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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1960

A Study of Some Factors Affecting Rolling-Contact Fatigue Life

A series of investigations using the fatigue spin rig to study the effect of several factors contributing to rolling contact fatigue life is summarized. Ball specimens of 1/2 and 9/16 inch diameter were tested at maximum theoretical Hertz compressive stresses in the range of 600,000 to 750,000 psi. Life was found to vary inversely with the tenth power of stress. In forging fiber studies, a greater concentration of failures and poorer life were observed where the greatest angle of intersection between the fiber flow lines and the surface occurred. This effect was independent of alloy composition. Higher lubricant viscosity was found to increase fatigue life, Lubricants having the same viscosity but of different base stock produced wide differences in life that correlated with the pressure viscosity coefficient of the lubricant. Higher temperature produced lower fatigue life. Dry powder lubricants produced poor fatigue life at 450 F; failure appearance indicated that the lubricant particles probably acted as minute stress raisers. In metallographic studies, nonmetallic inclusions were found to have a deleterious effect on fatigue life the inclusion size, location, composition, and condition of the matrix being contributing factors; failures were by shear cracking in the subsurface zone of maximum shear stress and eventual propagation into a shallow surface spall. Vacuum melting improved fatigue life, although a general correlation between cleanliness and fatigue life was not found. Life results for ten different bearing materials are presented.

Carter, Thomas L.↗
DOE OSTI2026

Linear complexity

We present factorization and solution phases for a new linear complexity direct solver designed for concurrent batch operations on fine-grained parallel architectures, for matrices amenable to hierarchical representation. We focus on the strong-admissibility-based $\mathscr{H}^{2}$ format, where strong recursive skeletonization factorization compresses remote interactions. We build upon previous implementations of $\mathscr{H}^{2}$ matrix construction for efficient factorization and solution algorithm design, which are illustrated graphically in stepwise detail. The algorithms are ‘blackbox’ in the sense that the only inputs are the matrix and right-hand side, without analytical or geometrical information about the origin of the system. We demonstrate linear complexity scaling in both time and memory on four representative families of dense matrices up to one million in size. Parallel scaling up to 16 threads is enabled by a multi-level matrix graph coloring and avoidance of dynamic memory allocations thanks to prefix-sum memory management. An experimental backward error analysis is included. We break down the timings of different phases, identify phases that are memory-bandwidth limited, and discuss alternatives for phases that may be sensitive to the trend to employ lower precisions for performance.

Boukaram, Wajih↗
DOE OSTI2025

LuGo: An enhanced quantum phase estimation implementation

Quantum Phase Estimation (QPE) is a cardinal algorithm in quantum computing that plays a crucial role in various applications, including cryptography, molecular simulation, and solving systems of linear equations. However, the standard implementation of QPE faces challenges related to time complexity and circuit depth, which limit its practicality for large-scale computations. We introduce LuGo, a novel framework designed to enhance the performance of QPE by reducing circuit duplication, as well as using parallelization techniques to achieve faster generation of the QPE circuit and gate reduction. We validate the effectiveness of our framework by generating quantum linear solver circuits, which require both QPE and inverse QPE, to solve linear systems of equations. LuGo achieves significant improvements in both computational efficiency and hardware requirements without compromising on accuracy. Compared to a standard QPE implementation, LuGo reduces time consumption to generate a circuit that solves a 2 6 × 2 6 system matrix by a factor of 50.68 and over 31× reduction of quantum gates and circuit depth, with no fidelity loss on an ideal quantum simulator. Furthermore, we demonstrated the versatility and scalability of LuGo enabled HHL algorithm by simulating a canonical Hele-Shaw fluid problem using a quantum simulator. With these advantages, LuGo paves the way for more efficient implementations of QPE, enabling broader applications across several quantum computing domains.

Quantum algorithm↗
DOE OSTI2025

Operator dynamics in Floquet many-body systems

We study operator dynamics in many-body quantum systems, focusing on generic features of systems that are ergodic, spatially extended, and lack conserved densities. Quantum circuits of various types provide simple models for such systems. We focus on Floquet quantum circuits, comparing their behavior with what has been found previously for circuits that are random in time. Floquet circuits, which have discrete time-translation symmetry, represent an intermediate case between circuits that are random in time and lack any symmetry, and systems with a time-independent Hamiltonian and continuous time-translation invariance. By making this comparison, one of our aims is to identify signatures of time-translation symmetry in Floquet operator dynamics. To characterize behavior we examine a variety of quantities in solvable models and numerically: operator autocorrelation functions; the partial spectral form factor; the out-of-time-order correlator (OTOC); and the paths in operator space that make the dominant contributions to the ensemble-averaged autocorrelation functions. Our most striking result is that ensemble-averaged autocorrelation functions show behavior that is distinctively different in Floquet systems compared to systems in which successive time-steps are independent. Specifically, while average autocorrelation functions decay on a microscopic timescale for circuits that are random in time, in Floquet systems they have a late-time tail with a duration that grows parametrically with the size of the operator support. In the simplest models this tail is separated from the initial decay by a minimum, so that the average autocorrelation function has an intermediate-time peak. The existence of these tails provides a way to understand deviations of the spectral form factor from random matrix behavior at times shorter than the Thouless time. In contrast to this feature in autocorrelation functions, we find no new aspects to the behavior of OTOCs for Floquet models compared to random-in-time circuits. We show that this difference between averaged autocorrelation functions and OTOCs can be understood in terms of the paths in operator space that contribute to the two quantities: paths for the former retain a limited support at late times, while paths for the latter are dominated by operator spreading. Published by the American Physical Society 2025

Yoshimura, Takato (ORCID:0000000309159846)↗
DOE OSTI2023

Iterated Gauss-Seidel GMRES

The GMRES algorithm of Saad and Schultz [SIAM J. Sci. Stat. Comput., 7 (1986), pp. 856-869] is an iterative method for approximately solving linear systems Ax = b, with initial guess x0 and residual r0 = b Ax0. The algorithm employs the Arnoldi process to generate the Krylov basis vectors (the columns of Vk ). It is well known that this process can be viewed as a QR factorization of the matrix Bk = [r0, AVk] at each iteration. Despite an O (..epsilon..)..kappa.. (Bk ) loss of orthogonality, for unit roundoff ..epsilon..and condition number ..kappa.. , the modified Gram-Schmidt formulation was shown to be backward stable in the seminal paper by Paige et al. [SIAM J. Matrix Anal.Appl., 28 (2006), pp. 264-284]. We present an iterated Gauss-Seidel formulation of the GMRES algorithm (IGS-GMRES) based on the ideas of Ruhe [Linear Algebra Appl., 52 (1983), pp. 591-601] and Swirydowicz et al. [Numer. Linear Algebra Appl., 28 (2020), pp. 1-20]. IGS-GMRES maintains orthogonality to the level O (..epsilon..)..kappa.. (Bk ) or O (..epsilon..), depending on the choice of one or two iterations; for two Gauss-Seidel iterations, the computed Krylov basis vectors remain orthogonal to working accuracy and the smallest singular value of Vk remains close to one. The resulting GMRES method is thus backward stable. We show that IGS-GMRES can be implemented with only a single synchronization point per iteration, making it relevant to large-scale parallel computing environments. We also demonstrate that, unlike MGS-GMRES, in IGS-GMRES the relative Arnoldi residual corresponding to the computed approximate solution no longer stagnates above machine precision even for highly nonnormal systems.

Arnoldi-QR↗
DOE OSTI2022

Building a Framework to Understand Transition Metals' Behavior in Euxinic Conditions (Final Technical Report)

This project focuses first and foremost on metal sulfide geochemistry and mineralogy as controlled by a complex matrix of environmental factors. The principal investigator’s group aim to illuminate the metal-sulfide reaction mechanisms, rates, and pathways through systematic experimentation and data collection and analyzing the relationships between the characteristics of the produced metal sulfide solid-phase/aqueous complexes and the environmental factors. This understanding is essential for obtaining a full picture of the complex cycling patterns of single or multi metal species in sulfidic environments ranging from deep-see basins, hydrothermal vents, inland seas, terrestrial water bodies, to engineered remediation systems. The specific goal of this past project was to illuminate the reaction mechanisms and kinetics of metal anions and sulfide in mixed metal cation-metal anion-sulfide systems under various aqueous conditions (which resembled a range of naturally occurring euxinic settings). For the period of this contract, we investigated the molybdenum-iron-sulfide system, with an emphasis on the conditions that caused solid phase formation. We focused on quantifying the mobility/sequestration of molybdenum under each experimental condition and identified the changes of valence states for each involved element (i.e., Mo, Fe, and S) in the precipitate. We also proposed pathways for the electron transfer that occurred in aqueous chemistry. The major analytical tools used for this study include UV-visible light spectroscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and synchrotron-based X-ray absorption spectroscopy (access gained through facility proposals to the Canadian Light Source). The biggest finding of this project was that besides pH, the iron-sulfur chemistry has a dominant control of the thiolation kinetics and subsequent reduction of Mo(VI), which are likely prerequisites of molybdenum sequestration in anoxic conditions. The results have been written up as manuscript by the end of this project (see Phillips et al.). The experimental results of this project may be critical for advancing our understanding of (1) basic chemistry involving transition metals and reduced sulfur species, (2) the validity of certain geochemical proxies, and (3) the stability and evolution of euxinic geochemical environments. It is noted that the basic results obtained through this project also have implications for Mo-S cluster-based catalyst development in inorganic chemistry and materials sciences.

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

A Latent-Variable Formulation of the Poisson Canonical Polyadic Tensor Model: Maximum Likelihood Estimation and Fisher Information

We establish parameter inference for the Poisson canonical polyadic (PCP) tensor model through a latent-variable formulation. Our approach exploits the observation that any random PCP tensor can be derived by marginalizing an unobservable random tensor of one dimension larger. The loglikelihood of this larger dimensional tensor, referred to as the “complete” loglikelihood, is comprised of multiple rank one PCP loglikelihoods. Using this methodology, we first derive maximum likelihood estimators for the PCP model and demonstrate that several existing algorithms for fitting non-negative matrix and tensor factorizations are Expectation-Maximization algorithms. Next, we derive the observed and expected Fisher information matrices for the PCP model. The Fisher information provides us crucial insights into the well-posedness of the tensor model, such as the role that tensor rank plays in identifiability and indeterminacy. For the special case of rank one PCP models, we demonstrate that these results are greatly simplified.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

Generalized radiation impedances and reflection coefficients of circular and annular ducts

Morse's equation for the radiation impedance of a vibrating rigid piston is extended to give the generalized radiation impedances of all modes in circular and annular ducts which have arbitrary wall admittance and which terminate in an infinite baffle. The extended equation is reduced to a single infinite integral which is a function of the mode radiation directivity factors. An infinite matrix equation is derived which relates the generalized mode reflection coefficients to the radiation impedances. Results are presented which show that the duct-wall admittance is a significant parameter in the effect of duct-determination reflections and that mode-coupling reflection effects may be more important than direct-mode reflection effects.

Zorumski, W. E.↗
NASA NTRS1980

Light scattering by randomly oriented spheroidal particles

A study of the light scattering properties of randomly oriented, identical spheroidal particles is presented. A computation method was developed to integrate the Asano and Yamomoto solution (1975) for scattering from a homogeneous spheroid over all particle orientations; the extinction and scattering cross-sections, the asymmetry factor, and scattering matrix elements are calculated for randomly oriented prolate and oblate spheroids and compared with the calculations for spheres and laboratory measurements. The angular scattering behavior of spheroids is found to be different from that of the spheres for side scattering to backscattering directions, and prolate and oblate spheroids of the same shape parameter have similar angular scattering patterns.

Asano, S.↗
NASA NTRS1989

Composite blade structural analyzer (COBSTRAN) user's manual

The installation and use of a computer code, COBSTRAN (COmposite Blade STRuctrual ANalyzer), developed for the design and analysis of composite turbofan and turboprop blades and also for composite wind turbine blades was described. This code combines composite mechanics and laminate theory with an internal data base of fiber and matrix properties. Inputs to the code are constituent fiber and matrix material properties, factors reflecting the fabrication process, composite geometry and blade geometry. COBSTRAN performs the micromechanics, macromechanics and laminate analyses of these fiber composites. COBSTRAN generates a NASTRAN model with equivalent anisotropic homogeneous material properties. Stress output from NASTRAN is used to calculate individual ply stresses, strains, interply stresses, thru-the-thickness stresses and failure margins. Curved panel structures may be modeled providing the curvature of a cross-section is defined by a single value function. COBSTRAN is written in FORTRAN 77.

Aiello, Robert A.↗
NASA NTRS1989

Composite Blade Structural Analyzer (COBSTRAN) theoretical/programmer's manual

This manual describes the organization and flow of data and analysis in the computer code, COBSTRAN (COmposite Blade STRuctural ANalyzer). This code combines composite mechanics and laminate theory with an internal data base of fiber and matrix properties and was developed for the design and analysis of composite turbofan and turboprop blades and composite wind turbine blades. Inputs to the code are constituent fiber and matrix material properties, factors reflecting the fabrication process, composite geometry and blade geometry. COBSTRAN performs the micromechanics and laminate analyses of these fiber composites and generates a NASTRAN finite element model of the blade. This manual describes the equations formulated and solved in the code and the function of each of the seventy-two subroutines. COBSTRAN is written in FORTRAN 77.

Aiello, Robert A.↗
NASA NTRS1992

A non-linearly stable implicit finite element algorithm for hypersonic aerodynamics

A generalized curvilinear coordinate Taylor weak statement implicit finite element algorithm is developed for the two-dimensional and axisymmetric compressible Navier-Stokes equations for ideal and reacting gases. For accurate hypersonic simulation, air is modeled as a mixture of five perfect gases, i.e., molecular and atomic oxygen and nitrogen as well as nitric oxide. The associated pressure is then determined via Newton solution of the classical chemical equilibrium equation system. The directional semidiscretization is achieved using an optimal metric data Galerkin finite element weak statement, on a developed 'companion conservation law system', permitting classical test and trial space definitions. Utilizing an implicit Runge-Kutta scheme, the terminal algorithm is then nonlinearly stable, and second-order accurate in space and time on arbitrary curvilinear coordinates. Subsequently, a matrix tensor product factorization procedure permits an efficient numerical linear algebra handling for large Courant numbers. For ideal- and real-gas hypersonic flows, the algorithm generates essentially nonoscillatory numerical solutions in the presence of strong detached shocks and boundary layer-inviscid flow interactions.

Iannelli, G. S.↗
NASA NTRS1993

Extending substructure based iterative solvers to multiple load and repeated analyses

Direct solvers currently dominate commercial finite element structural software, but do not scale well in the fine granularity regime targeted by emerging parallel processors. Substructure based iterative solvers--often called also domain decomposition algorithms--lend themselves better to parallel processing, but must overcome several obstacles before earning their place in general purpose structural analysis programs. One such obstacle is the solution of systems with many or repeated right hand sides. Such systems arise, for example, in multiple load static analyses and in implicit linear dynamics computations. Direct solvers are well-suited for these problems because after the system matrix has been factored, the multiple or repeated solutions can be obtained through relatively inexpensive forward and backward substitutions. On the other hand, iterative solvers in general are ill-suited for these problems because they often must restart from scratch for every different right hand side. In this paper, we present a methodology for extending the range of applications of domain decomposition methods to problems with multiple or repeated right hand sides. Basically, we formulate the overall problem as a series of minimization problems over K-orthogonal and supplementary subspaces, and tailor the preconditioned conjugate gradient algorithm to solve them efficiently. The resulting solution method is scalable, whereas direct factorization schemes and forward and backward substitution algorithms are not. We illustrate the proposed methodology with the solution of static and dynamic structural problems, and highlight its potential to outperform forward and backward substitutions on parallel computers. As an example, we show that for a linear structural dynamics problem with 11640 degrees of freedom, every time-step beyond time-step 15 is solved in a single iteration and consumes 1.0 second on a 32 processor iPSC-860 system; for the same problem and the same parallel processor, a pair of forward/backward substitutions at each step consumes 15.0 seconds.

Farhat, Charbel↗
NASA NTRS1995

An efficiency study of the simultaneous analysis and design of structures

The efficiency of the Simultaneous Analysis and Design (SAND) approach in the minimum weight optimization of structural systems subject to strength and displacement constraints as well as size side constraints is investigated. SAND allows for an optimization to take place in one single operation as opposed to the more traditional and sequential Nested Analysis and Design (NAND) method, where analyses and optimizations alternate. Thus, SAND has the advantage that the stiffness matrix is never factored during the optimization retaining its original sparsity. One of SAND's disadvantages is the increase in the number of design variables and in the associated number of constraint gradient evaluations. If SAND is to be an acceptable player in the optimization field, it is essential to investigate the efficiency of the method and to present a possible cure for any inherent deficiencies.

Striz, Alfred G.↗
NASA NTRS1990

A Shifted Block Lanczos Algorithm 1: The Block Recurrence

In this paper we describe a block Lanczos algorithm that is used as the key building block of a software package for the extraction of eigenvalues and eigenvectors of large sparse symmetric generalized eigenproblems. The software package comprises: a version of the block Lanczos algorithm specialized for spectrally transformed eigenproblems; an adaptive strategy for choosing shifts, and efficient codes for factoring large sparse symmetric indefinite matrices. This paper describes the algorithmic details of our block Lanczos recurrence. This uses a novel combination of block generalizations of several features that have only been investigated independently in the past. In particular new forms of partial reorthogonalization, selective reorthogonalization and local reorthogonalization are used, as is a new algorithm for obtaining the M-orthogonal factorization of a matrix. The heuristic shifting strategy, the integration with sparse linear equation solvers and numerical experience with the code are described in a companion paper.

Grimes, Roger G.↗
NASA NTRS2003

Calculation of Free-Free Opacities

Free-free absorption is an important contribution to the opacity for radiation transport through hot materials Temperatures can be as high as several keV, such that it becomes a computational challenge to solve the Schrodinger equation efficiently for rapidly oscillating continuum functions for high angular momenta. Several groups\footnots, including ours, have studied the phase amplitude solution (PAS) of the Schrodinger equation, in which one solves equations for the wave function amplitude and phase, which are: smooth functions of the electron energy. It is also important to have an accurate Schroudinger benchmark for the development of the PAS method. We present results for dipole matrix elements, Gaunt factors, and cross sections for the absorption of radiation at various energies for Cs XIX at temperature=100 eV and density=0.187 g/cc for our newly developed PAS and Schrodinger benchmark.

Bhatia, A. K.↗
NASA NTRS2000

Shape-dependent control of cell growth, differentiation, and apoptosis: switching between attractors in cell regulatory networks

Development of characteristic tissue patterns requires that individual cells be switched locally between different phenotypes or "fates;" while one cell may proliferate, its neighbors may differentiate or die. Recent studies have revealed that local switching between these different gene programs is controlled through interplay between soluble growth factors, insoluble extracellular matrix molecules, and mechanical forces which produce cell shape distortion. Although the precise molecular basis remains unknown, shape-dependent control of cell growth and function appears to be mediated by tension-dependent changes in the actin cytoskeleton. However, the question remains: how can a generalized physical stimulus, such as cell distortion, activate the same set of genes and signaling proteins that are triggered by molecules which bind to specific cell surface receptors. In this article, we use computer simulations based on dynamic Boolean networks to show that the different cell fates that a particular cell can exhibit may represent a preprogrammed set of common end programs or "attractors" which self-organize within the cell's regulatory networks. In this type of dynamic network model of information processing, generalized stimuli (e.g., mechanical forces) and specific molecular cues elicit signals which follow different trajectories, but eventually converge onto one of a small set of common end programs (growth, quiescence, differentiation, apoptosis, etc.). In other words, if cells use this type of information processing system, then control of cell function would involve selection of preexisting (latent) behavioral modes of the cell, rather than instruction by specific binding molecules. Importantly, the results of the computer simulation closely mimic experimental data obtained with living endothelial cells. The major implication of this finding is that current methods used for analysis of cell function that rely on characterization of linear signaling pathways or clusters of genes with common activity profiles may overlook the most critical features of cellular information processing which normally determine how signal specificity is established and maintained in living cells. Copyright 2000 Academic Press.

Review↗
NASA NTRS2008

Comparison of Nonlinear Filtering Techniques for Lunar Surface Roving Navigation

Leading up to the Apollo missions the Extended Kalman Filter, a modified version of the Kalman Filter, was developed to estimate the state of a nonlinear system. Throughout the Apollo missions, Potter's Square Root Filter was used for lunar navigation. Now that NASA is returning to the Moon, the filters used during the Apollo missions must be compared to the filters that have been developed since that time, the Bierman-Thornton Filter (UD) and the Unscented Kalman Filter (UKF). The UD Filter involves factoring the covariance matrix into UDUT and has similar accuracy to the Square Root Filter; however it requires less computation time. Conversely, the UKF, which uses sigma points, is much more computationally intensive than any of the filters; however it produces the most accurate results. The Extended Kalman Filter, Potter's Square Root Filter, the Bierman-Thornton UD Filter, and the Unscented Kalman Filter each prove to be the most accurate filter depending on the specific conditions of the navigation system.

Kimber, Lemon↗