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NASA NTRS1972

Statistical versus nonstatistical temperature inversion methods

Vertical temperature profiles are derived from radiation measurements by inverting the integral equation of radiative transfer. Because of the nonuniqueness of the solution, the particular temperature profile obtained depends on the numerical inversion technique used and the type of auxiliary information incorporated in the solution. The choice of an inversion algorithm depends on many factors; including the speed and size of computer, the availability of representative statistics, and the accuracy of initial data. Results are presented for a numerical study comparing two contrasting inversion methods: the statistical-matrix inversion method and the nonstatistical-iterative method. These were found to be the most applicable to the problem of determining atmospheric temperature profiles. Tradeoffs between the two methods are discussed.

Smith, W. L.↗

NASA NTRS1987

Dynamic response of laminated composite plates using a three-dimensional hybrid-stress finite-element formulation

A method of analysis of dynamic response of laminated composite plates is presented. The analysis is carried by using a hybrid-stress finite element numerical technique. By using this approach, the response of simply supported laminated plates subjected to sinusoidal loading are investigated. For the solution of the finite element equations of motion of free vibrations and dynamic response problems, two effective methods of solution, the space iteration method and the Newmark direct integration method are used. These two methods are discussed here.

Liou, W. J.↗

NASA NTRS1996

Parallel Newton-Krylov-Schwarz algorithms for the transonic full potential equation

We study parallel two-level overlapping Schwarz algorithms for solving nonlinear finite element problems, in particular, for the full potential equation of aerodynamics discretized in two dimensions with bilinear elements. The overall algorithm, Newton-Krylov-Schwarz (NKS), employs an inexact finite-difference Newton method and a Krylov space iterative method, with a two-level overlapping Schwarz method as a preconditioner. We demonstrate that NKS, combined with a density upwinding continuation strategy for problems with weak shocks, is robust and, economical for this class of mixed elliptic-hyperbolic nonlinear partial differential equations, with proper specification of several parameters. We study upwinding parameters, inner convergence tolerance, coarse grid density, subdomain overlap, and the level of fill-in in the incomplete factorization, and report their effect on numerical convergence rate, overall execution time, and parallel efficiency on a distributed-memory parallel computer.

Cai, Xiao-Chuan↗

NASA NTRS2014

High-Order Implicit-Explicit Multi-Block Time-stepping Method for Hyperbolic PDEs

This work seeks to explore and improve the current time-stepping schemes used in computational fluid dynamics (CFD) in order to reduce overall computational time. A high-order scheme has been developed using a combination of implicit and explicit (IMEX) time-stepping Runge-Kutta (RK) schemes which increases numerical stability with respect to the time step size, resulting in decreased computational time. The IMEX scheme alone does not yield the desired increase in numerical stability, but when used in conjunction with an overlapping partitioned (multi-block) domain significant increase in stability is observed. To show this, the Overlapping-Partition IMEX (OP IMEX) scheme is applied to both one-dimensional (1D) and two-dimensional (2D) problems, the nonlinear viscous Burger's equation and 2D advection equation, respectively. The method uses two different summation by parts (SBP) derivative approximations, second-order and fourth-order accurate. The Dirichlet boundary conditions are imposed using the Simultaneous Approximation Term (SAT) penalty method. The 6-stage additive Runge-Kutta IMEX time integration schemes are fourth-order accurate in time. An increase in numerical stability 65 times greater than the fully explicit scheme is demonstrated to be achievable with the OP IMEX method applied to 1D Burger's equation. Results from the 2D, purely convective, advection equation show stability increases on the order of 10 times the explicit scheme using the OP IMEX method. Also, the domain partitioning method in this work shows potential for breaking the computational domain into manageable sizes such that implicit solutions for full three-dimensional CFD simulations can be computed using direct solving methods rather than the standard iterative methods currently used.

Nielsen, Tanner B.↗

DOE OSTI2011

POLARIZED LINE FORMATION IN MULTI-DIMENSIONAL MEDIA. III. HANLE EFFECT WITH PARTIAL FREQUENCY REDISTRIBUTION

In two previous papers, we solved the polarized radiative transfer (RT) equation in multi-dimensional (multi-D) geometries with partial frequency redistribution as the scattering mechanism. We assumed Rayleigh scattering as the only source of linear polarization (Q/I, U/I) in both these papers. In this paper, we extend these previous works to include the effect of weak oriented magnetic fields (Hanle effect) on line scattering. We generalize the technique of Stokes vector decomposition in terms of the irreducible spherical tensors T{sup K}{sub Q}, developed by Anusha and Nagendra, to the case of RT with Hanle effect. A fast iterative method of solution (based on the Stabilized Preconditioned Bi-Conjugate-Gradient technique), developed by Anusha et al., is now generalized to the case of RT in magnetized three-dimensional media. We use the efficient short-characteristics formal solution method for multi-D media, generalized appropriately to the present context. The main results of this paper are the following: (1) a comparison of emergent (I, Q/I, U/I) profiles formed in one-dimensional (1D) media, with the corresponding emergent, spatially averaged profiles formed in multi-D media, shows that in the spatially resolved structures, the assumption of 1D may lead to large errors in linear polarization, especially in the line wings. (2) The multi-D RT in semi-infinite non-magnetic media causes a strong spatial variation of the emergent (Q/I, U/I) profiles, which is more pronounced in the line wings. (3) The presence of a weak magnetic field modifies the spatial variation of the emergent (Q/I, U/I) profiles in the line core, by producing significant changes in their magnitudes.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1990

An adaptive grid algorithm for one-dimensional nonlinear equations

Richards' equation, which models the flow of liquid through unsaturated porous media, is highly nonlinear and difficult to solve. Step gradients in the field variables require the use of fine grids and small time step sizes. The numerical instabilities caused by the nonlinearities often require the use of iterative methods such as Picard or Newton interation. These difficulties result in large CPU requirements in solving Richards equation. With this in mind, adaptive and multigrid methods are investigated for use with nonlinear equations such as Richards' equation. Attention is focused on one-dimensional transient problems. To investigate the use of multigrid and adaptive grid methods, a series of problems are studied. First, a multigrid program is developed and used to solve an ordinary differential equation, demonstrating the efficiency with which low and high frequency errors are smoothed out. The multigrid algorithm and an adaptive grid algorithm is used to solve one-dimensional transient partial differential equations, such as the diffusive and convective-diffusion equations. The performance of these programs are compared to that of the Gauss-Seidel and tridiagonal methods. The adaptive and multigrid schemes outperformed the Gauss-Seidel algorithm, but were not as fast as the tridiagonal method. The adaptive grid scheme solved the problems slightly faster than the multigrid method. To solve nonlinear problems, Picard iterations are introduced into the adaptive grid and tridiagonal methods. Burgers' equation is used as a test problem for the two algorithms. Both methods obtain solutions of comparable accuracy for similar time increments. For the Burgers' equation, the adaptive grid method finds the solution approximately three times faster than the tridiagonal method. Finally, both schemes are used to solve the water content formulation of the Richards' equation. For this problem, the adaptive grid method obtains a more accurate solution in fewer work units and less computation time than required by the tridiagonal method. The performance of the adaptive grid method tends to degrade as the solution process proceeds in time, but still remains faster than the tridiagonal scheme.

Gutierrez, William E.↗

NASA NTRS1983

Subsonic panel method for designing wing surfaces from pressure distribution

An iterative method has been developed for designing wing section contours corresponding to a prescribed subcritical distribution of pressure. The calculations are initialized by using a surface panel method to analyze a baseline wing or wing-fuselage configuration. A first-order expansion to the baseline panel method equations is then used to calculate a matrix containing the partial derivative of potential at each control point with respect to each unknown geometry parameter. In every iteration cycle, the matrix is used both to calculate the geometry perturbation and to analyze the perturbed geometry. The distribution of potential on the perturbed geometry is established by simple linear extrapolation from the baseline solution. The extrapolated potential is converted to pressure by Bernoulli's equation. Not only is the accuracy of the approach good for very large perturbations, but the computing cost of each complete iteration cycle is substantially less than one analysis solution by a conventional panel method.

Bristow, D. R.↗

NASA NTRS1986

Solving large-scale dynamic systems using band Lanczos method in Rockwell NASTRAN on CRAY X-MP

The improved cost effectiveness using better models, more accurate and faster algorithms and large scale computing offers more representative dynamic analyses. The band Lanczos eigen-solution method was implemented in Rockwell's version of 1984 COSMIC-released NASTRAN finite element structural analysis computer program to effectively solve for structural vibration modes including those of large complex systems exceeding 10,000 degrees of freedom. The Lanczos vectors were re-orthogonalized locally using the Lanczos Method and globally using the modified Gram-Schmidt method for sweeping rigid-body modes and previously generated modes and Lanczos vectors. The truncated band matrix was solved for vibration frequencies and mode shapes using Givens rotations. Numerical examples are included to demonstrate the cost effectiveness and accuracy of the method as implemented in ROCKWELL NASTRAN. The CRAY version is based on RPK's COSMIC/NASTRAN. The band Lanczos method was more reliable and accurate and converged faster than the single vector Lanczos Method. The band Lanczos method was comparable to the subspace iteration method which was a block version of the inverse power method. However, the subspace matrix tended to be fully populated in the case of subspace iteration and not as sparse as a band matrix.

Gupta, V. K.↗

DOE OSTI2018

GSTS-Uzawa method for a class of complex singular saddle point problems

In this paper, we propose GSTS–Uzawa method for solving a class of complex singular saddle point problems based on generalized skew-Hermitian triangular splitting (GSTS) iteration method and classical Uzawa method. We research on its semi-convergence properties and the eigenvalues distributions of its preconditioned matrix. The resulting GSTS–Uzawa preconditioner is used to precondition Krylov subspace methods such as the restarted generalized minimal residual (GMRES) method for solving the equivalent formulation of the complex singular saddle point problems. The theoretical results and effectiveness of the GSTS–Uzawa method are supported by a numerical example.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Resonance self-shielding methodology in MPACT

The resonance self-shielding methods of the neutron transport code Michigan Parallel Characteristics based Transport (MPACT) are described in this paper. Two resonance-integral table based methods are utilized to resolve the resonance self-shielding effect. The subgroup method is a mature approach used in MPACT as the basic functionality for the resonance calculation. Another new iterative method, named the embedded self-shielding method is also implemented in MPACT. Comparisons of the two methods as well as their numerical verifications are presented. The results show that MPACT is capable of modeling the resonance self-shielding in a variety of PWR benchmarking cases, including difficult fuel lattice cases with poison, control rods or mixed gadolinia fuel rods. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

Conservative tightly-coupled simulations of stochastic multiscale systems

Multiphysics problems often involve components whose macroscopic dynamics is driven by microscopic random fluctuations. The fidelity of simulations of such systems depends on their ability to propagate these random fluctuations throughout a computational domain, including subdomains represented by deterministic solvers. When the constituent processes take place in nonoverlapping subdomains, system behavior can be modeled via a domain-decomposition approach that couples separate components at the interfaces between these subdomains. Its coupling algorithm has to maintain a stable and efficient numerical time integration even at high noise strength. We propose a conservative domain-decomposition algorithm in which tight coupling is achieved by employing either Picard's or Newton's iterative method. Coupled diffusion equations, one of which has a Gaussian white-noise source term, provide a computational testbed for analysis of these two coupling strategies. Fully-converged (“implicit”) coupling with Newton's method typically outperforms its Picard counterpart, especially at high noise levels. This is because the number of Newton iterations scales linearly with the amplitude of the Gaussian noise, while the number of Picard iterations can scale superlinearly. At large time intervals between two subsequent inter-solver communications, the solution error for single-iteration (“explicit”) Picard's coupling can be several orders of magnitude higher than that for implicit coupling. Increasing the explicit coupling's communication frequency reduces this difference, but the resulting increase in computational cost can make it less efficient than implicit coupling at similar levels of solution error, depending on the communication frequency of the latter and the noise strength. This trend carries over into higher dimensions, although at high noise strength explicit coupling may be the only computationally viable option.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

A generalized Poisson solver for first-principles device simulations

Electronic structure calculations of atomistic systems based on density functional theory involve solving the Poisson equation. In this paper, we present a plane-wave based algorithm for solving the generalized Poisson equation subject to periodic or homogeneous Neumann conditions on the boundaries of the simulation cell and Dirichlet type conditions imposed at arbitrary subdomains. In this way, source, drain, and gate voltages can be imposed across atomistic models of electronic devices. Dirichlet conditions are enforced as constraints in a variational framework giving rise to a saddle point problem. The resulting system of equations is then solved using a stationary iterative method in which the generalized Poisson operator is preconditioned with the standard Laplace operator. The solver can make use of any sufficiently smooth function modelling the dielectric constant, including density dependent dielectric continuum models. For all the boundary conditions, consistent derivatives are available and molecular dynamics simulations can be performed. The convergence behaviour of the scheme is investigated and its capabilities are demonstrated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1986

Some recent developments in spectral methods

This paper is solely devoted to spectral iterative methods including spectral multigrid methods. These techniques are explained with reference to simple model problems. Some Navier-Stokes algorithms based on these techniques are mentioned. Results on transition simulation using these algorithms are presented.

Hussaini, M. Y.↗

NASA NTRS1987

Relaxation method of compensation in an optical correlator

An iterative method is proposed for the sharpening of programmable filters in a 4-f optical correlator. Continuously variable spatial light modulators (SLMs) permit the fine adjustment of optical processing filters so as to compensate for the departures from ideal behavior of a real optical system. Although motivated by the development of continuously variable phase-only SLMs, the proposed sharpening method is also applicable to amplitude modulators and, with appropriate adjustments, to binary modulators as well. A computer simulation is presented that illustrates the potential effectiveness of the method: an image is placed on the input to the correlator, and its corresponding phase-only filter is adjusted (allowed to relax) so as to produce a progressively brighter and more centralized peak in the correlation plane. The technique is highly robust against the form of the system's departure from ideal behavior.

Juday, Richard D.↗

DOE OSTI2016

The Iterated Fission Matrix Method

The fission matrix (FM) method has been successfully demonstrated for different applications. One of the interesting features of this method, which is not possible via standard criticality source Monte Carlo calculations, is the capability to calculate higher forward and adjoint Eigenmodes; however, the accuracy of the estimates for higher eigenvalues strongly depends on the spatial discretization adopted for the fission matrix. A fine mesh ensures accurate results but requires matrices of large size. This is considered a limitation to the applicability of the FM method due to the memory requirements for storage of large full matrices. The adoption of sparse matrix storage (e.g., in MCNP) partially overcomes this problem; nonetheless, the sparse matrix indexing increases the complexity of the implementation of the FM algorithm and introduces the additional task of sparsifying the fission matrix. This summary presents a new method, named the iterated fission matrix (IFM), that allows to estimate higher eigenvalues of multiplying systems on much smaller meshes, but with the same level of accuracy in terms of spatial discretization errors, as compared to the FM method. The following Sections describe this new approach and provide a demonstration using two case studies: a PWR fuel assembly, and a 2D PWR core. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1976

An iterative decoupling solution method for large scale Lyapunov equations

A great deal of attention has been given to the numerical solution of the Lyapunov equation. A useful classification of the variety of solution techniques are the groupings of direct, transformation, and iterative methods. The paper summarizes those methods that are at least partly favorable numerically, giving special attention to two criteria: exploitation of a general sparse system matrix structure and efficiency in resolving the governing linear matrix equation for different matrices. An iterative decoupling solution method is proposed as a promising approach for solving large-scale Lyapunov equation when the system matrix exhibits a general sparse structure. A Fortran computer program that realizes the iterative decoupling algorithm is also discussed.

Athay, T. M.↗

DOE OSTI2016

Iterative algorithms for processing experimental data

The need to solve linear and nonlinear integral equations arise, e.g., in recovering plasma parameters from the data of multichannel diagnostics. The paper presents an iterative method for solving integral equations with a singularity at the upper limit of integration. The method consists in constructing successive approximations and calculating the integral by quadrature formulas in each integration interval. An example of application of the iterative algorithm to numerically solve an integral equation similar to those arising in recovering the plasma density profile from reflectometry data is presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Considering nonlocality in the optical potentials within eikonal models

Background: For its simplicity, the eikonal method is the tool of choice to analyze nuclear reactions at high energies (E > 100 MeV/nucleon), including knockout reactions. However, so far, the effective interactions used in this method are assumed to be fully local. Purpose: Given the recent studies on nonlocal optical potentials, in this work we assess whether nonlocality in the optical potentials is expected to impact reactions at high energies and then explore different avenues for extending the eikonal method to include nonlocal interactions. Method: We compare angular distributions obtained for nonlocal interactions (using the exact R-matrix approach for elastic scattering and the adiabatic distorted wave approximation for transfer) with those obtained using their local-equivalent interactions. Results: Our results show that transfer observables are significantly impacted by nonlocality in the high-energy regime. Because knockout reactions are dominated by stripping (transfer to inelastic channels), nonlocality is expected to have a large effect on knockout observables too. Three approaches are explored for extending the eikonal method to nonlocal interactions, including an iterative method and a perturbation theory. Conclusions: None of the derived extensions of the eikonal model provide a good description of elastic scattering. Here, this paper suggests that nonlocality removes the formal simplicity associated with the eikonal model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗