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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Thermal neutron scattering cross sections for amorphous carbon

Carbon materials are commonly found in both nuclear reactors and experimental systems. Various carbon structures occur in nuclear applications ranging from crystalline and nuclear graphite to the amorphous carbon seen in next-generation advanced reactor designs. Amorphous carbon is based on a randomized graphite-like structure and offers the unique ability to disperse impurities throughout the bulk composition. A graphite-like amorphous carbon system was modeled using the classical molecular dynamics (MD) code LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). An improved version of the temperature-dependent Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used to model the carbon-carbon atomic interactions for the temperature at 300 K along with densities 1.60, 1.70, 1.85, and 2.23 g/cm{sup 3}. From the normalized velocity autocorrelation function (VACF), the phonon density of state (DOS) was then calculated as the Fourier transform of the normalized VACF. This DOS was then used as the primary input for the evaluation of the thermal scattering law (TSL, i.e. S(α,β)) and associated neutron thermal scattering cross sections. The TSL was analyzed using the Full Law Analysis Scattering System Hub (FLASSH). The amorphous structure results in shifts of the phonon DOS to lower energy modes than typically displayed for ideal crystalline graphite. This impact on the DOS is directly reflected in the TSL. Furthermore, the typical optical peak at 0.25 eV for the ideal graphite disappears for amorphous carbon, in good agreement with the expected structure. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Unveiling the Hidden Evolution of Crystal Defects and Disorder in Energy Materials

Control of point defects and disorder in functional thin films and 2D materials is critical to realizing their full potential in applications ranging from energy storage to advanced electronics. However, these phenomena are often poorly understood, difficult to characterize, and challenging to direct with precision. This presentation explores emerging multi-modal computer vision to decipher and predict order in materials across multiple length scales in the electron microscope, from the atomic to the nanoscale. By fusing data from diverse sources, these powerful models provide unprecedented insights into materials' lifecycles, enabling the control of defects and their associated properties at a fundamental level. This capability promises to transform materials design and accelerate the development of next-generation technologies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

What Makes Passengers Uncomfortable In Vehicles Today? An Exploratory Study of Current Factors that May Influence Acceptance of Future Autonomous Vehicles

Autonomous vehicles have the potential to transform lives by providing transportation to a wider range of users. However, with this new method of transportation, user acceptance and comfort are critical for widespread adoption. This exploratory study aims to investigate what makes passengers uncomfortable in existing vehicles to inform the design of future autonomous vehicles. In order to predict what may impact user acceptance for a diverse rider population for future autonomous vehicles, it is important to understand what makes a broad range of passengers uncomfortable today. In this study, interviews were conducted for a total of 75 participants from three diverse groups, including 20 automotive engineering graduate students who are building an autonomous concept vehicle, 21 non-technical adults, and 34 senior citizens. The results revealed both topics which made different groups of passengers uncomfortable as well as how these varied between the groups. The leading contributors to the highest discomfort for all groups were being a passenger in situations with a distracted driver, being in a vehicle that is following too closely, being near a vehicle that is following too closely, and being in foggy conditions. In addition, the results showed that passenger discomfort can be attributed to a broad range of factors ranging from behaviors of the driver/vehicle that one is traveling with/in, the behaviors of other surrounding vehicles, the environmental conditions and the vehicle’s interior, all of which may differ between different groups of passengers. This research provides important findings and insights into factors that may influence users’ acceptance and use of future autonomous vehicles.

Mims, Lauren K.↗
NASA NTRS1984

Landsat-4 data quality analysis

Landsat-4 satellite Thematic Mapper (TM) and multispectral scanner (MSS) data have been analyzed in order to ascertain data quality and information content. Geometric evaluations have tested band-to-band registration accuracy, and the TM's overall system resolution was evaluated for the case of image objects with high contrast, sharp edge responses. The information content evaluation employed clustering, principal components, and the transformed divergence separability measured on data from Iowa and Chicago, Illinois. The MSS classification analysis compared MSS and TM information contents for a large number of science classes.

Anuta, P.↗
NASA NTRS1986

A diagonal algorithm for the method of pseudocompressibility

The method of pseudocompressibility has been shown to be an efficient method for obtaining a steady-state solution to the incompressible Navier-Stokes equations. Recent improvements to this method include the use of a diagonal scheme for the inversion of the equations at each iteration. The necessary transformations have been derived for the pseudocompressibility equations in generalized coordinates. The diagonal algorithm reduces the computing time necessary to obtain a steady-state solution by a factor of nearly three. Implicit viscous terms are maintained in the equations, and it has become possible to use fourth-order implicit dissipation. The steady-state solution is unchanged by the approximations resulting from the diagonalization of the equations. Computed results for flow over a two-dimensional backward-facing step and a three-dimensional cylinder mounted normal to a flat plate are presented for both the old and new algorithms. The accuracy and computing efficiency of these algorithms are compared.

Rogers, S. E.↗
NASA NTRS1989

A knowledge-based machine vision system for space station automation

A simple knowledge-based approach to the recognition of objects in man-made scenes is being developed. Specifically, the system under development is a proposed enhancement to a robot arm for use in the space station laboratory module. The system will take a request from a user to find a specific object, and locate that object by using its camera input and information from a knowledge base describing the scene layout and attributes of the object types included in the scene. In order to use realistic test images in developing the system, researchers are using photographs of actual NASA simulator panels, which provide similar types of scenes to those expected in the space station environment. Figure 1 shows one of these photographs. In traditional approaches to image analysis, the image is transformed step by step into a symbolic representation of the scene. Often the first steps of the transformation are done without any reference to knowledge of the scene or objects. Segmentation of an image into regions generally produces a counterintuitive result in which regions do not correspond to objects in the image. After segmentation, a merging procedure attempts to group regions into meaningful units that will more nearly correspond to objects. Here, researchers avoid segmenting the image as a whole, and instead use a knowledge-directed approach to locate objects in the scene. The knowledge-based approach to scene analysis is described and the categories of knowledge used in the system are discussed.

Chipman, Laure J.↗
NASA NTRS1989

Sliding control of pointing and tracking with operator spline estimation

It is shown how a variable structure control technique could be implemented to achieve precise pointing and good tracking of a deformable structure subject to fast slewing maneuvers. The correction torque that has to be applied to the structure is based on estimates of upper bounds on the model errors. For a rapid rotation of the deformable structure, the elastic response can be modeled by oscillators driven by angular acceleration, and where stiffness and damping coefficients are also angular velocity and acceleration dependent. By transforming this slew-driven elastic dynamics into bilinear form (be regarding the vector made up of the angular velocity, squared angular velocity and angular acceleration components, which appear in the coefficients as the input to the deformation dynamics), an operator spline can be constructed, that gives a low order estimate of the induced disturbance. Moreover, a worst case error bound between the estimated deformation and the unknown exact deformation is also generated, which can be used where required in the sliding control correction.

Dwyer, Thomas A. W., III↗
NASA NTRS1990

Task reports on developing techniques for scattering by 3D composite structures and to generate new solutions in diffraction theory using higher order boundary conditions

There are two tasks described in this report. First, an extension of a two dimensional formulation is presented for a three dimensional body of revolution. With the introduction of a Fourier expansion of the vector electric and magnetic fields, a coupled two dimensional system is generated and solved via the finite element method. An exact boundary condition is employed to terminate the mesh and the fast fourier transformation is used to evaluate the boundary integrals for low O(n) memory demand when an iterative solution algorithm is used. Second, the diffraction by a material discontinuity in a thick dielectric/ferrite layer is considered by modeling the layer as a distributed current sheet obeying generalized sheet transition conditions (GSTC's).

Volakis, John L.↗
NASA NTRS1995

Coherent states for the relativistic harmonic oscillator

Recently we have obtained, on the basis of a group approach to quantization, a Bargmann-Fock-like realization of the Relativistic Harmonic Oscillator as well as a generalized Bargmann transform relating fock wave functions and a set of relativistic Hermite polynomials. Nevertheless, the relativistic creation and annihilation operators satisfy typical relativistic commutation relations of the Lie product (vector-z, vector-z(sup dagger)) approximately equals Energy (an SL(2,R) algebra). Here we find higher-order polarization operators on the SL(2,R) group, providing canonical creation and annihilation operators satisfying the Lie product (vector-a, vector-a(sup dagger)) = identity vector 1, the eigenstates of which are 'true' coherent states.

Aldaya, Victor↗
NASA NTRS1987

A Diagonal Algorithm for the Method of Pseudocompressibility

The method of pseudocompressibility has been found to be an efficient method for obtaining a steady-state solution to the incompressible Navier-Stokes equations. Recent improvements to this method include the use of a diagonal scheme for the inversion of the equations equations at each iteration. The necessary transformations have been derived for the pseudocompressibility equations in generalized coordinates. The diagonal algorithm reduces the computing time necessary to obtain a steady-state solution by a factor of nearly three. Implicit viscous terms are maintained in the equations, and it has become possible to use fourth-order implicit dissipation. The steady-state solution is unchanged by the approximations resulting from the diagonalization of the equations. Computed results for flow over a two-dimensional backward-facing step and a three-dimensional cylinder mounted normal to a flat plate are presented for both the old and new algorithms. The computing efficiency of these algorithms are compared. Identical solutions are obtained from both algorithms which compare well with experimental results.

Rogers, Stuart E.↗
DOE OSTI2024

A Formalization of Core Why3 in Coq

Intermediate verification languages like Why3 and Boogie have made it much easier to build program verifiers, transforming the process into a logic compilation problem rather than a proof automation one. Why3 in particular implements a rich logic for program specification with polymorphism, algebraic data types, recursive functions and predicates, and inductive predicates; it translates this logic to over a dozen solvers and proof assistants. Accordingly, it serves as a backend for many tools, including Frama-C, EasyCrypt, and GNATProve for Ada SPARK. But how can we be sure that these tools are correct? The alternate foundational approach, taken by tools like VST and CakeML, provides strong guarantees by implementing the entire toolchain in a proof assistant, but these tools are harder to build and cannot directly take advantage of SMT solver automation. As a first step toward enabling automated tools with similar foundational guarantees, we give a formal semantics in Coq for the logic fragment of Why3. We show that our semantics are useful by giving a correct-by-construction natural deduction proof system for this logic, using this proof system to verify parts of Why3's standard library, and proving sound two of Why3's transformations used to convert terms and formulas into the simpler logics supported by the backend solvers.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

SIR-B ocean-wave enhancement with fast Fourier transform techniques

Shuttle Imaging Radar (SIR-B) imagery is Fourier filtered to remove the estimated system-transfer function, reduce speckle noise, and produce ocean scenes with a gray scale that is proportional to wave height. The SIR-B system response to speckled scenes of uniform surfaces yields an estimate of the stationary wavenumber response of the imaging radar, modeled by the 15 even terms of an eighth-order two-dimensional polynomial. Speckle can also be used to estimate the dynamic wavenumber response of the system due to surface motion during the aperture synthesis period, modeled with a single adaptive parameter describing an exponential correlation along track. A Fourier filter can then be devised to correct for the wavenumber response of the remote sensor and scene correlation, with subsequent subtraction of an estimate of the speckle noise component. A linearized velocity bunching model, combined with a surface tilt and hydrodynamic model, is incorporated in the Fourier filter to derive estimates of wave height from the radar intensities corresponding to individual picture elements.

Tilley, David G.↗
DOE OSTI2021

Evidence of an oxidation induced phase transformation for a delta phase plutonium-gallium alloy

The oxidation of an ~1.5 at% Ga plutonium metal alloy in dry air as a function of time was studied using a combination of FIB-SEM, AES, and XRD. Analysis of SEM images of FIB cross-sections of the oxide allowed for direct measurement of the oxide thickness as well as determination of heterogeneity in the extent of the oxide. AES analysis performed on cross-sections of the oxide allowed for quantitative analysis of the atomic composition and semi-quantitative analysis of the chemical composition. Initial preparation of the sample was found to induce a martensitic transformation to α' - Pu with an average thickness of 233 nm. Electropolishing was found to be sufficient to fully remove the α' layer with creation of only a minimum oxide layer. Growth of the oxide in dry air was found to initially follow parabolic kinetics, with a parabolic rate constant orders of magnitude higher than expected for δ-Pu but in-line with values extrapolated to room temperature for α-Pu. Following complete oxidation of the initial α` layer, further regions of plutonium metal depleted in gallium were observed to form at the oxide / metal interface. However, gallium, as Ga 2 O 3 , was found to be enriched at the surface and present in the oxide in an amount comparable to the relative Ga:Pu ratio of the bulk metal alloy. Finally, the results presented here serve to bridge a diverse array of previous experimental and theoretical data and provide the first comprehensive view of the fate of the δ-stabilizer during formation of an oxide.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Unsupervised machine learning discovery of structural units and transformation pathways from imaging data

We show that unsupervised machine learning can be used to learn chemical transformation pathways from observational Scanning Transmission Electron Microscopy (STEM) data. To enable this analysis, we assumed the existence of atoms, a discreteness of atomic classes, and the presence of an explicit relationship between the observed STEM contrast and the presence of atomic units. With only these postulates, we developed a machine learning method leveraging a rotationally invariant variational autoencoder (VAE) that can identify the existing molecular fragments observed within a material. The approach encodes the information contained in STEM image sequences using a small number of latent variables, allowing the exploration of chemical transformation pathways by tracing the evolution of atoms in the latent space of the system. The results suggest that atomically resolved STEM data can be used to derive fundamental physical and chemical mechanisms involved, by providing encodings of the observed structures that act as bottom-up equivalents of structural order parameters. The approach also demonstrates the potential of variational (i.e., Bayesian) methods in the physical sciences and will stimulate the development of more sophisticated ways to encode physical constraints in the encoder–decoder architectures and generative physical laws and causal relationships in the latent space of VAEs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Impact of Reordering on the LU Factorization Performance of Bordered Block-Diagonal Sparse Matrix

Power engineers rely on computer-based simulation tools to assess grid performance and ensure security. At the core of these tools are solvers for sparse linear equations. When transformed into a bordered block-diagonal (BBD) structure, part of the sparse linear equation solving can be parallelized. This work focuses on using the Schur-complement-based method for LU factorization on BBD matrices, specifically, Jacobian matrices from large-scale systems. Our findings show that the natural ordering method outperforms the default ordering method in computational performance for each block of the BBD matrix. This observation is validated using synthetic 25k-bus and 70k-bus cases, showing a speedup of up to 38% when using natural ordering without permutation. Additionally, the impact of the number of partitions is studied, and the result shows that computational performance improves with more, smaller partitions in the BBD matrices.

BBD matrix↗
NASA NTRS1975

An algorithm for optimal single linear feature extraction from several Gaussian pattern classes

A computational algorithm is presented for the extraction of an optimal single linear feature from several Gaussian pattern classes. The algorithm minimizes the increase in the probability of misclassification in the transformed (feature) space. Numerical results on the application of this procedure to the remotely sensed data from the Purdue Cl flight line as well as LANDSAT data are presented. It was found that classification using the optimal single linear feature yielded a value for the probability of misclassification on the order of 30% less than that obtained by using the best single untransformed feature. Also, the optimal single linear feature gave performance results comparable to those obtained by using the two features which maximized the average divergence.

Starks, S. A.↗
NASA NTRS1977

High resolution infrared absorptivities for gaseous chlorine nitrate

High resolution infrared absorptivities of chlorine nitrate (ClONO2) are required in order to quantitatively evaluate, by examination of infrared spectra obtained recently from balloon-borne spectrometers, the possible occurrence of this compound in the stratosphere. In the present study, infrared absorptivities for four absorption bands of gaseous ClONO2 have been measured at 0.0625 per cm spectral resolution with a Fourier transform infrared (FT-IR) system. Spectra were obtained at two pressures (0.05 and 1.05 torr) of pure ClONO2 and with 125 torr of N2 added to a 0.50 torr sample. Absorptivities for a range of spectral resolutions (0.0625, 0.125, 0.25 and 0.50 per cm) have been calculated from the data.

Graham, R. A.↗
NASA NTRS1977

Unsteady linearized transonic flow analysis for slender bodies

An unsteady linearized formulation based on Oswatitsch-Keune's parabolic method is developed to analyze transonic flow past oscillating slender bodies. In contrast to the widely used integral transform method, it is shown that all solutions can be derived by a simpler method directly in the physical plane. By various expansion procedures, low-frequency solutions then are derived according to two clearly defined frequency ranges. Adams-Sears' iteration is employed to account for the second-order effects. Stability derivatives are compared with available theories and data. It is found that the derivatives depend more sensitively on thickness than on the reduced frequency. Finally, a critical assessment of the present method is given.

Liu, D. D.↗