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At least 271 records · Page 15

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DOE OSTI2025

OmniXAS: A universal deep-learning framework for materials x-ray absorption spectra

X-ray absorption spectroscopy (XAS) is a powerful characterization technique for probing the local chemical environment of absorbing atoms. However, analyzing XAS data presents significant challenges, often requiring extensive, computationally intensive simulations, as well as significant domain expertise. These limitations hinder the development of fast, robust XAS analysis pipelines that are essential in high-throughput studies and for autonomous experimentation. Here, we address these challenges with OmniXAS, a framework that contains a suite of transfer learning approaches for XAS prediction, each uniquely contributing to improved accuracy and efficiency, as demonstrated on the K-edge spectra database covering eight 3⁢d transition metals (Ti–Cu). The OmniXAS framework is built upon three distinct strategies. First, we use M3GNet [Nat. Comput. Sci. 2, 718 (2022)] to derive latent representations of the local chemical environment of absorption sites as input for XAS prediction, achieving significant improvements over conventional featurization techniques. Second, we employ a hierarchical transfer learning strategy, training a universal multitask model across elements before fine-tuning for element-specific predictions. Models based on this cascaded approach after elementwise fine-tuning outperform element-specific models by up to 69%. Third, we implement cross-fidelity transfer learning, adapting a universal model to predict spectra generated by simulation of a different fidelity with a much higher computational cost. This approach improves prediction accuracy by up to 11% over models trained on the target fidelity alone. Our approach significantly boosts the throughput of XAS modeling by orders of magnitude as compared to first-principles simulations and is extendable to XAS prediction for a broader range of elements. The proposed transfer learning framework is generalizable to enhance deep-learning models that target other properties in materials research.

36 MATERIALS SCIENCE↗

NASA NTRS2008

Full-Field Strain Methods for Investigating Failure Mechanisms in Triaxial Braided Composites

Recent advancements in braiding technology have led to commercially viable manufacturing approaches for making large structures with complex shape out of triaxial braided composite materials. In some cases, the static load capability of structures made using these materials has been higher than expected based on material strength properties measured using standard coupon tests. A more detailed investigation of deformation and failure processes in large-unit-cell-size triaxial braid composites is needed to evaluate the applicability of standard test methods for these materials and to develop alternative testing approaches. This report presents some new techniques that have been developed to investigate local deformation and failure using digital image correlation techniques. The methods were used to measure both local and global strains during standard straight-sided coupon tensile tests on composite materials made with 12- and 24-k yarns and a 0 /+60 /-60 triaxial braid architecture. Local deformation and failure within fiber bundles was observed and correlations were made between these local failures and global composite deformation and strength.

Littell, Justin D.↗

NASA NTRS1999

Phase Time and Envelope Time in Time-Distance Analysis and Acoustic Imaging

Time-distance analysis and acoustic imaging are two related techniques to probe the local properties of solar interior. In this study, we discuss the relation of phase time and envelope time between the two techniques. The location of the envelope peak of the cross correlation function in time-distance analysis is identified as the travel time of the wave packet formed by modes with the same w/l. The phase time of the cross correlation function provides information of the phase change accumulated along the wave path, including the phase change at the boundaries of the mode cavity. The acoustic signals constructed with the technique of acoustic imaging contain both phase and intensity information. The phase of constructed signals can be studied by computing the cross correlation function between time series constructed with ingoing and outgoing waves. In this study, we use the data taken with the Taiwan Oscillation Network (TON) instrument and the Michelson Doppler Imager (MDI) instrument. The analysis is carried out for the quiet Sun. We use the relation of envelope time versus distance measured in time-distance analyses to construct the acoustic signals in acoustic imaging analyses. The phase time of the cross correlation function of constructed ingoing and outgoing time series is twice the difference between the phase time and envelope time in time-distance analyses as predicted. The envelope peak of the cross correlation function between constructed ingoing and outgoing time series is located at zero time as predicted for results of one-bounce at 3 mHz for all four data sets and two-bounce at 3 mHz for two TON data sets. But it is different from zero for other cases. The cause of the deviation of the envelope peak from zero is not known.

Chou, Dean-Yi↗

NASA NTRS1991

Development of a laser-induced heat flux technique for measurement of convective heat transfer coefficients in a supersonic flowfield

A technique is developed to measure the local convective heat transfer coefficient on a model surface in a supersonic flow field. The technique uses a laser to apply a discrete local heat flux at the model test surface, and an infrared camera system determines the local temperature distribution due to heating. From this temperature distribution and an analysis of the heating process, a local convective heat transfer coefficient is determined. The technique was used to measure the load surface convective heat transfer coefficient distribution on a flat plate at nominal Mach numbers of 2.5, 3.0, 3.5, and 4.0. The flat plate boundary layer initially was laminar and became transitional in the measurement region. The experimental results agreed reasonably well with theoretical predictions of convective heat transfer of flat plate laminar boundary layers. The results indicate that this non-intrusive optical measurement technique has the potential to obtain high quality surface convective heat transfer measurements in high speed flowfields.

Porro, A. Robert↗

NASA NTRS1984

Measurements of local convective heat transfer coefficients on ice accretion shapes

The thin-skin heat rate technique was used to determine local convective heat transfer coefficients for four representative ice accretion shapes. The shapes represented three stages of glaze ice formation and one rime ice formation; the ice models had varying degrees of surface roughness. In general, convective heat transfer was higher in regions where the model's surfaces were convex and lower in regions where the surfaces were concave. The effect of roughness was different for the glaze and rime ice shapes. On the glaze ice shapes, roughness increased the maximum Nu by 80 percent, but the other Nu values were virtually unchanged. On the rime ice shape, the Nu numbers near the stagnation point were unchanged. The maximum Nu value increased by 45 percent, and the Nu number downstream of the peak increased by approximately 150 percent.

Arimilli, R. V.↗

NASA NTRS2008

Full-field Strain Methods for Investigating Failure Mechanisms in Triaxial Braided Composites

Composite materials made with triaxial braid architecture and large tow size carbon fibers are beginning to be used in many applications, including composite aircraft and engine structures. Recent advancements in braiding technology have led to commercially viable manufacturing approaches for making large structures with complex shape. Although the large unit cell size of these materials is an advantage for manufacturing efficiency, the fiber architecture presents some challenges for materials characterization, design, and analysis. In some cases, the static load capability of structures made using these materials has been higher than expected based on material strength properties measured using standard coupon tests. A potential problem with using standard tests methods for these materials is that the unit cell size can be an unacceptably large fraction of the specimen dimensions. More detailed investigation of deformation and failure processes in large unit cell size triaxial braid composites is needed to evaluate the applicability of standard test methods for these materials and to develop alternative testing approaches. In recent years, commercial equipment has become available that enables digital image correlation to be used on a more routine basis for investigation of full field 3D deformation in materials and structures. In this paper, some new techniques that have been developed to investigate local deformation and failure using digital image correlation techniques are presented. The methods were used to measure both local and global strains during standard straight-sided coupon tensile tests on composite materials made with 12 and 24 k yarns and a 0/+60/-60 triaxial braid architecture. Local deformation and failure within fiber bundles was observed, and this local failure had a significant effect on global stiffness and strength. The matrix material had a large effect on local damage initiation for the two matrix materials used in this investigation. Premature failure in regions of the unit cell near the edge of the straight-sided specimens was observed for transverse tensile tests in which the braid axial fibers were perpendicular to the specimen axis and the bias fibers terminated on the cut edges in the specimen gage section. This edge effect is one factor that could contribute to a measured strength that is lower than the actual material strength in a structure without edge effects.

Littell, Justin D.↗

NASA NTRS1990

Experiment K-6-18. Study of muscarinic and gaba (benzodiazepine) receptors in the sensory-motor cortex, hippcampus and spinal code

Frontal lobe samples of rat brains flown aboard Cosmos 1887 were processed for the study of muscarinic (cholinergic) and GABA (benzodiazepine) receptors and for immunocytochemical localization of the neurotransmitter gamma-aminobutyric acid (GABA) and glial fibrillary acidic protein (GFAP). Although radioactive labeling of both muscarinic cholinergic and GABA (benzodiazepine) receptors proved to be successful with the techniques employed, distinct receptor localization of individual laminae of the frontal neocortex was not possible since the sampling of the area was different in the various groups of animals. In spite of efforts made for proper orientation and regional identification of laminae, it was found that a densitometric (quantitation of autoradiograms) analysis of the tissue did not contribute to the final interpretation of the effects of weightlessness on these receptors. As to the immunocytochemical studies the use of both markers, GFAP and GABA antiserum, confirmed the suitability of the techniques for use in frozen material. However, similar problems to those encountered in the receptor studies prevented an adequate interpretation of the effects of micro-G exposure on the localization and distribution of GABA and GFAP. This study did, however, confirm the feasibility of investigating neurotransmitters and their receptors in future space flight experiments.

Daunton, N.↗

NASA NTRS1992

An image compression technique for use on token ring networks

A low complexity technique for compression of images for transmission over local area networks is presented. The technique uses the synchronous traffic as a side channel for improving the performance of an adaptive differential pulse code modulation (ADPCM) based coder.

Gorjala, B.↗

DOE OSTI2024

Corrected calculation for the non-local solution to the g − 2 anomaly and novel results in non-local QED

We provide the corrected calculation of the (g − 2) μ in non-local QED previously done in the literature. In specific, we show the proper technique for calculating loops in non-local QED and use it to find the form factors F 1 (q 2 ) and F 2 (q 2 ) in non-local QED. We also utilize this technique to calculate some novel results in non-local QED, including calculating the correction to the photon self-energy, the modification to the classical Coulomb potential, the modification to the energy levels of the hydrogen atom, and the contribution to the Lamb shift. We also discuss charge dequantization through non-locality, and show that the experimental bounds on the electric charge on Dirac neutrinos, translate into strong flavor-dependent bounds on the scale on non-locality that range between 10 5 −10 10 TeV. We also discuss the inconsistencies of unrenormalized non-local Quantum Field Theories (QFTs) and the need for renormalizing them, even when they are free from UV divergences.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2003

Application of local Lyapunov exponents to maneuver design and navigation in the three-body problem

Dynamical systems theory has recently been employed for several missions to design trajectories within the three-body problem. This research applied a stability technique, the calculation of local Lyapunov exponents, to such trajectories. Local Lyapunov exponents give an indication of the effects that perturbations or maneuvers will have on trajectories over a specified time.

local Lyapunov exponent design navigation three-bo↗

NASA NTRS1987

EXAFS: New tool for study of battery and fuel cell materials

Extended X ray absorption fine structure (EXAFS) is a powerful technique for probing the local atomic structure of battery and fuel cell materials. The major advantages of EXAFS are that both the probe and the signal are X rays and the technique is element selective and applicable to all states of matter. This permits in situ studies of electrodes and determination of the structure of single components in composite electrodes, or even complete cells. EXAFS specifically probes short range order and yields coordination numbers, bond distances, and chemical identity of nearest neighbors. Thus, it is ideal for structural studies of ions in solution and the poorly crystallized materials that are often the active materials or catalysts in batteries and fuel cells. Studies on typical battery and fuel cell components are used to describe the technique and the capability of EXAFS as a structural tool in these applications. Typical experimental and data analysis procedures are outlined. The advantages and limitations of the technique are also briefly discussed.

Mcbreen, James↗

NASA NTRS2003

Application of local Lyapunov exponents to maneuver design and navigation in the three-body problem

Dynamical systems theory has recently been employed to design trajectories within the three-body problem for several missions. This research has applied one stability technique, the calculation of local Lyapunov exponents, to such trajectories. Local Lyapunov exponents give an indication of the effects that perturbations or maneuvers will have on trajectories over a specified time. A numerical comparison of local Lyapunov exponents was first made with the distance random perturbations traveled from a nominal trajectory, and the local Lyapunov exponents were found to correspond well with the perturbations that caused the greatest deviation from the nominal. This would allow them to be used as an indicator of the points where it would be important to reduce navigation uncertainties.

dynamical systems theory↗

DOE OSTI2025

Interface Evolutionand Long-Term Performance of NegativeCarbon Fiber Structural Electrodes

Abstract Laminated structural batteries present a transformative solution to reducing weight constraints in electric vehicles. These structural batteries are based on a multifunctional material that incorporates an energy storage function within a carbon fiber-reinforced polymer. Despite the potential of this technology, the intricate morphology of fiber–matrix or electrode–electrolyte interfaces and the impact of long-term cycling at low current rates (C-rates) on these interfaces remain insufficiently understood. This study addresses these critical knowledge gaps by examining the influence of matrix composition on the long-term electrochemical performance of structural battery electrodes and exploring advanced techniques to investigate carbon fiber–matrix interfaces. Localized imaging and X-ray scattering techniques were used to characterize morphological changes at the electrode–electrolyte interfaces by analyzing negative structural electrodes. The findings revealed that the matrix composition influences long-term electrochemical behavior and fiber–matrix interface formation. While the intrinsic properties of carbon fibers largely remain unaffected by long-term cycling, cycling promotes debonding at fiber–matrix interfaces. Nonetheless, residual regions of adhesion persist, underscoring the potential for preserving multifunctionality even under prolonged cycling conditions. These insights advance the understanding of interface dynamics, which is critical for optimizing structural battery technologies.

Chemistry↗

NASA NTRS1994

Scope and Abstraction: Two Criteria for Localized Planning

Localization is a general-purpose representational technique for partitioning problem requirements into subproblems. Localized search utilizes a partitioning by breaking the overall search space into several smaller search spaces, one for each subproblem. Unlike most methods of partitioning, localization allows for subproblems that overlap -- i.e., multiple search spaces may be involved in constructing shared pieces of the overall plan. In this paper we focus on two criteria for forming localizations: abstraction and scope. Abstraction-based localizations are motivated by activation relationships between problem requirements. In contrast, scope-based localizations are motivated by the relevance of problem requirements to specific portions of the overall plan. This paper also describes a method for automatically generating scope and abstraction-based localizations. Empirical results are provided that contrast their use in an office-building construction planning domain.

Lansky, Amy L.↗

NASA NTRS2004

Robust local search for spacecraft operations using adaptive noise

Randomization is a standard technique for improving the performance of local search algorithms for constraint satisfaction. However, it is well-known that local search algorithms are constraints satisfaction. However, it is well-known that local search algorithms are to the noise values selected. We investigate the use of an adaptive noise mechanism in an iterative repair-based planner/scheduler for spacecraft operations. Preliminary results indicate that adaptive noise makes the use of randomized repair moves safe and robust; that is, using adaptive noise makes it possible to consistently achieve, performance comparable with the best tuned noise setting without the need for manually tuning the noise parameter.

planning↗

NASA NTRS2020

Producing Next Generation Superalloys Through Advanced Characterization and Manufacturing Techniques

NASA is currently working towards developing the next generation high temperature alloys for various aerospace and energy applications. Through advanced microscopy and computational insights, a novel atomic scale strengthening mechanism was discovered in Ni-base superalloys. This new local phase transformation strengthening technique has been successfully implemented resulting in new disk alloys with substantial improvements in creep strength over current state-of-the-art. Furthermore, additive manufacturing has been leveraged to produce dispersion strengthened (DS), multi-principal element alloys (MPEA) without the use of traditional mechanical alloying or chemical reactions. This new processing technique has successfully resulted in 99.9% dense oxide dispersion strengthened NiCoCr alloy parts. High temperature mechanical testing of the DS alloys showed significant improvements in strength and ductility over the baseline NiCoCr. As a result, this recently discovered processing route opens a new alloy design and production path that is synergistic between additive manufacturing and dispersion strengthening, possibly enabling a new generation of high-performance alloys.

Smith, Timothy M.↗

DOE OSTI2026

A User-Friendly GUI Tool for Automated Microstructural Analysis of Fiber-Reinforced Composites and Porous Structures

Understanding and quantifying microstructural features such as fiber orientation and porosity is critical for predicting the mechanical behavior and performance of fiber-reinforced polymer composites. Traditional manual analysis is time-consuming, subjective, and unsuitable for high-throughput datasets. We present a graphical user interface (GUI) application that automates the analysis of microscopy images to extract key microstructural metrics, including fiber orientation tensors, fiber orientation distribution, porosity and pore size distribution. The app integrates multiple image segmentation techniques including global and local thresholding, clustering, and region-based approaches, offering flexibility for different types of image qualities and features. Users can load microstructural images, select regions of interest and segmentation techniques tailored to their image dataset. It also addresses a critical challenge in fiber orientation analysis: the ambiguities caused by touching, overlapping, or partially cut fibers. It supports autorun examples for standardized workflows, enabling reproducible analysis and facilitating training and benchmarking. This tool significantly reduces manual intervention, enhances consistency, and accelerates data generation for structure–property modeling, process optimization, and digital materials research. The tool is intended for use by materials scientists, engineers, and researchers engaged in composite characterization, quality control, and machine learning-based microstructural studies.

Chawla, Komal [ORNL] (ORCID:0000000190327565)↗

NASA NTRS1990

Infrared thermal imaging of atmospheric turbulence

A technique for analyzing infrared atmospheric images to obtain cross-wind measurement is presented. The technique is based on Taylor's frozen turbulence hypothesis and uses cross-correlation of successive images to obtain a measure of the cross-wind velocity in a localized focal region. The technique is appealing because it can possibly be combined with other IR forward look capabilities and may provide information about turbulence intensity. The current research effort, its theoretical basis, and its applicability to windshear detection are described.

Watt, David↗