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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Structural Element Testing in Support of the Design of the NASA Composite Crew Module

In January 2007, the NASA Administrator and Associate Administrator for the Exploration Systems Mission Directorate chartered the NASA Engineering and Safety Center (NESC) to design, build, and test a full-scale Composite Crew Module (CCM). For the design and manufacturing of the CCM, the team adopted the building block approach where design and manufacturing risks were mitigated through manufacturing trials and structural testing at various levels of complexity. Following NASA's Structural Design Verification Requirements, a further objective was the verification of design analysis methods and the provision of design data for critical structural features. Test articles increasing in complexity from basic material characterization coupons through structural feature elements and large structural components, to full-scale structures were evaluated. This paper discusses only four elements tests three of which include joints and one that includes a tapering honeycomb core detail. For each test series included are specimen details, instrumentation, test results, a brief analysis description, test analysis correlation and conclusions.

Kellas, Sotiris↗
DOE OSTI2025

Tutorial: Machine-Learning-Based CREASE-2D Analysis of 2D SAXS Profiles to Characterize Anisotropic Nanostructures in Soft Materials

We present a tutorial to guide users on how to extend the Computational Reverse Engineering Analysis of Scattering Experiments-2D (CREASE-2D) framework to interpret their experimental two-dimensional small-angle scattering (SAS) data from soft materials (e.g., polymers, peptide amphiphiles, biomolecular fibrils). Unlike most traditional SAS analysis approaches, which typically rely on azimuthally averaged onedimensional (1D) profiles, CREASE-2D utilizes the complete 2D scattering profile to reveal information about anisotropy in the structure. In past applications, CREASE has provided insights into complex structural features, including the cross-sectional shapes of assembled nanostructures and dispersity in these features, which are difficult to discern with existing analytical models. While (1D- ) CREASE has been applied to SANS and SAXS data, this tutorial shares the steps for implementing CREASE-2D using an example of a dipeptide solution system, for which we have SAXS data. We present details for these steps involved in using CREASE-2D to interpret SAXS profiles: how to preprocess SAXS data, define relevant structural features, generate three-dimensional real-space structures for specific values of these features, train a machine learning (ML) surrogate model to predict scattering profiles for given structural features, and optimize these features using genetic algorithms (GA). Then, we use these steps to interpret complex 2DSAXS data collected from dipeptide solutions that, in microscopy images, exhibit nanoscale structures that could be elliptical tubes/ flat tapes/cylinders or a combination of these cross sections. Open-source codes, computational hardware, and software requirements, as well as the strengths and limitations of this protocol, are also presented. We expect researchers working with (soft) biomaterials, peptide amphiphiles, amphiphilic polymer solutions, polymer nanocomposites, and blends of particles/polymers will find this CREASE-2D method and this tutorial of use.

CREASE↗
NASA NTRS1979

Geological map of parts of the state of Sao Paulo based on LANDSAT images

The author has identified the following significant results. Interpretation of LANDSAT images revealed the subdivision of the Bauru formation into three distinct lithofacies. Delineation of structural features yielded new information on paleoenvironmental reconstitution and hydrogeology. Structural features and photogeological units were revealed in the precambrian basement at the eastern portion of the state.

Dejususparada, N.↗
DOE OSTI2025

Unveiling X-ray absorption signatures of boron nitride via first-principles simulation and machine learning

Boron nitride (BN) allotropes hold great promise in many advanced applications ranging from optical and photonic devices to energy storage and battery systems to tribological components. The diverse functionalities of this material stem from BN’s highly tunable structural and electronic properties, which are governed by the versatile boron–nitrogen bonding configurations. Exploring the structural landscape of BN can unveil novel structures possessing unique properties suited for specific applications, therefore accelerating the design of next-generation advanced functional materials. In this work, we leverage boron K-edge X-ray absorption spectroscopy (XAS) as an effective probe for local structural features and chemical environments. A total of 210 BN crystal structures are generated via analogies to the extensive array of carbon allotropes, and XAS is simulated for each unique local motif within the resulting collection of structures. A mapping between structural features and spectral signatures was established by synergizing first-principle simulations with data-driven based post-analysis approaches. Specifically, we developed a neural network model that can satisfactorily predict spectra line shapes from local structural descriptors. Toward automatic spectroscopic interpretation of any new BN structures, supervised machine learning models, trained on this structure–spectrum dataset, can accurately infer local coordination environments from simulated XAS, highlighting the strength of this unique approach of combining high-fidelity first-principles simulation and machine-learning to accelerate target design of novel BN materials via rational understanding of local structure-spectrum correlations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Primitive Cubic Cation-Disordered Niobium Tungsten Oxides

In recent years, metastable cation-disordered oxides have had a significant impact on both fundamental and application-driven materials science research. Along this direction, developing new and simple structural types that can accommodate cation disorder at the same crystallographic site has yet to receive extensive research focus. In this work, we use niobium tungsten oxides (NbWOs), a series of materials encompassing diverse structural features, as a material platform to explore new cation-disordered structural types. Relying on mechanochemistry, we realized primitive cubic cation-disordered NbWOs with a ReO 3 -type structure, featuring unique electronic and vibrational properties. Furthermore, when applied as a Li-ion battery anode, the materials undergo a unique perovskite-rock salt structural change mechanism, different from that of complex ordered NbWOs. All these advancements suggest a rich opportunity in developing other new material structural types and realizing new material properties based on the methodology of the work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Gaussian windows: A tool for exploring multivariate data

Presented here is a method for interactively exploring a large set of quantitative multivariate data, in order to estimate the shape of the underlying density function. It is assumed that the density function is more or less smooth, but no other specific assumptions are made concerning its structure. The local structure of the data in a given region may be examined by viewing the data through a Gaussian window, whose location and shape are chosen by the user. A Gaussian window is defined by giving each data point a weight based on a multivariate Gaussian function. The weighted sample mean and sample covariance matrix are then computed, using the weights attached to the data points. These quantities are used to compute an estimate of the shape of the density function in the window region. The local structure of the data is described by a method similar to the method of principal components. By taking many such local views of the data, we can form an idea of the structure of the data set. The method is applicable in any number of dimensions. The method can be used to find and describe simple structural features such as peaks, valleys, and saddle points in the density function, and also extended structures in higher dimensions. With some practice, we can apply our geometrical intuition to these structural features in any number of dimensions, so that we can think about and describe the structure of the data. Since the computations involved are relatively simple, the method can easily be implemented on a small computer.

Jaeckel, Louis A.↗
NASA NTRS1976

Volcanology and morphology

Apollo 15 photographs of the southern parts of Serenitatis and Imbrium were used for a study of the morphology and distribution of wrinkle ridges. Volcanic and structural features along the south margin of Serenitatis were also studied, including the Dawes basalt cinder cones. Volcanic and structural features in crater Aitken were investigated as well. Study of crater Goclenius showed a close relationship between morphology of the impact crater and grabens which tend to parallel directions of the lunar grid. Similar trends were observed in the walls of crater Tsiolkovsky and other linear structures. Small craters of possible volcanic origin were also studied. Possible cinder cones were found associated with the Dawes basalt and in the floor of craters Aitken and Goclenius. Small pit craters were observed in the floors of these craters. Attempts were made to obtain contour maps of specific small features and to compare Orbiter and Apollo photographs to determine short term changes associated with other processes.

Bryan, W. B.↗
NASA NTRS1977

Structural lineament and pattern analysis of Missouri, using LANDSAT imagery

The author has identified the following significant results. Major linear, circular, and arcuate traces were observed on LANDSAT imagery of Missouri. Lineaments plotted within the state boundaries range from 20 to nearly 500 km in length. Several extend into adjoining states. Lineaments plots indicate a distinct pattern and in general reflect structural features of the Precambrian basement of the platform. Coincidence of lineaments traced from the imagery and known structural features in Missouri is high, thus supporting a causative relation between them. The lineament pattern apparently reveals a fundamental style of the deformation of the intracontinental craton. Dozens of heretofore unknown linear features related to epirogenic movements and deformation of this segment of the continental crust were delineated. Lineaments and mineralization are interrelated in a geometrically classifiable pattern.

Martin, J. A.↗
DOE OSTI2025

Impact of the d 0 transition metal on local structural transformations in disordered rock salt cathodes

Although it is widely accepted that the long-range (average) crystal structure plays a critical role in determining the electrochemical performance of battery materials, the relationship between local structural features and electrochemical performance is rarely studied. Disordered rock salt oxides (DRX), which have become serious contenders for next generation Li-ion electrode materials, provide an ideal platform for exploring correlations between local structure and electrochemical performance as they exhibit a simple face-centered cubic structure and combine long-range disorder and short-range order on the cation sublattice. This work examines the Li 1.1 Mn 0.7 Zr 0.2−x Ti x O 2 series of DRX cathodes and investigates the links between local structure rearrangements and capacity activation. The end-member Li 1.1 Mn 0.7 Zr 0.2 O 2 compound exhibits a low capacity in the as-synthesized state, attributed to unfavorable short-range order that hinders Li-ion transport, yet its capacity increases seven-fold, from 20 to 140 mAh g −1 , after chemical delithiation followed by a 400 °C heat treatment. Capacity activation is associated with the appearance of local spinel-like structural features that depart from the short-range order originally present in the material, without significant change to the bulk composition and average crystal structure. Investigation of a series of Li 1.1 Mn 0.7 Zr 0.2−x Ti x O 2 (x ≤ 0.2) DRX compounds reveals that the correlation length of the spinel-like ordering that emerges during the heat treatment strongly depends on the Zr : Ti ratio. Yet, dramatic capacity activation and electrochemical (pseudo-)plateaus reminiscent of Mn-based spinel cathodes are observed for all compounds irrespective of the size of the ordered domains. To explain this phenomenon, we propose that the DRX phase undergoes a complete transformation to a spinel-like domain structure, which improves bulk Li-ion transport regardless of domain size.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Innovative Structural Design Features for a 10 m Solar Sail Demonstrator

The successful development of sail architectures will require careful attention to a number of key issues including but not limited to material strength issues, stress conditions for the membrane, load interactions between membrane and structure, and membrane material planarity. Along with the inherent challenges of fabricating and handling very large membrane structures these issues will pose real challenges for the near-term development of practical sail technologies. SRS has developed innovative technologies that deal directly with the challenges of developing very large sail membranes. Some of these technologies include edge reinforcements and innovative reinforcement attachment techniques, production of flight durable sail materials of less than 2.5 micron thicknesses and large scale fabrication techniques. SRS has employed these technologies in several large 10 m demonstrators that have been delivered to LaRC for solar vacuum testing. Details of the design of this system will be discussed.

Laue, G.↗
DOE OSTI2026

Catalytic Triad-Inspired Nanozyme Catalysts for Ester Hydrolysis in Organic Solvent Mixtures

We synthesized a series of molecular nanozyme catalysts containing functional groups (imidazole, carboxylic acid, and hydroxyl groups) inspired by the catalytic triad found in natural serine hydrolases. Different structural features were incorporated using two distinct synthesis routes to investigate the influence of interactions beyond the active site on catalytic activity in designing molecular nanozymes. Molecular dynamics simulations suggest that nanozyme activity is affected by structural features that influence nanozyme hydrophilicity and the organization of the local solvent environment. The most active nanozyme showed activity comparable to the enzyme α-chymotrypsin for the hydrolysis of a model ester (4-nitrophenyl 4- hydroxybenzoate) in a 95:5 (v/v%) water/acetonitrile mixture at ambient temperature. Increasing the temperature and organic solvent content decreases the activity of α-chymotrypsin while enhancing the activity of the nanozymes. The nanozymes can be immobilized on supported metal nanoparticles using a dithiol self-assembled monolayer, which facilitates their removal from the postreaction solution. These results demonstrate the potential in creating solvent-tolerant bioinspired catalysts, thereby combining the advantages of biocatalysts and chemical catalysts as next-generation industrial catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Dynamic permeability in metastable droplet interfacial bilayers

Membrane pores are implicated in several critical functions, including cell fusion and the transport of signaling molecules for intercellular communication. However, these structural features are often difficult to probe directly. Droplet interfacial bilayers offer a synthetic platform to study such membrane properties. We develop a theory that links size-selective transport across a metastable membrane with its transient structural properties. The central quantity of our theory is a dynamic permeability that depends on the mechanism of pore growth, which controls the transient distribution of pore sizes in the membrane. We present a mechanical perspective to derive pore growth dynamics and the resulting size distribution for growth via Ostwald ripening and discuss how these dynamics compare to other growth mechanisms such as coalescence and growth through surfactant desorption. We find scaling relations between the transported particle size, the pore growth rate, and the time for a given fraction of particles to cross the membrane, from which one may deduce the dominant mechanism of pore growth, as well as material properties and structural features of the membrane. Finally, we suggest experiments using droplet interfacial bilayers to validate our theoretical predictions.

Sarma, Nivedina A↗
NASA NTRS1975

Effects of convection electric field on the distribution of ring current type protons

The topology of the boundaries of penetration (or, inversely, the boundaries of the forbidden regions) of 90-deg pitch-angle equatorial protons with energies less than 100 keV are explored for an equatorial convection E-field which is directed in general from dawn to dusk. Due to the dependence of drift path on energy (or magnetic moment), complex structural features are expected in the proton energy spectra detected by satellites since the penetration distance of a proton is not a monotonically increasing or decreasing function of energy. During a storm when the convection E is enhanced, model calculations predict elongations of the forbidden regions analogous to tail extensions of the plasmasphere. Following a reduction in the convection field, spiral-structured forbidden regions can occur. Structural features inherent to large-scale convection field changes may be seen in the nose-like proton spectrograms observed near dusk by instrumentation on Explorer 45. These nose events are modelled by using an electric field model developed originally by Volland (1973). The strength of the field is related to the Kp index through night-time equatorial plasmapause measurements.

Grebowsky, J. M.↗
DOE OSTI2025

How novel is protactinium: Insights into the structure and properties of (PaO) 2 (SO 4 ) 3 (H 2 O) 2

Because of the scarcity of protactinium and the challenges associated with its separation and crystallization, even in sulfuric acid media where protactinium is relatively stable, there has been an incomplete understanding of the structural features of protactinium complexes. The characterization of protactinium sulfate complexes has been limited to those in solution, which have left key details unaddressed since the 1960s. This report describes a synthetic strategy to crystallize a protactinium complex using boric acid and sulfuric acid. Herein, the authors detail the results of hydrothermal synthesis and the single-crystal analysis of a novel protactinium sulfate complex, (PaO) 2 (SO 4 ) 3 (H 2 O) 2 . This work has elucidated structural features, providing groundwork for accurate computational analysis and clarifying previously unknown details on the coordination, denticity, and binding properties of protactinium sulfate complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Machine learning-assisted profiling of a kinked ladder polymer structure using scattering

Ladder polymers consisting of fused rings in the backbone have very limited conformational freedom, which results in very different properties from traditional linear polymers. However, accurately determining their size and chain conformations from solution scattering remains a challenge. Their chain conformations of kinked ladder polymers are largely governed by the structures and relative orientations or configurations of the repeat units, unlike conventional polymer chains whose bending angles between repeat units follow a unimodal Gaussian distribution. Meanwhile, traditional scattering models for polymer chains do not account for these unique structural features. This work introduces a novel approach that integrates machine learning with Monte Carlo simulations to construct a model that can describe the geometry of a type of kinked CANAL ladder polymers. We first develop a Monte Carlo simulation model for sampling the configuration space of CANAL ladder polymers, where each repeat unit is modeled as a biaxial segment. Then, we establish a machine learning-assisted scattering analysis framework based on Gaussian Process Regression. Finally, we conduct small-angle neutron scattering experiments on a CANAL ladder polymer solution to apply our approach. Our method uncovers structural features of such ladder polymers that conventional methods fail to capture.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗
NASA NTRS1980

Deep convection on day 261 of GATE

The structural features of the deep convection observed on September 18, 1974, day 261 of the GARP Atlantic Tropical Experiment (GATE), as the ridge axis of a 700 mb wave passed the center of the GATE B-scale network are reported. Satellite and aircraft maps indicate the presence of clouds penetrating above 2.5 km into the middle troposphere organized in bands about 9 km apart and aligned roughly along the direction of the wind shear in the cloud layer. Radar echoes corresponding to cumulus convection of lifetime, peak height and peak rainfall rates on the orders of 30 min, 6 km and 1.3 mm/h, respectively, were observed to triple in number density as convergence at 950 hPa increased from 1.5 to 3 x 10 to the -5th/sec. The structural features of the radar echoes indicate that the day was similar to a mesoscale precipitation feature of Leary and Houe (1979), with the cluster consisting of many echoes appearing in succession. Data from aircraft penetrations of the deep convection reveal downdrafts accompanying the precipitation and updrafts immediately to their south. Shipboard and rawinsonde observations show that the convective downdrafts brought down air of low pseudo-equivalent potential temperature, with local surface convergence of up to 0.001/sec. Mean wind shears through the cloud layer to the top of a main cloud layer are found to be only 75% greater than those of Malkus (1958) for the Caribbean, with shears just above the cloud base several factors larger.

Warner, C.↗
NASA NTRS1999

Fatigue Analyses Under Constant- and Variable-Amplitude Loading Using Small-Crack Theory

Studies on the growth of small cracks have led to the observation that fatigue life of many engineering materials is primarily "crack growth" from micro-structural features, such as inclusion particles, voids, slip-bands or from manufacturing defects. This paper reviews the capabilities of a plasticity-induced crack-closure model to predict fatigue lives of metallic materials using "small-crack theory" under various loading conditions. Constraint factors, to account for three-dimensional effects, were selected to correlate large-crack growth rate data as a function of the effective stress-intensity factor range (delta-Keff) under constant-amplitude loading. Modifications to the delta-Keff-rate relations in the near-threshold regime were needed to fit measured small-crack growth rate behavior. The model was then used to calculate small-and large-crack growth rates, and to predict total fatigue lives, for notched and un-notched specimens under constant-amplitude and spectrum loading. Fatigue lives were predicted using crack-growth relations and micro-structural features like those that initiated cracks in the fatigue specimens for most of the materials analyzed. Results from the tests and analyses agreed well.

Newman, J. C., Jr.↗