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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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NASA NTRS1987

Approximations to eigenvalues of modified general matrices

The reanalysis of non-self-adjoint dynamic models is computationally very expensive in design optimization applications. This paper describes several approximations that can be applied to eigenvalues of non-hermitian matrices to reduce that computational cost. Approximations based on eigenvalue derivatives, generalized Rayleigh quotient and the trace theorem are presented and their accuracy and computational cost are estimated. The accuracy and cost estimates are verified by applying the approximations to random matrices and matrices arising in flutter analysis of compressor blades. Recommendations are made for selection of the best approximation when the derivatives are available and when they are not. In particular, it is concluded that the quadratic approximation for eigenvalues should never be used as higher order approximations are always more accurate as well as more efficient.

Murthy, Durbha V.↗
DOE OSTI2024

Solving the homogeneous Bethe-Salpeter equation with a quantum annealer

The homogeneous Bethe-Salpeter equation (hBSE), describing a bound system in a genuinely relativistic quantum-field theory framework, was solved for the first time by using a D-Wave quantum annealer. After applying standard techniques of discretization, the hBSE, in ladder approximation, can be formally transformed in a generalized eigenvalue problem (GEVP), with two square matrices: one symmetric and the other nonsymmetric. The latter matrix poses the challenge of obtaining a suitable formal approach for investigating the GEVP by means of a quantum annealer, i.e., to recast it as a quadratic unconstrained binary optimization problem. A broad numerical analysis of the proposed algorithms, applied to matrices of dimension up to 64, was carried out by using both the simulated-annealing package and the D-Wave . The numerical results very nicely compare with those obtained with standard classical algorithms, and also show interesting scalability features. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Multireference Equation-of-Motion Driven Similarity Renormalization Group: Theoretical Foundations and Applications to Ionized States

We present a formulation and implementation of an equation-of-motion (EOM) extension of the multireference driven similarity renormalization group (MR-DSRG) formalism for ionization potentials (IP-EOM-DSRG). The IP-EOM-DSRG formalism results in a Hermitian generalized eigenvalue problem, delivering accurate ionization potentials for strongly correlated systems. The EOM step scales as O(N 5 ) with the basis set size N, allowing for efficient calculation of spectroscopic properties, such as transition energies and intensities. The IP-EOM-DSRG formalism is combined with three truncation schemes of the parent MR-DSRG theory: an iterative nonperturbative method with up to two-body excitations [MR-LDSRG(2)] and second- and third-order perturbative approximations [DSRG-MRPT2/3]. We benchmark these variants by computing (1) the vertical valence ionization potentials of a series of small molecules at both equilibrium and stretched geometries; (2) the spectroscopic constants of several low-lying electronic states of the OH, CN, N 2 + , and CO + radicals; and (3) the binding curves of low-lying electronic states of the CN radical. A comparison with experimental data and theoretical results shows that all three IP-EOM-DSRG methods accurately reproduce the vertical ionization potentials and spectroscopic constants of these systems. Notably, the DSRG-MRPT3 and MR-LDSRG(2) versions outperform several state-of-the-art multireference methods of comparable or higher cost.

Hamiltonians↗
DOE OSTI2024

Unleashed from constrained optimization: quantum computing for quantum chemistry employing generator coordinate inspired method

Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized eigenvalue problems through the Unitary Coupled Cluster (UCC) excitation generators. Inspired by the generator coordinate method, we employ these UCC excitation generators to construct non-orthogonal, overcomplete many-body bases, projecting the system Hamiltonian into an effective Hamiltonian, which bypasses issues such as barren plateaus that heuristic numerical minimizers often encountered in standard variational quantum eigensolver (VQE). Diverging from conventional quantum subspace expansion methods, we introduce an adaptive scheme that robustly constructs the many-body basis sets from a pool of the UCC excitation generators. This scheme supports the development of a hierarchical ADAPT quantum-classical strategy, enabling a balanced interplay between subspace expansion and ansatz optimization to address complex, strongly correlated quantum chemical systems cost-effectively, setting the stage for more advanced quantum simulations in chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Lattice QCD Study of Pion Electroproduction and Weak Production from a Nucleon

Quantum fluctuations in QCD influence nucleon structure and interactions, with pion production serving as a key probe of chiral dynamics. In this Letter, we present a lattice QCD calculation of multipole amplitudes at threshold, related to both pion electroproduction and weak production from a nucleon, using two gauge ensembles near the physical pion mass. We develop a technique for spin projection and construct multiple operators for analyzing the generalized eigenvalue problem in both the nucleon-pion system in the center-of-mass frame and the nucleon system with nonzero momentum. The numerical lattice results are then compared with those extracted from experimental data and predicted by low-energy theorems incorporating one-loop corrections. Published by the American Physical Society 2025

Gao, Yu-Sheng (ORCID:0009000406829247)↗
NASA NTRS1971

Modal analysis computer program package

Modal analysis computer program package for finding frequencies and mode shapes of any linear discrete system governed by generalized eigenvalue equation

Mather, D. L.↗
NASA NTRS1978

Digital controller design: Analysis of the annular suspension pointing system

The analog controllers of the annular suspension pointing system are designed for control of the chi, phi sub 1, and phi sub 2 bandwidth dynamics through decoupling and pole placement. Since it is virtually impossible to find an equivalent bandwidth of the overall system and establish a general eigenvalue requirement for the system, the subsystem dynamics are decoupled through state feedback and the poles are placed simultaneously to realize the desired bandwidths for the three system components. Decoupling and pole placement are also used to design the closed-loop digital system through approximation.

Kuo, B. C.↗
NASA NTRS1979

Linear state feedback, quadratic weights, and closed loop eigenstructures

Results are given on the relationships between closed loop eigenstructures, state feedback gain matrices of the linear state feedback problem, and quadratic weights of the linear quadratic regulator. Equations are derived for the angles of general multivariable root loci and linear quadratic optimal root loci, including angles of departure and approach. The generalized eigenvalue problem is used for the first time to compute angles of approach. Equations are also derived to find the sensitivity of closed loop eigenvalues and the directional derivatives of closed loop eigenvectors (with respect to a scalar multiplying the feedback gain matrix or the quadratic control weight). An equivalence class of quadratic weights that produce the same asymptotic eigenstructure is defined, sufficient conditions to be in it are given, a canonical element is defined, and an algorithm to find it is given. The behavior of the optimal root locus in the nonasymptotic region is shown to be different for quadratic weights with the same asymptotic properties.

Thompson, P. M.↗
NASA NTRS1980

Analysis techniques for multivariate root loci

Analysis and techniques are developed for the multivariable root locus and the multivariable optimal root locus. The generalized eigenvalue problem is used to compute angles and sensitivities for both types of loci, and an algorithm is presented that determines the asymptotic properties of the optimal root locus.

Thompson, P. M.↗
NASA NTRS1980

Linear state feedback, quadratic weights, and closed loop eigenstructures

Equations are derived for the angles of general multivariable root loci and linear quadratic optimal root loci, including angles of departure and approach. The generalized eigenvalue problem is used to compute angles of approach. Equations are also derived to find the sensitivity of closed loop eigenvalue and the directional derivatives of closed loop eigenvectors. An equivalence class of quadratic weights that produce the same asymptotic eigenstructure is defined, a canonical element is defined, and an algorithm to find it is given. The behavior of the optimal root locus in the nonasymptotic region is shown to be different for quadratic weights with the same asymptotic properties. An algorithm is presented that can be used to select a feedback gain matrix for the linear state feedback problem which produces a specified asymptotic eigenstructure. Another algorithm is given to compute the asymptotic eigenstructure properties inherent in a given set of quadratic weights. Finally, it is shown that optimal root loci for nongeneric problems can be approximated by generic ones in the nonasymptotic region.

Thompson, P. M.↗
NASA NTRS1980

Neutral stability calculations for boundary-layer flows

An analysis is presented of the parallel neutral stability of three-dimensional incompressible, isothermal boundary-layer flows. A Taylor-series expansion of the dispersion relation is used to derive the general eigenvalues. These equations are functions of the complex group velocity. These relations are verified by numerical results obtained for two- and three-dimensional disturbances in two- and three-dimensional flows.

Nayfeh, A. H.↗
NASA NTRS1982

Angles of multivariable root loci

A generalized eigenvalue problem is demonstrated to be useful for computing the multivariable root locus, particularly when obtaining the arrival angles to finite transmission zeros. The multivariable root loci are found for a linear, time-invariant output feedback problem. The problem is then employed to compute a closed-loop eigenstructure. The method of computing angles on the root locus is demonstrated, and the method is extended to a multivariable optimal root locus.

Thompson, P. M.↗
NASA NTRS1984

Computation of eigenpairs of Ax = lambda Bx for vibrations of spinning deformable bodies

It is shown that, when linear theory is used, the general eigenvalue problem related with the free vibrations of spinning deformable bodies is of the type AX = lambda Bx, where A is Hermitian, and B is real positive definite. Since the order n of the matrices may be large, and A and B are banded or block banded, due to the economics of the numerical solution, one is interested in obtaining only those eigenvalues which fall within the frequency band of interest of the problem. The paper extends the well known method of bisections and iteration of R to the n power to n dimensional complex spaces, i.e., to C to the n power, so that it can be applied to the present problem.

Utku, S.↗
NASA NTRS1987

Stability of viscous flow past a circular cylinder

A spectral method which employs trigonometric functions and Chebyshev polynomials is used to compute the steady, incompressible laminar flow past a circular cylinder. Linear stability methods are used to formulate a pair of decoupled generalized eigenvalue problems for the growth of symmetric and asymmetric (about the dividing streamline) perturbations. It is shown that, while the symmetric disturbances are stable, the asymmetric perturbations become unstable at a Reynolds number about 40 with a Strouhal number about 0.12. The critical conditions are found to depend on the size of the computational domain in a manner similar to that observed in the laboratory.

Zebib, A.↗
NASA NTRS1989

Computation of canonical correlation and best predictable aspect of future for time series

The canonical correlation between the (infinite) past and future of a stationary time series is shown to be the limit of the canonical correlation between the (infinite) past and (finite) future, and computation of the latter is reduced to a (generalized) eigenvalue problem involving (finite) matrices. This provides a convenient and essentially, finite-dimensional algorithm for computing canonical correlations and components of a time series. An upper bound is conjectured for the largest canonical correlation.

Pourahmadi, Mohsen↗
NASA NTRS1989

Bunch-Kaufman factorization for real symmetric indefinite banded matrices

The Bunch-Kaufman algorithm for factoring symmetric indefinite matrices was rejected for banded matrices because it destroys the banded structure of the matrix. Herein, it is shown that for a subclass of real symmetric matrices which arise in solving the generalized eigenvalue problem using Lanczos's method, the Bunch-Kaufman algorithm does not result in major destruction of the bandwidth. Space time complexities of the algorithm are given and used to show that the Bunch-Kaufman algorithm is a significant improvement over LU factorization.

Jones, Mark T.↗
NASA NTRS1990

Accurate calculation and instability of supersonic wake flows

This study is concerned with the computation and linear stability of a class of laminar compressible wake flows. The emphasis is on correct basic flow profiles that satisfy the steady equations of motion, and to this end the unperturbed state is obtained through numerical integration of the compressible boundary-layer equations. The linear stability of the flow is examined via the Rayleigh equation that describes evolution of inviscid disturbances. Analytical results are given for short- and long-wavelength disturbances and some numerical results of the general eigenvalue problem are also reported.

Papageorgiou, Demetrius T.↗
NASA NTRS1990

SIAM Conference on Parallel Processing for Scientific Computing, 4th, Chicago, IL, Dec. 11-13, 1989, Proceedings

Attention is given to such topics as an evaluation of block algorithm variants in LAPACK and presents a large-grain parallel sparse system solver, a multiprocessor method for the solution of the generalized Eigenvalue problem on an interval, and a parallel QR algorithm for iterative subspace methods on the CM2. A discussion of numerical methods includes the topics of asynchronous numerical solutions of PDEs on parallel computers, parallel homotopy curve tracking on a hypercube, and solving Navier-Stokes equations on the Cedar Multi-Cluster system. A section on differential equations includes a discussion of a six-color procedure for the parallel solution of elliptic systems using the finite quadtree structure, data parallel algorithms for the finite element method, and domain decomposition methods in aerodynamics. Topics dealing with massively parallel computing include hypercube vs. 2-dimensional meshes and massively parallel computation of conservation laws. Performance and tools are also discussed.

Dongarra, Jack↗