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NASA NTRS1995

Modeling of nonequilibrium space plasma flows

Godunov-type numerical solution of the 20 moment plasma transport equations. One of the centerpieces of our proposal was the development of a higher order Godunov-type numerical scheme to solve the gyration dominated 20 moment transport equations. In the first step we explored some fundamental analytic properties of the 20 moment transport equations for a low b plasma, including the eigenvectors and eigenvalues of propagating disturbances. The eigenvalues correspond to wave speeds, while the eigenvectors characterize the transported physical quantities. In this paper we also explored the physically meaningful parameter range of the normalized heat flow components. In the second step a new Godunov scheme type numerical method was developed to solve the coupled set of 20 moment transport equations for a quasineutral single-ion plasma. The numerical method and the first results were presented at several national and international meetings and a paper describing the method has been published in the Journal of Computational Physics. To our knowledge this is the first numerical method which is capable of producing stable time-dependent solutions to the full 20 (or 16) moment set of transport equations, including the full heat flow equation. Previous attempts resulted in unstable (oscillating) solutions of the heat flow equations. Our group invested over two man-years into the development and implementation of the new method. The present model solves the 20 moment transport equations for an ion species and thermal electrons in 8 domain extending from a collision dominated to a collisionless region (200 km to 12,000 km). This model has been applied to study O+ acceleration due to Joule heating in the lower ionosphere.

Gombosi, Tamas↗

NASA NTRS1993

A spectral algorithm for envelope reduction of sparse matrices

A new algorithm for reducing the envelope of a sparse matrix is presented. This algorithm is based on the computation of eigenvectors of the Laplacian matrix associated with the graph of the sparse matrix. A reordering of the sparse matrix is determined based on the numerical values of the entries of an eigenvector of the Laplacian matrix. Numerical results show that the new reordering algorithm can in some cases reduce the envelope by more than a factor of two over the current standard algorithms such as Gibbs-Poole-Stockmeyer (GPS) or SPARSPAK's reverse Cuthill-McKee (RCM).

Barnard, Stephen T.↗

NASA NTRS1995

Expendable launch vehicle studies

Analytical support studies of expendable launch vehicles concentrate on the stability of the dynamics during launch especially during or near the region of maximum dynamic pressure. The in-plane dynamic equations of a generic launch vehicle with multiple flexible bending and fuel sloshing modes are developed and linearized. The information from LeRC about the grids, masses, and modes is incorporated into the model. The eigenvalues of the plant are analyzed for several modeling factors: utilizing diagonal mass matrix, uniform beam assumption, inclusion of aerodynamics, and the interaction between the aerodynamics and the flexible bending motion. Preliminary PID, LQR, and LQG control designs with sensor and actuator dynamics for this system and simulations are also conducted. The initial analysis for comparison of PD (proportional-derivative) and full state feedback LQR Linear quadratic regulator) shows that the split weighted LQR controller has better performance than that of the PD. In order to meet both the performance and robustness requirements, the H(sub infinity) robust controller for the expendable launch vehicle is developed. The simulation indicates that both the performance and robustness of the H(sub infinity) controller are better than that for the PID and LQG controllers. The modelling and analysis support studies team has continued development of methodology, using eigensensitivity analysis, to solve three classes of discrete eigenvalue equations. In the first class, the matrix elements are non-linear functions of the eigenvector. All non-linear periodic motion can be cast in this form. Here the eigenvector is comprised of the coefficients of complete basis functions spanning the response space and the eigenvalue is the frequency. The second class of eigenvalue problems studied is the quadratic eigenvalue problem. Solutions for linear viscously damped structures or viscoelastic structures can be reduced to this form. Particular attention is paid to Maxwell and Kelvin models. The third class of problems consists of linear eigenvalue problems in which the elements of the mass and stiffness matrices are stochastic. dynamic structural response for which the parameters are given by probabilistic distribution functions, rather than deterministic values, can be cast in this form. Solutions for several problems in each class will be presented.

Bainum, Peter M.↗

NASA NTRS1996

Visualization of 3-D tensor fields

Second-order tensor fields have applications in many different areas of physics, such as general relativity and fluid mechanics. The wealth of multivariate information in tensor fields makes them more complex and abstract than scalar and vector fields. Visualization is a good technique for scientists to gain new insights from them. Visualizing a 3-D continuous tensor field is equivalent to simultaneously visualizing its three eigenvector fields. In the past, research has been conducted in the area of two-dimensional tensor fields. It was shown that degenerate points, defined as points where eigenvalues are equal to each other, are the basic singularities underlying the topology of tensor fields. Moreover, it was shown that eigenvectors never cross each other except at degenerate points. Since we live in a three-dimensional world, it is important for us to understand the underlying physics of this world. In this report, we describe a new method for locating degenerate points along with the conditions for classifying them in three-dimensional space. Finally, we discuss some topological features of three-dimensional tensor fields, and interpret topological patterns in terms of physical properties.

Hesselink, L.↗

NASA NTRS1999

Aerodynamic and Aeroelastic Insights using Eigenanalysis

This paper presents novel analytical results for eigenvalues and eigenvectors produced using discrete time aerodynamic and aeroelastic models. An unsteady, incompressible vortex lattice aerodynamic model is formulated in discrete time; the importance of several modeling parameters is examined. A detailed study is made of the behavior of the aerodynamic eigenvalues both in discrete and continuous time. The aerodynamic model is then incorporated into aeroelastic equations of motion. Eigenanalyses of the coupled equations produce stability results and modal characteristics which are valid for critical and non-critical velocities. Insight into the modeling and physics associated with aeroelastic system behavior is gained by examining both the eigenvalues and the eigenvectors. Potential pitfalls in discrete time model construction and analysis are examined.

Heeg, Jennifer↗

NASA NTRS1995

A General Method for Solving Systems of Non-Linear Equations

The method of steepest descent is modified so that accelerated convergence is achieved near a root. It is assumed that the function of interest can be approximated near a root by a quadratic form. An eigenvector of the quadratic form is found by evaluating the function and its gradient at an arbitrary point and another suitably selected point. The terminal point of the eigenvector is chosen to lie on the line segment joining the two points. The terminal point found lies on an axis of the quadratic form. The selection of a suitable step size at this point leads directly to the root in the direction of steepest descent in a single step. Newton's root finding method not infrequently diverges if the starting point is far from the root. However, the current method in these regions merely reverts to the method of steepest descent with an adaptive step size. The current method's performance should match that of the Levenberg-Marquardt root finding method since they both share the ability to converge from a starting point far from the root and both exhibit quadratic convergence near a root. The Levenberg-Marquardt method requires storage for coefficients of linear equations. The current method which does not require the solution of linear equations requires more time for additional function and gradient evaluations. The classic trade off of time for space separates the two methods.

Nachtsheim, Philip R.↗

NASA NTRS2004

Aerodynamic and Aeroelastic Insights using Eigenanalysis

Heeg, Jennifer↗

NASA NTRS2011

Principal Component Noise Filtering for NAST-I Radiometric Calibration

The National Polar-orbiting Operational Environmental Satellite System (NPOESS) Airborne Sounder Testbed- Interferometer (NAST-I) instrument is a high-resolution scanning interferometer that measures emitted thermal radiation between 3.3 and 18 microns. The NAST-I radiometric calibration is achieved using internal blackbody calibration references at ambient and hot temperatures. In this paper, we introduce a refined calibration technique that utilizes a principal component (PC) noise filter to compensate for instrument distortions and artifacts, therefore, further improve the absolute radiometric calibration accuracy. To test the procedure and estimate the PC filter noise performance, we form dependent and independent test samples using odd and even sets of blackbody spectra. To determine the optimal number of eigenvectors, the PC filter algorithm is applied to both dependent and independent blackbody spectra with a varying number of eigenvectors. The optimal number of PCs is selected so that the total root-mean-square (RMS) error is minimized. To estimate the filter noise performance, we examine four different scenarios: apply PC filtering to both dependent and independent datasets, apply PC filtering to dependent calibration data only, apply PC filtering to independent data only, and no PC filters. The independent blackbody radiances are predicted for each case and comparisons are made. The results show significant reduction in noise in the final calibrated radiances with the implementation of the PC filtering algorithm.

Tian, Jialin↗

NASA NTRS2004

Automated Analysis, Classification, and Display of Waveforms

A computer program partly automates the analysis, classification, and display of waveforms represented by digital samples. In the original application for which the program was developed, the raw waveform data to be analyzed by the program are acquired from space-shuttle auxiliary power units (APUs) at a sampling rate of 100 Hz. The program could also be modified for application to other waveforms -- for example, electrocardiograms. The program begins by performing principal-component analysis (PCA) of 50 normal-mode APU waveforms. Each waveform is segmented. A covariance matrix is formed by use of the segmented waveforms. Three eigenvectors corresponding to three principal components are calculated. To generate features, each waveform is then projected onto the eigenvectors. These features are displayed on a three-dimensional diagram, facilitating the visualization of the trend of APU operations.

Kwan, Chiman↗

NASA NTRS2015

Principal Component Analysis of Thermographic Data

Principal Component Analysis (PCA) has been shown effective for reducing thermographic NDE data. While a reliable technique for enhancing the visibility of defects in thermal data, PCA can be computationally intense and time consuming when applied to the large data sets typical in thermography. Additionally, PCA can experience problems when very large defects are present (defects that dominate the field-of-view), since the calculation of the eigenvectors is now governed by the presence of the defect, not the "good" material. To increase the processing speed and to minimize the negative effects of large defects, an alternative method of PCA is being pursued where a fixed set of eigenvectors, generated from an analytic model of the thermal response of the material under examination, is used to process the thermal data from composite materials. This method has been applied for characterization of flaws.

Winfree, William P.↗

NASA NTRS2016

Substructure Versus Property-Level Dispersed Modes Calculation

This paper calculates the effect of perturbed finite element mass and stiffness values on the eigenvectors and eigenvalues of the finite element model. The structure is perturbed in two ways: at the "subelement" level and at the material property level. In the subelement eigenvalue uncertainty analysis the mass and stiffness of each subelement is perturbed by a factor before being assembled into the global matrices. In the property-level eigenvalue uncertainty analysis all material density and stiffness parameters of the structure are perturbed modified prior to the eigenvalue analysis. The eigenvalue and eigenvector dispersions of each analysis (subelement and property-level) are also calculated using an analytical sensitivity approximation. Two structural models are used to compare these methods: a cantilevered beam model, and a model of the Space Launch System. For each structural model it is shown how well the analytical sensitivity modes approximate the exact modes when the uncertainties are applied at the subelement level and at the property level.

Stewart, Eric C.↗

NASA NTRS2019

L2 Station Keeping Maneuver Strategy for the James Webb Space Telescope

The station-keeping plan for the James Webb Space Telescope is zero velocity in the x-component at the fourth successive crossing of the XZ plane of the rotation libration point frame. A differential corrector is employed to determine the necessary delta-v. Maneuvering along the position component of the stable eigenvector of the monodromy matrix produces a minimum delta-v solution. The techniques developed to determine the minimum maneuver direction in a full ephemeris model, along with strategies to cope with the attitude constraints imposed by the sunshield that prevents the ability to maneuver along the stable eigenvector, are examined in this study.

Libration Point Orbit↗

NASA NTRS2020

An Algorithm to Derive Temperature and Humidity Profile Changes Using Spatially and Temporally Averaged Spectral Radiance Differences

A linear inversion algorithm to derive changes of surface skin temperature and atmospheric temperature and specific humidity vertical profiles using spatially and temporally averaged spectral radiance differences is developed. The algorithm uses spectral radiative kernels, which is the top-of-atmosphere spectral radiance change caused by perturbations of skin temperature and air temperature and specific humidity in the atmosphere, and is an improved version of the algorithm used in earlier studies. Two improvements are the inclusion of the residual and cloud spectral kernels in the form of eigenvectors of principal components. Three and six eigenvectors are used for, respectively, the residual and cloud spectral kernels. An underlying assumption is that the spectral shape of the principal components is constant and their magnitude varies temporally and spatially. The algorithm is tested using synthetic spectral radiances with the spectral range of the Atmospheric Infrared Sounder averaged over 16 days and over a 10° × 10° grid box. Changes of skin temperature, air temperature, and specific humidity vertical profiles are derived from the difference of nadir-view all-sky spectral radiances. The root-mean-square difference of retrieved and true skin temperature differences is 0.59 K. The median of absolute errors in the air temperature change is less than 0.5 K above 925 hPa. The median of absolute errors in the relative specific humidity changes is less than 10% above 825 hPa.

Fang Pan↗

DOE OSTI2021

A Flexible Power Method for Solving Infinite Dimensional Tensor Eigenvalue Problems

We propose a flexible power method for computing the leftmost, i.e., algebraically smallest, eigenvalue of an infinite dimensional tensor eigenvalue problem, $H x = \lambda x$, where the infinite dimensional symmetric matrix $H$ exhibits a translational invariant structure. We assume the smallest eigenvalue of $H$ is simple and apply a power iteration of $e^{-H}$ with the eigenvector represented in a compact way as a translational invariant infinite Tensor Ring (iTR). Hence, the infinite dimensional eigenvector can be represented by a finite number of iTR cores of finite rank. In order to implement this power iteration, we use a small parameter $t$ so that the infinite matrix-vector operation $e^{-Ht}x$ can efficiently be approximated by the Lie product formula, also known as Suzuki--Trotter splitting, and we employ a low rank approximation through a truncated singular value decomposition on the iTR cores in order to keep the cost of subsequent power iterations bounded. We also use an efficient way for computing the iTR Rayleigh quotient and introduce a finite size iTR residual which is used to monitor the convergence of the Rayleigh quotient and to modify the timestep $t$. In this paper, we discuss 2 different implementations of the flexible power algorithm and illustrate the automatic timestep adaption approach for several numerical examples.

Beeumen, Roel Van↗

DOE OSTI2021

Dynamics of disordered mechanical systems with large connectivity, free probability theory, and quasi-Hermitian random matrices

Disordered mechanical systems with high connectivity represent a limit opposite to the more familiar case of disordered crystals. Individual ions in a crystal are subjected essentially to nearest-neighbor interactions. In contrast, the systems studied in this paper have all their degrees of freedom coupled to each other. Thus, the problem of linearized small oscillations of such systems involves two full positive-definite and non-commuting matrices, as opposed to the sparse matrices associated with disordered crystals. Consequently, the familiar methods for determining the averaged vibrational spectra of disordered crystals, introduced many years ago by Dyson and Schmidt, are inapplicable for highly connected disordered systems. In this paper we apply random matrix theory (RMT) to calculate the averaged vibrational spectra of such systems, in the limit of infinitely large system size. At the heart of our analysis lies a calculation of the average spectrum of the product of two positive definite random matrices by means of free probability theory techniques. We also show that this problem is intimately related with quasi-hermitian random matrix theory (QHRMT), which means that the ‘hamiltonian’ matrix is hermitian with respect to a non-trivial metric. This extends ordinary hermitian matrices, for which the metric is simply the unit matrix. The analytical results we obtain for the spectrum agree well with our numerical results. The latter also exhibit oscillations at the high-frequency band edge, which fit well the Airy kernel pattern. We also compute inverse participation ratios of the corresponding amplitude eigenvectors and demonstrate that they are all extended, in contrast with conventional disordered crystals. Finally, we compute the thermodynamic properties of the system from its spectrum of vibrations. In addition to matrix model analysis, we also study the vibrational spectra of various multi-segmented disordered pendula, as concrete realizations of highly connected mechanical systems. A universal feature of the density of vibration modes, common to both pendula and the matrix model, is that it tends to a non-zero constant at vanishing frequency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Model reduction methods for nuclear emulators

The field of model order reduction (MOR) is growing in importance due to its ability to extract the key insights from complex simulations while discarding computationally burdensome and superfluous information. We provide an overview of MOR methods for the creation of fast & accurate emulators of memory- and compute-intensive nuclear systems, focusing on eigen-emulators and variational emulators. As an example, we describe how 'eigenvector continuation' is a special case of a much more general and well-studied MOR formalism for parameterized systems. We continue with an introduction to the Ritz and Galerkin projection methods that underpin many such emulators, while pointing to the relevant MOR theory and its successful applications along the way. Here, we believe that this guide will open the door to broader applications in nuclear physics and facilitate communication with practitioners in other fields.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Sampling electronic structure quadratic unconstrained binary optimization problems (QUBOs) with Ocean and Mukai solvers

The most advanced D-Wave Advantage quantum annealer has 5000+ qubits, however, every qubit is connected to a small number of neighbors. As such, implementation of a fully-connected graph results in an order of magnitude reduction in qubit count. To compensate for the reduced number of qubits, one has to rely on special heuristic software such as qbsolv, the purpose of which is to decompose a large quadratic unconstrained binary optimization (QUBO) problem into smaller pieces that fit onto a quantum annealer. In this work, we compare the performance of the open-source qbsolv which is a part of the D-Wave Ocean tools and a new Mukai QUBO solver from Quantum Computing Inc. (QCI). The comparison is done for solving the electronic structure problem and is implemented in a classical mode (Tabu search techniques). The Quantum Annealer Eigensolver is used to map the electronic structure eigenvalue-eigenvector equation to a QUBO problem, solvable on a D-Wave annealer. We find that the Mukai QUBO solver outperforms the Ocean qbsolv with one to two orders of magnitude more accurate energies for all calculations done in the present work, both the ground and excited state calculations. This work stimulates the further development of software to assist in the utilization of modern quantum annealers.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Functional Principal Component Analysis of Radio–Optical Reference Frame Tie

The Gaia optical reference frame is intrinsically undefined with respect to global orientation and spin, so it needs to be anchored in the radio-based International Celestial Reference Frame (ICRF) to provide a referenced and quasi-inertial celestial coordinate system. The link between the two fundamental frames is realized through two samples of distant extragalactic sources, mostly active galactic nuclei and quasars, but only the smaller sample of radio-loud ICRF sources with optical counterparts is available to determine the mutual orientation. The robustness of this link can be mathematically formulated in the framework of functional principal component analysis using a set of vector spherical harmonics to represent the differences in celestial positions of the common objects. The weakest eigenvectors are computed, which describe the greatest deficiency of the link. The deficient or poorly determined terms are specific vector fields on the sphere that carry the largest errors of absolute astrometry using Gaia in reference to the ICRF. This analysis provides guidelines for the future development of the ICRF maximizing the accuracy of the link over the entire celestial sphere. A measure of the robustness of a least-squares solution, which can be applied to any linear model fitting problem, is introduced to help discriminate between reference frame tie models of different degrees.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗