennedy, Christopher A.↗
NASA NTRS1995

A Hybrid Finite Element Method for Axisymmetric Waveguide fed Horns

A new method for finding radiation patterns and the reflection coefficients associated with an axisymmetric waveguide fed horn is presented. The approach is based on a hybrid finite element method (FEM) wherein the electromagnetic fields in the FEM region are coupled to the fields outside by two surface integral equations. Because of the local nature of the FEM, this formalism allows for the presence of inhomogeneities to be included in the problem domain. The matrix equation which results from the application of this method is shown to be complex-symmetric. It is, furthermore, diagonally dominant and sparse. Comparisons of calculated and measured data for two different horns show good agreement.

Hybrid↗
NASA NTRS1992

Large eddy simulation of compressible turbulent channel flows

The development of turbulence within rocket propulsion chamber flows remains a difficult problem to predict. Within solid propellant rockets, the flow can exhibit multiple regions of transition to turbulence, and is susceptible to various modes of aero-acoustic interaction. The objective is to formulate, develop, and validate, a large eddy simulation (LES) method for compressible channel flows. The LES method separates the resolvable scale motions from the unresolvable scales by applying a spatial filter to the compressible Navier-Stokes equations. The equations are solved numerically using a modified four-step Runge-Kutta procedure in time and second or fourth order finite differences in space. The current simulations have validated the algorithm in the incompressible limit and have demonstrated the ability of the method to simulate high subsonic Mach number flows.

Beddini, Robert A.↗
DOE OSTI2016

Implementation of Material and Geometry Criticality Search in RMC Code

RMC is a continuous-energy Reactor Monte Carlo neutron and photon transport code being developed by Department of Engineering Physics at Tsinghua University, Beijing. For the use of simulation of reactor control or design of reactor with unknown material and geometry parameters, an accurate and efficient method of eigenvalue search is implemented in RMC code. The eigenvalue search focuses on two types of parameters. One is nuclide atom density, called material search, which includes the fuel density, enrichment or boron concentration. Perturbation theory of Monte Carlo Code, like differential operator method and adjoint-weighted perturbation method has been widely researched in sensitivity and uncertainty study. For material search, the perturbation algorithm needs to coupled with flexible material control block and optimized strategy. The other type of parameter is surface position, called geometry search, which includes fuel rod diameter, pitch and control rod position. MC21 iterated on surface position based on bisection method or regula-falsi method, and directly recalculated k-eff until it converged to target error interval. In this paper, the differential operator method, improved Newton-Raphson method is introduced. Based on these methods, the global material search is implemented. Then based on material search and finite method, global geometry search is implement. Finally, fuel enrichment, boron concentration and control rod position in normal PWR assembly are searched. The results show that RMC can search material and geometry parameters accurately and efficiently. In this paper, global eigenvalue search of material and geometry parameters have been implemented in RMC code. They are based on the differential operator method in Monte Carlo perturbation theory. The differential operator method samples δk/δρ{sub r}, δ{sup 2}k/δρ{sub r}{sup 2} along with k-eff estimator. Therefore it won't take up too much additional computational resource. For homogeneous material search, fission source effect has little effect of accuracy and can be ignored. The results of fuel enrichment and boron concentration searches in assembly show that improved Newton-Raphson method can iterate efficiently until k-eff is in the error interval. Based on material search and finite difference formula, the geometry parameter, like control rod axial position, can iterate until k-eff is in the error interval. However, the tiny perturbed region may not contain enough tracks to simulate. Besides, the large number density's relative change up to -1 may cause underestimation of Δk-eff, and then slope of k-x curve. This will cause non-convergence for Newton- Raphson method. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1986

An embedding method for the steady Euler equations

Certain difficulties arise in connection with the numerical solution of a direct finite difference representation of the steady Euler equations. Johnson (1979, 1981, 1982) has, therefore, proposed a surrogate-equation technique, in which the first-order steady Euler equations are embedded in a certain second-order system of equations. The present paper is concerned with the theoretical justification for such an embedding approach. For the numerical solution of the two-dimensional steady Euler equations, it is shown that, under a continuity restriction, it is possible to solve a second-order embedded system together with appropriate additional boundary conditions. The result indicates that a more direct and potentially more efficient approach to the steady solutions exists than the alternative of solving the unsteady equations.

Chang, S.-H.↗
NASA NTRS1990

Numerical methods for systems of conservation laws of mixed type using flux splitting

The essentially non-oscillatory (ENO) finite difference scheme is applied to systems of conservation laws of mixed hyperbolic-elliptic type. A flux splitting, with the corresponding Jacobi matrices having real and positive/negative eigenvalues, is used. The hyperbolic ENO operator is applied separately. The scheme is numerically tested on the van der Waals equation in fluid dynamics. Convergence was observed with good resolution to weak solutions for various Riemann problems, which are then numerically checked to be admissible as the viscosity-capillarity limits. The interesting phenomena of the shrinking of elliptic regions if they are present in the initial conditions were also observed.

Shu, Chi-Wang↗
DOE OSTI2025

A provably stable numerical method for the anisotropic diffusion equation in confined magnetic fields

We present a novel numerical method for solving the anisotropic diffusion equation in magnetic fields confined to a periodic box which is accurate and provably stable. We derive energy estimates of the solution of the continuous initial boundary value problem. A discrete formulation is presented using operator splitting in time with the summation by parts finite difference approximation of spatial derivatives for the perpendicular diffusion operator. Weak penalty procedures are derived for implementing both boundary conditions and parallel diffusion operator obtained by field line tracing. We prove that the fully-discrete approximation is unconditionally stable. Discrete energy estimates are shown to match the continuous energy estimate given the correct choice of penalty parameters. A nonlinear penalty parameter is shown to provide an effective method for tuning the parallel diffusion penalty and significantly minimises rounding errors. Several numerical experiments, using manufactured solutions, the “NIMROD benchmark” problem and a single island problem, are presented to verify numerical accuracy, convergence, and asymptotic preserving properties of the method. Finally, we present a magnetic field with chaotic regions and islands and show the contours of the anisotropic diffusion equation reproduce key features in the field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we develop a generalized framework for performing OF-DFT simulations with different variants of the electronic kinetic energy. In particular, we propose a self-consistent field (SCF) type fixed-point method for calculations involving linear-response kinetic energy functionals. In this framework, evaluation of both the electronic ground-state and forces on the nuclei are amenable to computations that scale linearly with the number of atoms. We develop a parallel implementation of this formulation using the finite-difference discretization. We demonstrate that higher-order finite-differences can achieve relatively large convergence rates with respect to mesh-size in both the energies and forces. Additionally, we establish that the fixed-point iteration converges rapidly, and that it can be further accelerated using extrapolation techniques like Anderson's mixing. We validate the accuracy of the results by comparing the energies and forces with plane-wave methods for selected examples, including the vacancy formation energy in Aluminum. Overall, the suitability of the proposed formulation for scalable high performance computing makes it an attractive choice for large-scale OF-DFT calculations consisting of thousands of atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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 NTRS1992

The semi-discrete Galerkin finite element modelling of compressible viscous flow past an airfoil

A method is developed to solve the two-dimensional, steady, compressible, turbulent boundary-layer equations and is coupled to an existing Euler solver for attached transonic airfoil analysis problems. The boundary-layer formulation utilizes the semi-discrete Galerkin (SDG) method to model the spatial variable normal to the surface with linear finite elements and the time-like variable with finite differences. A Dorodnitsyn transformed system of equations is used to bound the infinite spatial domain thereby permitting the use of a uniform finite element grid which provides high resolution near the wall and automatically follows boundary-layer growth. The second-order accurate Crank-Nicholson scheme is applied along with a linearization method to take advantage of the parabolic nature of the boundary-layer equations and generate a non-iterative marching routine. The SDG code can be applied to any smoothly-connected airfoil shape without modification and can be coupled to any inviscid flow solver. In this analysis, a direct viscous-inviscid interaction is accomplished between the Euler and boundary-layer codes, through the application of a transpiration velocity boundary condition. Results are presented for compressible turbulent flow past NACA 0012 and RAE 2822 airfoils at various freestream Mach numbers, Reynolds numbers, and angles of attack. All results show good agreement with experiment, and the coupled code proved to be a computationally-efficient and accurate airfoil analysis tool.

Meade, Andrew J., Jr.↗
NASA NTRS2011

Numerical Treatment of Degenerate Diffusion Equations via Feller's Boundary Classification, and Applications

A numerical method is devised to solve a class of linear boundary-value problems for one-dimensional parabolic equations degenerate at the boundaries. Feller theory, which classifies the nature of the boundary points, is used to decide whether boundary conditions are needed to ensure uniqueness, and, if so, which ones they are. The algorithm is based on a suitable preconditioned implicit finite-difference scheme, grid, and treatment of the boundary data. Second-order accuracy, unconditional stability, and unconditional convergence of solutions of the finite-difference scheme to a constant as the time-step index tends to infinity are further properties of the method. Several examples, pertaining to financial mathematics, physics, and genetics, are presented for the purpose of illustration.

Cacio, Emanuela↗
DOE OSTI2017

Streamline-Based Time-Lapse-Seismic-Data Integration Incorporating Pressure and Saturation Effects

In this paper, we present an efficient history-matching technique that simultaneously integrates 4D repeat seismic surveys with well-production data. This approach is particularly well-suited for the calibration of the reservoir properties of high-resolution geologic models because the seismic data are a really dense but sparse in time, whereas the production data are finely sampled in time but spatially averaged. The joint history matching is performed by use of streamline-based sensitivities derived from either finite-difference or streamline-based flow simulation. For the most part, earlier approaches have focused on the role of saturation changes, but the effects of pressure have largely been ignored. Here, we present a streamline-based semianalytic approach for computing model-parameter sensitivities, accounting for both pressure and saturation effects. The novelty of the method lies in the semianalytic sensitivity computations, making it computationally efficient for high-resolution geologic models. The approach is implemented by use of a finite-difference simulator incorporating the detailed physics. Its efficacy is demonstrated by use of both synthetic and field applications. Lastly, for both the synthetic and the field cases, the advantages of incorporating the time-lapse variations are clear, seen through the improved estimation of the permeability distribution, the pressure profile, the evolution of the fluid saturation, and the swept volumes.

58 GEOSCIENCES↗
DOE OSTI2016

Frequency domain analysis of errors in cross-correlations of ambient seismic noise

We analyse random errors (variances) in cross-correlations of ambient seismic noise in the frequency domain, which differ from previous time domain methods. Extending previous theoretical results on ensemble averaged cross-spectrum, we estimate confidence interval of stacked cross-spectrum of finite amount of data at each frequency using non-overlapping windows with fixed length. The extended theory also connects amplitude and phase variances with the variance of each complex spectrum value. Analysis of synthetic stationary ambient noise is used to estimate the confidence interval of stacked cross-spectrum obtained with different length of noise data corresponding to different number of evenly spaced windows of the same duration. This method allows estimating Signal/Noise Ratio (SNR) of noise cross-correlation in the frequency domain, without specifying filter bandwidth or signal/noise windows that are needed for time domain SNR estimations. Based on synthetic ambient noise data, we also compare the probability distributions, causal part amplitude and SNR of stacked cross-spectrum function using one-bit normalization or pre-whitening with those obtained without these pre-processing steps. Natural continuous noise records contain both ambient noise and small earthquakes that are inseparable from the noise with the existing pre-processing steps. Using probability distributions of random cross-spectrum values based on the theoretical results provides an effective way to exclude such small earthquakes, and additional data segments (outliers) contaminated by signals of different statistics (e.g. rain, cultural noise), from continuous noise waveforms. This technique is applied to constrain values and uncertainties of amplitude and phase velocity of stacked noise cross-spectrum at different frequencies, using data from southern California at both regional scale (~35 km) and dense linear array (~20 m) across the plate-boundary faults. A block bootstrap resampling method is used to account for temporal correlation of noise cross-spectrum at low frequencies (0.05–0.2 Hz) near the ocean microseismic peaks.

58 GEOSCIENCES↗
NASA NTRS1990

An approximate method for calculating three-dimensional inviscid hypersonic flow fields

An approximate solution technique was developed for 3-D inviscid, hypersonic flows. The method employs Maslen's explicit pressure equation in addition to the assumption of approximate stream surfaces in the shock layer. This approximation represents a simplification to Maslen's asymmetric method. The present method presents a tractable procedure for computing the inviscid flow over 3-D surfaces at angle of attack. The solution procedure involves iteratively changing the shock shape in the subsonic-transonic region until the correct body shape is obtained. Beyond this region, the shock surface is determined using a marching procedure. Results are presented for a spherically blunted cone, paraboloid, and elliptic cone at angle of attack. The calculated surface pressures are compared with experimental data and finite difference solutions of the Euler equations. Shock shapes and profiles of pressure are also examined. Comparisons indicate the method adequately predicts shock layer properties on blunt bodies in hypersonic flow. The speed of the calculations makes the procedure attractive for engineering design applications.

Riley, Christopher J.↗
DOE OSTI2024

The Transient Multi-Level method for Monte Carlo reactor statics calculations

The Transient Multi-Level (TML) method is applied to a time-dependent Monte Carlo transport solver to offload some of the computational burden of the expensive Monte Carlo solve to lower-order Coarse Mesh Finite Difference (CMFD) and Exact Point Kinetics Equations (EPKE) solvers via factorization of the neutron flux at the transport and CMFD levels using the Predictor Corrector Quasi-Static Method (PCQM). The Monte Carlo transient is solved by a modified fission source iteration scheme that introduces a single transient source bank. The method is implemented in the production-level Monte Carlo code, Shift, and verified with prescribed reactivity ramps from the two-dimensional version of the C5G7-TD reactor benchmark. The results show that, as compared to other quasi-static methods, the TML reduces the stochastic noise inherent to the transient Monte Carlo solver by factors of ~2 to 6 for various norm comparisons of the reactor power amplitude. Finally, the TML additionally reduces the number of Monte Carlo evaluations needed to simulate the transient, leading to roughly an order of magnitude improvement in CPU time relative to the standard PCQM for the problems tested.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Crack Path Selection in Thermally Loaded Borosilicate/Steel Bibeam Specimen

Here, we have developed a novel specimen for studying crack paths in glass. Under certain conditions, the specimen reaches a state where the crack must select between multiple paths satisfying the K II = 0 condition. This path selection is a simple but challenging benchmark case for both analytical and numerical methods of predicting crack propagation. We document the development of the specimen, using an uncracked and instrumented test case to study the effect of adhesive choice and validate the accuracy of both a simple beam theory model and a finite element model. In addition, we present preliminary fracture test results and provide a comparison to the path predicted by two numerical methods (mesh restructuring and XFEM). The directional stability of the crack path and differences in kink angle predicted by various crack kinking criteria is analyzed with a finite element model.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A Continuous-Discontinuous Hybrid Finite Element Method for S{sub N} Transport

Particle transport phenomenon for neutral particles, such as neutrons and photons, is governed by the linear Boltzmann equation, which is a first-order partial differential equation (PDE). In order to solve the transport equation, discontinuous finite element method (DFEM) is heavily developed. However, the large memory consumption due to the extra degrees of freedom is problematic in multi-D calculations. Another path is to recast the transport equation to a second-order form, such as the well-known self-adjoint angular flux equation (SAAF) and the even parity equations, and spatially discretize the equation using continuous finite element method (CFEM). Yet, such forms generally have problems in void situation as the streaming operator contains a 1/σ{sub t} term and becomes singular in void, which draws numerous efforts on developing void-treatment methods. An intuition to mitigate the shortcomings of both methods is then to develop a method that utilizes DFEM in part of the problem where CFEM has issues while in the other part, CFEM is employed to avoid DFEM's high cost. In this work, we present a novel continuous-discontinuous finite element method (CDFEM) for solving the discrete-ordinates (S{sub N}) transport equations. We perform the hybridization between 1/σ{sub t}-weighted least-squares finite element methods (1/σ{sub t}-LSFEM), with continuous basis functions, and first-order solver. Different solvers are defined in different regions, or subdomains, of the problem. The resulting scheme is such that CFEM-SAAF is performed in subdomains with continuous basis functions while upwinding based DFEM solver is utilized in subdomains with discontinuous basis functions. The connection between subdomains is through an upwinding operation on the interface, which can be performed via the sweep procedure. A foreseeable benefit is such a scheme is compatible with void as first-order DFEM solver can be used in void. On the other hand, as DFEM is only used in part of the problem, CDFEM can effectively avoid the notorious memory consumption of DFEM in multi-D calculation for the future work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗