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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Method-independent cusps for atomic orbitals in quantum Monte Carlo

Here, we present an approach for augmenting Gaussian atomic orbitals with correct nuclear cusps. Like the atomic orbital basis set itself and unlike previous cusp corrections, this approach is independent of the many-body method used to prepare wave functions for quantum Monte Carlo. Once the basis set and molecular geometry are specified, the cusp-corrected atomic orbitals are uniquely specified, regardless of which density functionals, quantum chemistry methods, or subsequent variational Monte Carlo optimizations are employed. We analyze the statistical improvement offered by these cusps in a number of molecules and find them to offer similar advantages as molecular-orbital-based approaches while remaining independent of the choice of many-body method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Thermal remote sensing of surface soil water content with partial vegetation cover for incorporation into climate models

This study outlines a method for the estimation of regional patterns of surface moisture availability (M(sub 0)) and fractional vegetation (Fr) in the presence of spatially variable vegetation cover. The method requires relating variations in satellite-derived (NOAA, Advanced Very High Resolution Radiometer (AVHRR)) surface radiant temperature to a vegetation index (computed from satellite visible and near-infrared data) while coupling this association to an inverse modeling scheme. More than merely furnishing surface soil moisture values, the method constitues a new conceptual and practical approach for combining thermal infrared and vegetation index measurements for incorporating the derived values of M(sub 0) into hydrologic and atmospheric prediction models. Application of the technique is demonstrated for a region in and around the city of Newcastle upon Tyne situated in the northeast of England. A regional estimate of M(sub 0) is derived and is probabbly good for fractional vegetation cover up to 80% before errors in the estimated soil water content become unacceptably large. Moreover, a normalization scheme is suggested from which a nomogram, `universal triangle,' is constructed and is seen to fit the observed data well. The universal triangle also simplifies the inclusion of remotely derived M(sub 0) in hydrology and meteorological models and is perhaps a practicable step toward integrating derived data from satellite measurements in weather forecasting.

Gillies, Robert R.↗
DOE OSTI2023

Towards inverse microstructure-centered materials design using generative phase-field modeling and deep variational autoencoders

The field of Integrated Computational Materials Engineering (ICME) combines a broad range of methods to study materials’ responses over a spectrum of length scales. A relatively unexplored aspect of microstructure-sensitive materials design is uncertainty propagation and quantification (UP/UQ) of materials’ microstructure, as well as establishing process-structure–property (PSP) relationships for inverse material design. In this study, an efficient UP technique built on the idea of changing probability measures and a deep generative unsupervised representative machine learning method for microstructure-based design of thermal conductivity of materials is proposed. Probability measures are used to represent microstructure space, and Wasserstein metrics are used to test the efficiency of the UP method. By using deep Variational AutoEncoder (VAE), we identify the correlations between the material/process parameters and the thermal conductivity of heterogeneous dual-phase microstructures. Through high-throughput screening, UP, and the deep-generative VAE method, PSP relationships that are too complex can be revealed by exploiting the materials’ design space with an emphasis on microstructures. As a last point, we demonstrate generative machine learning serves as a useful tool for inverse microstructure-centered materials design, and we demonstrate this by examining the inverse design of thermal conductivity in nano-structured materials. Here, the results reveal the effects of morphology, volume fraction, characteristic length scale, and the individual thermal diffusivity of phases on the thermal conductivity of dual-phase alloys. Our findings emphasize the advantages of high-throughput phase-field modeling and generative deep learning for linking PSP and inverse microstructure-centered materials design.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Single-Transducer, Ultrasonic Imaging Method for High-Temperature Structural Materials Eliminates the Effect of Thickness Variation in the Image

NASA Lewis Research Center's Life Prediction Branch, in partnership with Sonix, Inc., and Cleveland State University, recently advanced the development of, refined, and commercialized an advanced nondestructive evaluation (NDE) inspection method entitled the Single Transducer Thickness-Independent Ultrasonic Imaging Method. Selected by R&D Magazine as one of the 100 most technologically significant new products of 1996, the method uses a single transducer to eliminate the superimposing effects of thickness variation in the ultrasonic images of materials. As a result, any variation seen in the image is due solely to microstructural variation. This nondestructive method precisely and accurately characterizes material gradients (pore fraction, density, or chemical) that affect the uniformity of a material's physical performance (mechanical, thermal, or electrical). Advantages of the method over conventional ultrasonic imaging include (1) elimination of machining costs (for precision thickness control) during the quality control stages of material processing and development and (2) elimination of labor costs and subjectivity involved in further image processing and image interpretation. At NASA Lewis, the method has been used primarily for accurate inspections of high temperature structural materials including monolithic ceramics, metal matrix composites, and polymer matrix composites. Data were published this year for platelike samples, and current research is focusing on applying the method to tubular components. The initial publicity regarding the development of the method generated 150 requests for further information from a wide variety of institutions and individuals including the Federal Bureau of Investigation (FBI), Lockheed Martin Corporation, Rockwell International, Hewlett Packard Company, and Procter & Gamble Company. In addition, NASA has been solicited by the 3M Company and Allison Abrasives to use this method to inspect composite materials that are manufactured by these companies.

Roth, Don J.↗
NASA NTRS2004

Fractal Variation with Changing Line Length: A Potential Problem for Planetary Lava Flow Identification

Fractals are objects that are generally self similar at all scales. Coastlines, mountains, river systems, planetary orbits and some mathematical objects are all examples of fractals. Bruno et al. used the structured walk model of Richardson to establish that lava flows are fractals and that lava flow morphology could be determined by looking at the fractal dimension of flow margins. They determined that Hawaiian a.a flows have fractal dimensions that range from 1.05 to 1.09 and that the pahoehoe lava flows have a fractal dimension from 1.13 to 1.23. We have analyzed a number of natural and simulated lava flow margins and find that the fractal dimension varies according to the number and length of rod lengths used in the structured walk method. The potential variation we find in our analyses is sufficiently large so that unambiguous determination of lava flow morphology is problematic for some flows. We suggest that the structured walk method can provide meaningful fractal dimensions if rod lengths employed in the analysis provide a best-fit residual of greater than 0.98, as opposed to the 0.95 cutoff used in previous studies. We also find that the use of more than 4 rod lengths per analysis also reduces ambiguity in the results.

Hudson, Richard K.↗
DOE OSTI2025

Frontal Slice Approaches for Tensor Linear Systems

Inspired by the row and column action methods for solving large-scale linear systems, in this work, we explore the use of frontal slices for solving tensor linear systems. In particular, this paper presents a novel approach for using frontal slices of a tensor $\mathcal{A}$ to solve tensor linear systems $\mathcal{A} ∗\mathcal{X} = \mathcal{B}$ where ∗ denotes the $t$-product. In addition, we consider variations of this method, including cyclic, block, and randomized approaches, each designed to optimize performance in different operational contexts. Our primary contribution lies in the development and convergence analysis of these methods. Experimental results on synthetically generated and real-world data, including applications such as image and video deblurring, demonstrate the efficacy of our proposed approaches and validate our theoretical findings.

Luo, Hengrui↗
NASA NTRS1986

Advances in numerical and applied mathematics

This collection of papers covers some recent developments in numerical analysis and computational fluid dynamics. Some of these studies are of a fundamental nature. They address basic issues such as intermediate boundary conditions for approximate factorization schemes, existence and uniqueness of steady states for time dependent problems, and pitfalls of implicit time stepping. The other studies deal with modern numerical methods such as total variation diminishing schemes, higher order variants of vortex and particle methods, spectral multidomain techniques, and front tracking techniques. There is also a paper on adaptive grids. The fluid dynamics papers treat the classical problems of imcompressible flows in helically coiled pipes, vortex breakdown, and transonic flows.

South, J. C., Jr.↗
NASA NTRS2003

Further Developments in the MLPG Method for Beam Problems

An accurate and yet simple Meshless Local Petrov-Galerkin (MLPG) formulation for analyzing beam problems is presented. In the formulation, simple weight functions are chosen as test functions as in the conventional MLPG method. Linear test functions are also chosen, leading to a variation of the MLPG method that is computationally efficient compared to the conventional implementation. The MLPG method is evaluated by applying the formulation to a variety of patch tests, thin beam problems, and problems with load discontinuities. The formulation successfully reproduces exact solutions to machine accuracy when higher order power and spline functions are chosen as test functions or when the linear test function is used, and when constructing the trial functions, the order of the basis function is properly balanced by the order of the weight function. For mixed boundary value problems, deflections, slopes, moments, and shear forces are calculated to the same accuracy by the MLPG method without the use of elaborate post-processing techniques. Problems with load discontinuities require special care - when a reasonable number of nodes are used, the method yields very accurate results.

Raju, I. S.↗
NASA NTRS1971

Techniques of orbital decay and long-term ephemeris prediction for satellites in earth orbit

In the special perturbation method, Cowell and variation-of-parameters formulations of the motion equations are implemented and numerically integrated. Variations in the orbital elements due to drag are computed using the 1970 Jacchia atmospheric density model, which includes the effects of semiannual variations, diurnal bulge, solar activity, and geomagnetic activity. In the general perturbation method, two-variable asymptotic series and automated manipulation capabilities are used to obtain analytical solutions to the variation-of-parameters equations. Solutions are obtained considering the effect of oblateness only and the combined effects of oblateness and drag. These solutions are then numerically evaluated by means of a FORTRAN program in which an updating scheme is used to maintain accurate epoch values of the elements. The atmospheric density function is approximated by a Fourier series in true anomaly, and the 1970 Jacchia model is used to periodically update the Fourier coefficients. The accuracy of both methods is demonstrated by comparing computed orbital elements to actual elements over time spans of up to 8 days for the special perturbation method and up to 356 days for the general perturbation method.

Barry, B. F.↗
NASA NTRS1988

Application of satellite data in variational analysis for global cyclonic systems

The goal of the research is a variational data assimilation method that incorporates as dynamical constraints, the primitive equations for a moist, convectively unstable atmosphere and the radiative transfer equation. Variables to be adjusted include the three-dimensional vector wind, height, temperature, and moisture from rawinsonde data, and cloud-wind vectors, moisture, and radiance from satellite data. In order to facilitate thorough analysis of each of the model components, four variational models that divide the problem naturally according to increasing complexity were defined. The research performed during the second year fall into four areas: sensitivity studies involving Model 1; evaluation of Model 2; reformation of Model 1 for greater compatibility with Model 2; development of Model 3 (radiative transfer equation); and making the model more responsive to the observations.

Achtemeier, G. L.↗
NASA NTRS2018

Design and Characteristics of Hydroxyapatites: Effect of Radiation

We have prepared silicate based hard materials and have processed it with organic flux. Because of the bioactivities of hydroxyapatites with tissues, this class of materials have attracted interest for bone applications. We have utilized low temperature processing techniques. Organic melt was used and the directional solidification method to cast the shaped sample. This organic treated material has different characteristics than coarsened oxide materials. Our approach involved low temperature processing using nano and micron sized powders of the material system Na2O-K2O-CaO- MgO-Ga2O3-SiO2, and titanates were processed by sintering and grain growth. Our results indicate that substitution of gallium and magnesium or titanium with some variation in processing methods have great potential to improve the glassy characteristics without decreasing the mechanical properties of bones. Effect of radiation on bone was studied by exposing with commercially available Cs137 gamma ray source. It was observed that electrical resistivity increased due to radiation exposure for this system.

Bhavsar, Jayati↗
NASA NTRS2024

Crowd-Sourced Technology Challenge for Improving Visual Color Detection of Hydrazine and Monomethylhydrazine Vapors in Spacecraft Environments

NASA currently uses a visual colorimetric detection method for potential hydrazine, monomethylhydrazine (MMH), or unsymmetrical dimethylhydrazine (UDMH) contamination in the International Space Station. Astronauts exposed to propellants or their residues during extravehicular activities may transfer contaminants into the airlock. The colorimetric detection method employs the Contamination Detection Kit (CDK), which uses a potassium tetrachloroaurate redox reaction with the propellant hydrazine vapors and a color comparison card to determine airborne concentrations. Seeking ideas for improvement, the NASA Tournament Lab (NTL) crowdsourced a way to tackle the challenge of detecting hydrazine and MMH vapors using colorimetric detection methods. This Rid the Rocket competition drew over 200 participants and 20 submissions from around the world proposing innovative ways to develop a new chemical colorimetric detection method for hydrazine and MMH vapors on spacecraft. Using a phased approach to evaluate contestants, NASA eventually narrowed the field to five finalists from the United States, Romania, Taiwan, and India. Concept papers and hardware submissions were judged on feasibility, creativity, and ability to detect hydrazine and MMH vapors before being sent to the NASA White Sands Test Facility for laboratory evaluation. Finalists employed variations of sampling methods and color-detection chemistry using a variety of sampling pumps and indicator pads or solutions—including those employing potassium or hydrogen tetrachloroaurate, para -dimethylaminobenzaldehyde (PDAB), and modifiers including sodium metasilicate and cetyltrimethylammonium bromide—to enhance gold nanoparticle formation and surface plasmon resonance (SPR) resulting in visual blue to purple color development. This paper presents a summary of the crowdsourced submissions and results of laboratory testing.

Crowd-Sourced↗
DOE OSTI2022

Detecting Quantum Critical Points of Correlated Systems by Quantum Convolutional Neural Network Using Data from Variational Quantum Eigensolver

Machine learning has been applied to a wide variety of models, from classical statistical mechanics to quantum strongly correlated systems, for classifying phase transitions. The recently proposed quantum convolutional neural network (QCNN) provides a new framework for using quantum circuits instead of classical neural networks as the backbone of classification methods. We present the results from training the QCNN by the wavefunctions of the variational quantum eigensolver for the one-dimensional transverse field Ising model (TFIM). We demonstrate that the QCNN identifies wavefunctions corresponding to the paramagnetic and ferromagnetic phases of the TFIM with reasonable accuracy. The QCNN can be trained to predict the corresponding ‘phase’ of wavefunctions around the putative quantum critical point even though it is trained by wavefunctions far away. The paper provides a basis for exploiting the QCNN to identify the quantum critical point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1987

Application of satellite data in variational analysis for global cyclonic systems

The research goal was a variational data assimilation method that incorporates as dynamical constraints, the primitive equations for a moist, convectively unstable atmosphere and the radiative transfer equation. Variables to be adjusted include the three-dimensional vector wind, height, temperature, and moisture from rawinsonde data, and cloud-wind vectors, moisture, and radiance from satellite data. This presents a formidable mathematical problem. In order to facilitate thorough analysis of each of the model components, four variational models that divide the problem naturally according to increasing complexity are defined. Each model is summarized.

Achtemeier, G. L.↗
NASA NTRS1977

Trajectory optimization for the Atlas/Centaur launch vehicle

A method for finding solutions to complex trajectory optimization problems with detailed hardware and launch vehicle constraints is presented. The trajectory optimization problem is formulated as a constrained function minimization problem by modeling the control by a function of a finite number of parameters. Although any parametric control model may be selected, the natural choice of parameters is the actual parameters of the parametric guidance equations flown on the flight digital computer. A variation of the method of multipliers is presented for performing the constrained function minimization. A functional is proposed that allows incorporation of state variable inequality constraints. Finally, optimization of the HEAO-A direct-ascent trajectory is discussed. The HEAO-A mission demonstrates profile optimization to meet range safety, tracking, heating, structural integrity, and attitude rate constraints.

Brusch, R. G.↗
NASA NTRS2003

Non-Linear Structural Dynamics Characterization using a Scanning Laser Vibrometer

This paper presents the use of a scanning laser vibrometer and a signal decomposition method to characterize non-linear dynamics of highly flexible structures. A Polytec PI PSV-200 scanning laser vibrometer is used to measure transverse velocities of points on a structure subjected to a harmonic excitation. Velocity profiles at different times are constructed using the measured velocities, and then each velocity profile is decomposed using the first four linear mode shapes and a least-squares curve-fitting method. From the variations of the obtained modal \ielocities with time we search for possible non-linear phenomena. A cantilevered titanium alloy beam subjected to harmonic base-excitations around the second. third, and fourth natural frequencies are examined in detail. Influences of the fixture mass. gravity. mass centers of mode shapes. and non-linearities are evaluated. Geometrically exact equations governing the planar, harmonic large-amplitude vibrations of beams are solved for operational deflection shapes using the multiple shooting method. Experimental results show the existence of 1:3 and 1:2:3 external and internal resonances. energy transfer from high-frequency modes to the first mode. and amplitude- and phase- modulation among several modes. Moreover, the existence of non-linear normal modes is found to be questionable.

Pai, P. F.↗
DOE OSTI2023

Spherical powders: Control over the size and morphology of powders for additive manufacturing and enriched stable isotope nuclear targets

Metal powders are a fundamental starting point for fabricating many types of nuclear targets. Elemental powder properties can differ drastically between batches, even when using the same method. Therefore, the variation in morphology and the size of metal powders can cause variable quality and produce inconsistent results with what are otherwise proven target manufacturing techniques. Additive manufacturing has additional requirements for higher quality and more uniform feedstock. The production of spheroidized powders with uniform, reproducible properties and a narrow size distribution represents unexplored opportunities for experiments. These opportunities include experimenting with solid metals that can now flow like liquids, new options for powder handling and dispensing, and new target fabrication methods using additive manufacturing. The Stable Isotope Materials and Chemistry Group at Oak Ridge National Laboratory obtained an AMAZEMET rePowder ultrasonic metal atomization tool for creating limited batches of fully dense, free flowing, spherical powders with a narrow size distribution of extremely rare materials. Early results are presented with materials that were produced. The team explores the anticipated limits of this instrument with extremely rare materials (e.g., enriched stable isotopes) and highlights research into new fabrication techniques that provide additional options benefitting the international nuclear target community.

Zach, Mike↗
NASA NTRS1981

Surface photometry of spiral galaxies. I - Theoretical color variation and surface brightness across spiral arms

A method for the construction of color variations and surface brightness across a galactic spiral arm, using the concepts and results of the density-wave theory, is developed. The color variation measured by the index Q varies with the ratio of the light of young stars to that of the old stars, the initial mass function, and the pattern speed. The fact that the variation of brightness and color across a spiral arm is relatively smooth and symmetrical and not sharp as in the galactic shock picture is due to the smearing-out effects of star formation inside a cloud in the regions behind the galactic shock, and the tendency of new stars to fall back to small galactocentric distances after their formation because of their lower angular velocity at birth. Both effects arise naturally in the context of the density-wave theory.

Yuan, C.↗