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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Estimating unsteady aerodynamic forces on a cascade in a three-dimensional turbulence field

An analytical method has been developed to estimate the unsteady aerodynamic forces caused by flow field turbulence on a wind tunnel turning vane cascade system (vane set). This method approximates dynamic lift and drag by linearly perturbing the appropriate steady state force equations, assuming that the dynamic loads are due only to free stream turbulence and that this turbulence is homogeneous, isotropic, and Gaussian. Correlation and unsteady aerodynamic effects are also incorporated into the analytical model. Using these assumptions, equations relating dynamic lift and drag to flow turbulence, mean velocity, and vane set geometry are derived. From these equations, estimates for the power spectra and rms (root mean squared value, delta) loading of both lift and drag can be determined.

Norman, T.↗
NASA NTRS1986

Influence of third-degree geometric nonlinearities on the vibration and stability of pretwisted, preconed, rotating blades

The governing coupled flapwise bending, edgewise bending, and torsional equations are derived including third-degree geometric nonlinear elastic terms by making use of the geometric nonlinear theory of elasticity in which the elongations and shears are negligible compared to unity. These equations are specialized for blades of doubly symmetric cross section with linear variation of pretwist over the blade length. The nonlinear steady state equations and the linearized perturbation equations are solved by using the Galerkin method, and by utilizing the nonrotating normal modes for the shape functions. Parametric results obtained for various cases of rotating blades from the present theoretical formulation are compared to those produced from the finite element code MSC/NASTRAN, and also to those produced from an in-house experimental test rig. It is shown that the spurious instabilities, observed for thin, rotating blades when second degree geometric nonlinearities are used, can be eliminated by including the third-degree elastic nonlinear terms. Furthermore, inclusion of third degree terms improves the correlation between the theory and experiment.

Subrahmanyam, K. B.↗
NASA NTRS1986

Estimating unsteady aerodynamic forces on a cascade in a three-dimensional turbulence field

An analytical method has been developed to estimate tne unsteady aerodynamic forces caused by flow field turbulence on a wind tunnel turning vane cascade system (vane set). This method approximates dynamic lift and drag by linearly perturbing the appropriate steady state force equations, assuming that the dynamic loads are due only to free stream turbulence and that this turbulence is homogeneous, isotropic, and Gaussian. Correlation and unsteady aerodynamic effects are also incorporated into the analytical model. Using these assumptions, equations relating dynamic lift and drag to flow turbulence, mean velocity, and vane set geometry are derived. From these equations, estimates for the power spectra and rms (root mean squared value, delta) loading of both lift and drag can be determined.

Norman, T. R.↗
NASA NTRS1987

Influence of third-degree geometric nonlinearities on the vibration and stability of pretwisted, preconed, rotating blades

The governing coupled flapwise bending, edgewise bending, and torsional equations are derived including third-degree goemetric nonlinear elastic terms by making use of the geometric nonlinear theory of elasticity in which the elongations and shears are negligible compared to unity. These equations are specialized for blades of doubly symmetric cross section with linear variation of Pretwist over the blade length. The nonlinear steady state equations and the linearized perturbation equations are solved by using the Galerkin method, and by utilizing the nonrotating normal modes for the shape functions. Parametric results obtained for various cases of rotating blades from the present theoretical formulation are compared to those produced from the finite element code MSC/NASTRAN, and also to those produced from an in-house experimental test rig. It is shown that the spurious instabilities, observed for thin, rotating blades when second degree geometric nonlinearities are used, can be eliminated by including the third-degree elastic nonlinear terms. Furthermore, inclusion of third degree terms improves the correlation between the theory and experiment.

Subrahmanyam, K. B.↗
NASA NTRS1989

A methodology for formulating a minimal uncertainty model for robust control system design and analysis

In the design and analysis of robust control systems for uncertain plants, the technique of formulating what is termed an M-delta model has become widely accepted and applied in the robust control literature. The M represents the transfer function matrix M(s) of the nominal system, and delta represents an uncertainty matrix acting on M(s). The uncertainty can arise from various sources, such as structured uncertainty from parameter variations or multiple unstructured uncertainties from unmodeled dynamics and other neglected phenomena. In general, delta is a block diagonal matrix, and for real parameter variations the diagonal elements are real. As stated in the literature, this structure can always be formed for any linear interconnection of inputs, outputs, transfer functions, parameter variations, and perturbations. However, very little of the literature addresses methods for obtaining this structure, and none of this literature addresses a general methodology for obtaining a minimal M-delta model for a wide class of uncertainty. Since have a delta matrix of minimum order would improve the efficiency of structured singular value (or multivariable stability margin) computations, a method of obtaining a minimal M-delta model would be useful. A generalized method of obtaining a minimal M-delta structure for systems with real parameter variations is given.

Belcastro, Christine M.↗
NASA NTRS1990

A complex permittivity and permeability measurement system for elevated temperatures

The three goals of this research include: (1) to fully develop a method to measure the permittivity and permeability of special materials as a function of frequency in the range of 2.6 to 18 GHz, and of temperature in the range of 25 to 1100 C; (2) to assist LeRC in setting up an in-house system for the measurement of high-temperature permittivity and permeability; and (3) to measure the complex permittivity and permeability of special materials as a function of frequency and temperature to demonstrate the capability of the method. The method chosen for characterizing the materials relies on perturbation of a resonant cavity with a small volume of sample material. Different field configurations in the cavity can be used to separate electric and magnetic effects. The cavity consists of a section of rectangular waveguide terminated at each end of a vertical slot iris. In the center of one wall is a small hole through which the sample is introduced.

Friederich, Paul↗
NASA NTRS1990

A complex permittivity and permeability measurement system for elevated temperatures

The three goals of this research include: (1) to fully develop a method to measure the permittivity and permeability of special materials as a function of frequency in the range of 2.6 to 18 GHz, and of temperatures in the range of 25 to 1100 C; (2) to assist LeRC in setting up an in-house system for the measurement of high-temperature permittivity and permeability; and (3) to measure the complex permittivity and permeability of special materials as a function of frequency and temperature to demonstrate the capability of the method. The method chosen for characterizing the materials relies on perturbation of a resonant cavity with a small volume of sample material. Different field configurations in the cavity can be used to separate electric and magnetic effects. The cavity consists of a section of rectangular waveguide terminated at each end of a vertical slot iris. The center of one wall is a small hole through which the sample is introduced.

Friederich, Paul↗
NASA NTRS1993

Computations Of Breakup Of A Capillary Jet

Report describes computations of breakup of round jet of liquid in gas or vacuum. Breakup occurs both spontaneously and when stimulated by vibrations giving rise to surface waves, some of which grow until drops pinch off. Study focusses on formation of satellite drops, taking advantage of advanced computers and computational methods to carry theoretical analysis beyond small-perturbation, linear regime.

Mansour, Nagi N.↗
DOE OSTI2021

Excited States of Crystalline Point Defects with Multireference Density Matrix Embedding Theory

Accurate and affordable methods to characterize the electronic structure of solids are important for targeted materials design. Embedding-based methods provide an appealing balance in the trade-off between cost and accuracy-particularly when studying localized phenomena. Here, we use the density matrix embedding theory (DMET) algorithm to study the electronic excitations in solid-state defects with a restricted open-shell Hartree-Fock (ROHF) bath and multireference impurity solvers, specifically, complete active space self-consistent field (CASSCF) and n-electron valence state second-order perturbation theory (NEVPT2). In this work, we apply the method to investigate the electronic excitations in an oxygen vacancy (OV) on a MgO(100) surface and find absolute deviations within 0.05 eV between DMET using the CASSCF/NEVPT2 solver, denoted as CAS-DMET/NEVPT2-DMET, and the nonembedded CASSCF/NEVPT2 approach. Next, we establish the practicality of DMET by extending it to larger supercells for the OV defect and a neutral silicon vacancy in diamond where the use of nonembedded CASSCF/NEVPT2 is extremely expensive.

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

Computing the QRPA level density with the finite amplitude method

Here, we describe a new algorithm to calculate the vibrational nuclear level density of an atomic nucleus. Fictitious perturbation operators that probe the response of the system are generated by drawing their matrix elements from some probability distribution function. We use the Finite Amplitude Method to explicitly compute the response for each such sample. With the help of the Kernel Polynomial Method, we build an estimator of the vibrational level density and provide the upper bound of the relative error in the limit of infinitely many random samples. The new algorithm can give accurate estimates of the vibrational level density. Since it is based on drawing multiple samples of perturbation operators, its computational implementation is naturally parallel and scales like the number of available processing units.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Community detection robustness of graph neural networks

Graph neural networks (GNNs) are increasingly widely used for community detection in attributed networks. They combine structural topology with node attributes through message passing and pooling. However, their robustness or lack thereof with respect to different perturbations and targeted attacks in conjunction with community detection tasks is not well understood. To shed light on latent mechanisms behind GNN sensitivity on community detection tasks, we conduct a systematic computational evaluation of six widely adopted GNN architectures graph convolutional network, graph attention network, graph sample and aggregate (GraphSAGE), differentiable pooling (DiffPool), minimum cut pooling (MinCUT), and deep modularity networks (DMoN). The analysis covers three perturbation categories: node attribute manipulations, edge topology distortions, and adversarial attacks. We use element-centric similarity as the evaluation metric on synthetic benchmarks and real-world citation networks. Our findings indicate that supervised GNNs tend to achieve higher baseline accuracy, while unsupervised methods, particularly DMoN, maintain stronger resilience under targeted and adversarial perturbations. Furthermore, robustness appears to be strongly influenced by community strength, with well-defined communities reducing performance loss. Across all models, node attribute perturbations associated with targeted edge deletions and shifts in attribute distributions tend to cause the largest degradation in community recovery. These findings highlight important trade-offs between accuracy and robustness in GNN-based community detection and offer insights into selecting architectures resilient to noise and adversarial attacks.

Goel, Jaidev [Virginia Polytechnic Inst. and State↗
DOE OSTI2020

Stochastic equation of motion approach to fermionic dissipative dynamics. I. Formalism

In this work, we establish formally exact stochastic equation of motion (SEOM) theory to describe the dissipative dynamics of fermionic open systems. The construction of the SEOM is based on a stochastic decoupling of the dissipative interaction between the system and fermionic environment, and the influence of environmental fluctuations on the reduced system dynamics is characterized by stochastic Grassmann fields. Meanwhile, numerical realization of the time-dependent Grassmann fields has remained a long-standing challenge. To solve this problem, we propose a minimal auxiliary space (MAS) mapping scheme with which the stochastic Grassmann fields are represented by conventional c-number fields along with a set of pseudo-levels. This eventually leads to a numerically feasible MAS-SEOM method. The important properties of the MAS-SEOM are analyzed by making connection to the well-established time-dependent perturbation theory and the hierarchical equations of motion theory. The MAS-SEOM method provides a potentially promising approach for the accurate and efficient simulation of fermionic open systems at ultra-low temperatures.

Han, Lu (ORCID:0000000339002225)↗
NASA NTRS1989

Airborne measurements of stratospheric constituents over Antarctica in the austral spring 1987. I - Method and ozone observations

A Fourier transform spectrometer was flown aboard a DC-8 on 10 flights over Antarctica during August and September, 1987, as part of the Airborne Antarctic Ozone Experiment (AAOE). Observing the sun at infrared wavelengths, it was possible to determine the integrated column amount above the flight altitude for ozone and a number of other chemical species that are believed to be important in the perturbed chemistry of the 'ozone hole'. The paper describes the method, the observations, the data analysis procedure, and the ozone results. During the observation period, ozone developed a steep gradient near the edge of the polar vortex; deep within the vortex, the average ozone column decreased by about 1.6 percent per day during September.

Mankin, William G.↗
NASA NTRS1983

A general perturbation approach for the equations of fluid dynamics

An efficient numerical technique to produce accurate solutions to the equations of fluid dynamics is presented where the governing equations are perturbed about an approximate solution and solved by finite-difference methods on a coarsened grid. The result is a scheme which substantially reduces the number of grid points necessary to accurately resolve the flow. Applications are presented for the two-dimensional Euler equations perturbed about a solution of the transonic full potential equation. However, the concept is applicable to arbitrary equation sets, higher dimensions and for a wide variety of applications.

Chow, L. J.↗
DOE OSTI2022

Self-consistency in GWΓ formalism leading to quasiparticle-quasiparticle couplings

Within many-body perturbation theory, Hedin's formalism offers a systematic way to iteratively compute the self-energy Σ of any dynamically correlated interacting system, provided one can evaluate the interaction vertex Γ exactly. This is, however, impossible, in general, for it involves the functional derivative of Σ with respect to the Green's function. Here, we analyze the structure of this derivative, splitting it into four contributions and outlining the type of quasiparticle interactions that each of them generate. Moreover, we show how, in the implementation of self-consistency, the action of these contributions can be classified into two: A quantitative renormalization of previously included interaction terms and the inclusion of qualitatively distinct interaction terms through successive functional derivatives of Γ itself. Implementing this latter type of self-consistency can extend the validity of perturbative approximations based on Hedin's equations toward the high interaction limit, as we show in the example of the Hubbard dimer. Furthermore, our analysis also provides a unifying perspective on the perturbation theory landscape, showing how the T-matrix approach is completely contained in Hedin's formalism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1972

Numerical method for the solution of large systems of differential equations of the boundary layer type

A numerical method for the solution of large systems of nonlinear differential equations of the boundary-layer type is described. The method is a modification of the technique for satisfying asymptotic boundary conditions. The present method employs inverse interpolation instead of the Newton method to adjust the initial conditions of the related initial-value problem. This eliminates the so-called perturbation equations. The elimination of the perturbation equations not only reduces the user's preliminary work in the application of the method, but also reduces the number of time-consuming initial-value problems to be numerically solved at each iteration. For further ease of application, the solution of the overdetermined system for the unknown initial conditions is obtained automatically by applying Golub's linear least-squares algorithm. The relative ease of application of the proposed numerical method increases directly as the order of the differential-equation system increases. Hence, the method is especially attractive for the solution of large-order systems. After the method is described, it is applied to a fifth-order problem from boundary-layer theory.

Green, M. J.↗
NASA NTRS1996

Aerodynamic Shape Optimization of Complex Aircraft Configurations via an Adjoint Formulation

This work describes the implementation of optimization techniques based on control theory for complex aircraft configurations. Here control theory is employed to derive the adjoint differential equations, the solution of which allows for a drastic reduction in computational costs over previous design methods (13, 12, 43, 38). In our earlier studies (19, 20, 22, 23, 39, 25, 40, 41, 42) it was shown that this method could be used to devise effective optimization procedures for airfoils, wings and wing-bodies subject to either analytic or arbitrary meshes. Design formulations for both potential flows and flows governed by the Euler equations have been demonstrated, showing that such methods can be devised for various governing equations (39, 25). In our most recent works (40, 42) the method was extended to treat wing-body configurations with a large number of mesh points, verifying that significant computational savings can be gained for practical design problems. In this paper the method is extended for the Euler equations to treat complete aircraft configurations via a new multiblock implementation. New elements include a multiblock-multigrid flow solver, a multiblock-multigrid adjoint solver, and a multiblock mesh perturbation scheme. Two design examples are presented in which the new method is used for the wing redesign of a transonic business jet.

Reuther, James↗
DOE OSTI2022

Real-time equation-of-motion CC cumulant and CC Green’s function simulations of photoemission spectra of water and water dimer

Newly developed coupled-cluster (CC) methods enable simulations of ionization potentials and spectral functions of molecular systems in a wide range of energy scales ranging from core-binding to valence. This paper discusses the results obtained with the real-time equation-of-motion CC cumulant (RT-EOM-CC) approach and CC Green’s function (CCGF) approaches in applications to the water and water dimer molecules. Here, we compare the ionization potentials obtained with these methods for the valence region with the results obtained with the coupled-cluster with singles, doubles, and perturbative triples formulation as a difference of energies for N and N – 1 electron systems. All methods show good agreement with each other. They also agree well with the experiment with errors usually below 0.1 eV for the ionization potentials. We also analyze unique features of the spectral functions, associated with the position of satellite peaks, obtained with the RT-EOM-CC and CCGF methods employing single and double excitations, as a function of the monomer OH bond length and the proton transfer coordinate in the dimer. Finally, we analyze the impact of the basis set effects on the quality of calculated ionization potentials and find that the basis set effects are less pronounced for the augmented-type sets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗