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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Nonperturbative methods in HZE propagation

An analytical solution to the perturbative multiple collision series of a fragmenting HZE ion beam has limited usefulness since the first collision term has several hundred contributions, the second collision term has tens of thousands of contributions, and each successive collision term progresses to unwieldy computational proportions. Our previous work has revealed the multiple collision terms in the straight-ahead approximation to be simple products of a spatially dependent factor times a linear energy-dependent factor of limited domain and unit normalization. The properties of these forms allow the development of the nonperturbative summation of the series to all orders assuming energy-independent nuclear cross sections as matrix products of a scaled Green's function described herein. This nonperturbative Green's function with multiple scattering correction factors compares well with experiments using 670 MeV/u neon-20 ion beams in thick water targets.

Non-NASA Center↗
NASA NTRS1992

Scattering from dielectric structures above impedance surfaces and resistive sheets

Interest in understanding of electromagnetic interaction with rough surfaces has prompted the study of scattering from typical dielectric humps over impedance surfaces. It is shown that the Green's function of the problem for a resistive sheet resembles that of the impedance surface. Hence both problems are considered here. A numerical solution for the scattered field of a two-dimensional dielectric object, possibly inhomogeneous, with arbitrary cross section above the impedance surface or resistive sheet is sought. First the Green's function of the problem is derived based on the exact image theory. This form of the Green's function is amenable to numerical computation. Then the induced polarization currents are calculated by casting the integral equations into a matrix equation via the method of moments. Numerical problems in calculation of the Green's function when both source and observation points are close to the surface are discussed. Comparison of numerical results with a perturbation solution shows excellent agreement between the two methods.

Sarabandi, Kamal↗
NASA NTRS1977

A perturbation solution for interlaminar stresses in bidirectional laminates

The paper considers a thin elastic bidirectional symmetric composite laminate subjected to a uniform axial strain. All interlaminar stresses are determined by a zeroth-order perturbation analysis of the governing equations. The method of solution considers the laminate to be composed of an interior region (removed from the free edge) and a boundary layer region. The interior region is analyzed by dropping terms related to powers of the thickness-to-width ratio in the dimensionless elasticity equations. The boundary layer region is studied by introducing a stretching transformation to the governing equations. A uniform solution is then formed by satisfying Prandtl's matching principle of perturbation theory. Results for a four-layer bidirectional graphite-epoxy laminate are compared with existing finite-difference results. It is shown that the perturbation analysis provides more insight into the stress distribution near the free edge.

Hsu, P. W.↗
NASA NTRS1955

Stress analysis of circular semimonocoque cylinders with cutouts

A method is presented for analyzing the stresses about cutouts in circular semimonocoque cylinders with flexible rings. The method involves the use of so-called perturbation stress distributions which are superposed on the stress distribution that would exist in the structure with no cutout in such a way as to give the effects of a cutout. The method can be used for any loading case for which the structure without the cutout can be analyzed and is sufficiently versatile to account for stringer and shear reinforcement about the cutout.

Mccomb, Harvey G , Jr↗
DOE OSTI2021

Predicting Metabolic Reaction Networks with Perturbation-Theory Machine Learning (PTML) Models

Background: Checking the connectivity (structure) of complex Metabolic Reaction Networks(MRNs) models proposed for new microorganisms with promising properties is an importantgoal for chemical biology. Objective: In principle, we can perform a hand-on checking (Manual Curation). However, this is achallenging task due to the high number of combinations of pairs of nodes (possible metabolic reactions). Results: The CPTML linear model obtained using the LDA algorithm is able to discriminate nodes(metabolites) with the correct assignation of reactions from incorrect nodes with values of accuracy,specificity, and sensitivity in the range of 85-100% in both training and external validation dataseries. Methods: In this work, we used Combinatorial Perturbation Theory and Machine Learning techniquesto seek a CPTML model for MRNs >40 organisms compiled by Barabasis’ group. First, wequantified the local structure of a very large set of nodes in each MRN using a new class of node indexcalled Markov linear indices fk. Next, we calculated CPT operators for 150000 combinationsof query and reference nodes of MRNs. Last, we used these CPT operators as inputs of differentML algorithms. Conclusion: Meanwhile, PTML models based on Bayesian network, J48-Decision Tree and RandomForest algorithms were identified as the three best non-linear models with accuracy greaterthan 97.5%. The present work opens the door to the study of MRNs of multiple organisms usingPTML models.

Pharmacology & Pharmacy↗
NASA NTRS1982

A general method to determine the stability of compressible flows

Several problems were studied using two completely different approaches. The initial method was to use the standard linearized perturbation theory by finding the value of the individual small disturbance quantities based on the equations of motion. These were serially eliminated from the equations of motion to derive a single equation that governs the stability of fluid dynamic system. These equations could not be reduced unless the steady state variable depends only on one coordinate. The stability equation based on one dependent variable was found and was examined to determine the stability of a compressible swirling jet. The second method applied a Lagrangian approach to the problem. Since the equations developed were based on different assumptions, the condition of stability was compared only for the Rayleigh problem of a swirling flow, both examples reduce to the Rayleigh criterion. This technique allows including the viscous shear terms which is not possible in the first method. The same problem was then examined to see what effect shear has on stability.

Guenther, R. A.↗
NASA NTRS1982

Numerical comparisons of nonlinear convergence accelerators

As part of a continuing program of numerical tests of convergence accelerators, the iterated Aitken's Delta-squared method, Wynn's epsilon algorithm, Brezinski's theta algorithm, and Levin's u transform are compared on a broad range of test problems: linearly convergence alternating, monotone, and irregular-sign series, logarithmically convergent series, power method and Bernoulli method sequences, alternating and monotone asymptotic series, and some perturbation series arising in applications. In each category either the epsilon algorithm or the u transform gives the best results of the four methods tested. In some cases differences among methods are slight, and in others they are quite striking.

Smith, D. A.↗
NASA NTRS1990

The effects of forcing on a single stream shear layer and its parent boundary layer

Forcing and its effect on fluid flows has become an accepted tool in the study and control of flow systems. It has been used both as a diagnostic tool, to explore the development and interaction of coherent structures, and as a method of controlling the behavior of the flow. A number of forcing methods have been used in order to provide a perturbation to the flow; among these are the use of an oscillating trailing edge, acoustically driven slots, external acoustic forcing, and mechanical piston methods. The effect of a planar mechanical piston forcing on a single stream shear layer is presented; it can be noted that this is one of the lesser studied free shear layers. The single stream shear layer can be characterized by its primary flow velocity scale and the thickness of the separating boundary layer. The velocity scale is constant over the length of the flow field; theta (x) can be used as a width scale to characterize the unforced shear layer. In the case of the forced shear layer the velocity field is a function of phase time and definition of a width measure becomes somewhat problematic.

Haw, Richard C.↗
NASA NTRS1985

A Bayesian approach to nonlinear inversion

Powerful methods are now available for solving linear parametric inverse problems. However, many inverse problems which arise in geohysics are nonlinear. Fortunately, it is possible to treat most of these with the air of linear perturbation theory and liner inversion. But a convenient method is needed for assessing the importance of nonlinearity in these quasi-linear problems. The present paper provides such a method. Matsu'ura and Jackson (1984) have presented a simple algorithm for evaluating the asymptotic covariance matrix fo estimation errors. In the present investigation, aspects of linear inversion are discussed, taking into account linear parametric inverse problems, nonuniqueness, prior information, confidence limits, conditional and marginal statistics, the relative importance of the prior and observational data, and standardized variables. Attention is also given to nonlinear inversion, and the application of the considered approaches to a number of examples.

Jackson, D. D.↗
NASA NTRSDate not supplied

Implementation of Charged Particle Behavior in Discrete Element Method (DEM) Simulations

To understand the behavior of charged lunar regolith when perturbed by lunar landers, it is important to couple the grain dynamics with mechanical and electrical particle interactions. To accomplish this, improvements have been made to a discrete element method (DEM) software package to include both short- and long-range interactions between spherical particles. Short-range interactions rely on contact between the particles, such as electrical conduction and triboelectric charge transfer driven by work functions. Long-range interactions act at a distance between every pairing of particles, such as electrostatic forces and gravitational forces. Results from simulations between a few particles are compared with theory to verify these added behaviors prior to scaling up to more complex scenarios. The radii, initial charges, electrical conductivities, work functions, and separation of the particles are varied and the resultant charges as well as the time required to reach the final state are determined.

Electrostatics↗
DOE OSTI2021

Electronic Structure Theory Calculations Using Modern Architectures: KNL vs Haswell

The time to solution and parallel efficiency of several commonly used electronic structure methods (Hartree–Fock, density functional theory, second order perturbation theory, resolution of the identity second order perturbation theory, coupled cluster) are evaluated on both the Intel Xeon Haswell and the Intel Xeon Phi Knights Landing (KNL) architectures. The Haswell completes the benchmark calculations with a faster time to solution than the KNL for all molecules and methods tested. While the Haswell exhibits an average speedup of at least 3.5 relative to the KNL for all nonthreaded computations, the KNL has a better parallel efficiency than the Haswell with increasing core counts. The architectures are further tested using a more computationally costly coupled cluster method on a transition state reaction. The Haswell appears to be the best choice to minimize the time to solution, though for very large systems and high levels of theory that require memory intensive processes the superior memory hierarchy and larger on node memory of the KNL can make it a better choice. These results are used to showcase aspects of novel architectures that will increase efficiency for quantum chemistry applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Application of deep learning methods for beam size control during user operation at the Advanced Light Source

Past research at the Advanced Light Source (ALS) provided a proof-of-principle demonstration that deep learning methods could be effectively employed to compensate for the significant perturbations to the transverse electron beam size induced by user-controlled adjustments of the insertion devices. However, incorporating these methods into the ALS’ daily operations has faced notable challenges. The complexity of the system’s operational requirements and the significant upkeep demands has restricted their sustained application during user operation. Here, we introduce the development of a more robust neural network (NN)-based algorithm that utilizes a novel online fine-tuning approach and its systematic integration into the day-to-day machine operations. Our analysis emphasizes the process of NN model selection, demonstrates the superior performance of the NN-based method over traditional feedback methods, and examines the effectiveness and resilience of the new algorithm during user-operation scenarios. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
NASA NTRS1985

A comparison of finite-difference and finite-element methods for calculating free edge stresses in composites

It is pointed out that edge delamination is a serious failure mechanism for laminated composite materials. Various numerical methods have been utilized in attempts to calculate the interlaminar stress components which precede delamination in a laminate. There are, however, discrepancies regarding the results provided by different methods, taking into account a finite-difference procedure, a perturbation procedure, and finite element approaches. The present investigation has the objective to assess the capacity of a finite difference method to predict the character and magnitude of the interlaminar stress distributions near an interface corner. A second purpose of the investigation is to determine if predictions by finite element method in-plane, interlaminar stress components near an interface corner represent actual laminate behavior.

Bauld, N. R., Jr.↗
NASA NTRS1990

Numerical simulation of spatially-evolving instability

A computational study of the spatial stability of plane Poiseuille flow is presented. The numerical scheme employs a time-splitting method to integrate the full Navier-Stokes equations using spectral collocation/finite-difference discretization on a non-staggered mesh. The eigenvalue decomposition procedure is applied for the solution of the Poisson equations using the capacitance matrix technique. The buffer domain method is incorporated for the outflow boundary conditions. The input perturbation velocities are obtained by solving the Orr-Sommerfeld equation for the nonlinear eigenvalue problem employing the companion matrix method. Computational results are compared with the linear theory for two-dimensional disturbances.

Danabasoglu, G.↗
NASA NTRS1994

Application of an improved Nelson-Nguyen analysis to eccentric, arbitrary profile liquid annular seals

An improved dynamic analysis for liquid annular seals with arbitrary profile based on a method, first proposed by Nelson and Nguyen, is presented. An improved first order solution that incorporates a continuous interpolation of perturbed quantities in the circumferential direction, is presented. The original method uses an approximation scheme for circumferential gradients, based on Fast Fourier Transforms (FFT). A simpler scheme based on cubic splines is found to be computationally more efficient with better convergence at higher eccentricities. A new approach of computing dynamic coefficients based on external specified load is introduced. This improved analysis is extended to account for arbitrarily varying seal profile in both axial and circumferential directions. An example case of an elliptical seal with varying degrees of axial curvature is analyzed. A case study based on actual operating clearances of an interstage seal of the Space Shuttle Main Engine High Pressure Oxygen Turbopump is presented.

Padavala, Satyasrinivas↗
NASA NTRS1994

Evaluating the design of an earth radiation budget instrument with system simulations. Part 2: Minimization of instantaneous sampling errors for CERES-I

Much of the new record of broadband earth radiation budget satellite measurements to be obtained during the late 1990s and early twenty-first century will come from the dual-radiometer Clouds and Earth's Radiant Energy System Instrument (CERES-I) flown aboard sun-synchronous polar orbiters. Simulation studies conducted in this work for an early afternoon satellite orbit indicate that spatial root-mean-square (rms) sampling errors of instantaneous CERES-I shortwave flux estimates will range from about 8.5 to 14.0 W/m on a 2.5 deg latitude and longitude grid resolution. Rms errors in longwave flux estimates are only about 20% as large and range from 1.5 to 3.5 W/sq m. These results are based on an optimal cross-track scanner design that includes 50% footprint overlap to eliminate gaps in the top-of-the-atmosphere coverage, and a 'smallest' footprint size to increase the ratio in the number of observations lying within to the number of observations lying on grid area boundaries. Total instantaneous measurement error also depends on the variability of anisotropic reflectance and emission patterns and on retrieval methods used to generate target area fluxes. Three retrieval procedures from both CERES-I scanners (cross-track and rotating azimuth plane) are used. (1) The baseline Earth Radiaton Budget Experiment (ERBE) procedure, which assumes that errors due to the use of mean angular dependence models (ADMs) in the radiance-to-flux inversion process nearly cancel when averaged over grid areas. (2) To estimate N, instantaneous ADMs are estimated from the multiangular, collocated observations of the two scanners. These observed models replace the mean models in computation of satellite flux estimates. (3) The scene flux approach, conducts separate target-area retrievals for each ERBE scene category and combines their results using area weighting by scene type. The ERBE retrieval performs best when the simulated radiance field departs from the ERBE mean models by less than 10%. For larger perturbations, both the scene flux and collocation methods produce less error than the ERBE retrieval. The scene flux technique is preferable, however, because it involves fewer restrictive assumptions.

Stowe, Larry↗
DOE OSTI2025

Long-Range Interaction between Molecules with Electronic Degeneracy: Beyond the Born–Oppenheimer Approximation

Long-range intermolecular interaction plays an essential role in (ultra)cold collisions. For monomers with degenerate electronic states, an accurate description of the long-range interaction can be challenging due to the potential breakdown of the Born–Oppenheimer approximation. In this work, we developed a general method to construct long-range interaction potential energy surfaces (IPESs) between arbitrary molecules using the degenerate perturbation theory of Schrödinger. To further simplify the application of this method, a group-theoretical method is introduced to identify nonzero components of electrostatic properties of monomers, especially for the nonlinear molecules. To demonstrate this approach, we report the long-range IPESs of the O( 3 P)–OH( 2 Π) and OH( 2 Π)–OH( 2 Π) systems. The excellent agreement with ab initio calculations in large separations, even near electronic degeneracies, confirms the accuracy of our approach. The method is expected to lay the groundwork for the accurate investigation of (ultra)cold collisional dynamics involving open-shell species.

ab initio calculations↗
NASA NTRS1994

An initial investigation into methods of computing transonic aerodynamic sensitivity coefficients

The primary accomplishments of the project are as follows: (1) Using the transonic small perturbation equation as a flowfield model, the project demonstrated that the quasi-analytical method could be used to obtain aerodynamic sensitivity coefficients for airfoils at subsonic, transonic, and supersonic conditions for design variables such as Mach number, airfoil thickness, maximum camber, angle of attack, and location of maximum camber. It was established that the quasi-analytical approach was an accurate method for obtaining aerodynamic sensitivity derivatives for airfoils at transonic conditions and usually more efficient than the finite difference approach. (2) The usage of symbolic manipulation software to determine the appropriate expressions and computer coding associated with the quasi-analytical method for sensitivity derivatives was investigated. Using the three dimensional fully conservative full potential flowfield model, it was determined that symbolic manipulation along with a chain rule approach was extremely useful in developing a combined flowfield and quasi-analytical sensitivity derivative code capable of considering a large number of realistic design variables. (3) Using the three dimensional fully conservative full potential flowfield model, the quasi-analytical method was applied to swept wings (i.e. three dimensional) at transonic flow conditions. (4) The incremental iterative technique has been applied to the three dimensional transonic nonlinear small perturbation flowfield formulation, an equivalent plate deflection model, and the associated aerodynamic and structural discipline sensitivity equations; and coupled aeroelastic results for an aspect ratio three wing in transonic flow have been obtained.

Carlson, Leland A.↗