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Uncertainty Quantification of Inducer Eigenvalues using Conditional Assessment of Models and Modal Test of Simpler Systems

The low pressure fuel pump inducer of the new Space Launch System RS25 core stage engine operates in a highly complex environment that substantially affects its modal characteristics. Some of the more important effects are fluid-added mass resulting from operation within a light liquid (Hydrogen), and the magnification of this effect due to tight tip clearance. Since higher order cavitation has been identified as a significant harmonic driver, knowledge of the natural frequency of potentially excitable modes is critical for safe operation, but this frequency cannot be measured during the severe operational environment. A comprehensive testing and analysis program has therefore been performed over the last four years to identify the nominal value and uncertainty of the frequency by modeling and testing four simpler structures which share some of the characteristics of the operational inducer. This testing was used to assess and adjust modeling techniques and excellent correlation was achieved. Identification of the uncertainty in the inducer frequency itself was still problematic, however. This difficulty led to an investigation of Bayesian uncertainty quantification techniques, and to the application of the relatively simple technique of Multi-Variate Normal conditional distributions to calculate the inducer natural frequency uncertainty. Assumptions on prior distributions of uncertainty of the fluid-added mass and tip clearance effect are initially applied to models of each of the simple structures and the inducer itself, and these uncertainties are propagated to generate natural frequencies using design of experiments. Simple response surfaces are then created from this data in order to calculate a Covariance Matrix relating all of these natural frequencies. Finally, the results from modal test of the simple structures are considered to be observations and used to calculate the conditional variance of the desired inducer frequencies. As this method is less rigorous than more complicated Bayesian methods reported in the literature, a conservative factor is applied to the result, but the resulting uncertainty is still significantly less than originally estimated and will greatly assist certification of the inducer for use in the engine.

Uncertainty Quantification↗

NASA NTRS2022

Neurosymbolic Hybrid Approach to Driver Collision Warning

There are two main algorithmic approaches to autonomous driving systems: (1) An end-to-end system in which a single deep neural network learns to map sensory input directly into appropriate warning and driving responses. (2) A mediated hybrid recognition system in which a system is created by combining independent modules that detect each semantic feature. While some researchers believe that deep learning can solve any problem, others believe that a more engineered and symbolic approach is needed to cope with complex environments with less data. Deep learning alone has achieved state-of-the-art results in many areas, from complex gameplay to predicting protein structures. In particular, in image classification and recognition, deep learning models have achieved accuracies as high as humans. But sometimes it can be very difficult to debug if the deep learning model doesn't work. Deep learning models can be vulnerable and are very sensitive to changes in data distribution. Generalization can be problematic. It's usually hard to prove why it works or doesn't. Deep learning models can also be vulnerable to adversarial attacks. Here, we combine deep learning-based object recognition and tracking with an adaptive neurosymbolic network agent, called the Non-Axiomatic Reasoning System (NARS), that can adapt to its environment by building concepts based on perceptual sequences. We achieved an improved intersection-over-union (IOU) object recognition performance of 0.65 in the adaptive retraining model compared to IOU 0.31 in the COCO data pre-trained model. We improved the object detection limits using RADAR sensors in a simulated environment, and demonstrated the weaving car detection capability by combining deep learning-based object detection and tracking with a neurosymbolic model.

Wang, Pei↗

NASA NTRS1979

Correlation of predicted and measured thermal stresses on an advanced aircraft structure with similar materials

A laboratory heating test simulating hypersonic heating was conducted on a heat-sink type structure to provide basic thermal stress measurements. Six NASTRAN models utilizing various combinations of bar, shear panel, membrane, and plate elements were used to develop calculated thermal stresses. Thermal stresses were also calculated using a beam model. For a given temperature distribution there was very little variation in NASTRAN calculated thermal stresses when element types were interchanged for a given grid system. Thermal stresses calculated for the beam model compared similarly to the values obtained for the NASTRAN models. Calculated thermal stresses compared generally well to laboratory measured thermal stresses. A discrepancy of signifiance occurred between the measured and predicted thermal stresses in the skin areas. A minor anomaly in the laboratory skin heating uniformity resulted in inadequate temperature input data for the structural models.

Jenkins, J. M.↗

DOE OSTI2025

Scalable edge clustering of dynamic graphs via weighted line graphs

Timestamped relational datasets consisting of records (or connections) between pairs of entities are ubiquitous in network science. For applications like peer-to-peer communication, email, various social network interactions, and computer network security, it is useful to organize these records into groups based on how and when they are occurring. Weighted line graphs offer a natural way to model how records are related in such datasets but for large real-world graph topologies, building and utilizing the line graph is prohibitively expensive. Here, we present the framework to cluster the edges of a dynamic graph via the associated line graph that contains two major contributions. The first is a method to work with the line graph implicitly and the second is a distributed scale implementation of an agglomerative hierarchical graph clustering algorithm. We outline a novel hierarchical dynamic graph edge clustering approach that efficiently breaks massive relational datasets into small sets of edges containing events at various timescales. This is in stark contrast to traditional graph clustering algorithms that prioritize highly connected (clique-like) community structures. Our approach relies on constructing a sufficient subgraph of a weighted line graph and applying a hierarchical agglomerative clustering. This approach is related to scalable techniques from spatial clustering, nonlinear-dimension reduction, topological data analysis, and draws particular inspiration from HDBSCAN. As an edge clustering, this method yields an overlapping node clustering. Our algorithm is parallelizable and we demonstrate efficient clustering of a billion-scale, real-world dynamic graph into small edge sets that correlate in topology and time. The entire clustering process for a graph with tens of billions of edges takes just a few minutes of run time on 256 nodes of a distributed compute environment. We argue how the output of the edge clustering is useful for a multitude of data visualization and powerful machine learning tasks, both involving the original massive dynamic graph data and metadata associated with the nodes and edges. Finally, we describe how this approach can be extended to dynamic hypergraphs and dynamic graphs/hypergraphs with unstructured data living on vertices and edges.

Data Analysis↗

NASA NTRS2021

An XMM-Newton Early-type Galaxy Atlas

The distribution of hot interstellar medium in early-type galaxies(ETGs)bears the imprint of the various astrophysical processes it underwent during its evolution. The X-ray observations of these galaxies have identified various structural features related to active galactic nucleus(AGN)and stellar feedback and environmental effects such as merging and sloshing. In our XMM-Newton Galaxy Atlas(NGA)project, we analyze archival observations of 38 ETGs, utilizing the high sensitivity and large field of view of XMM-Newton to construct spatially resolved 2D spectral maps of the hot gas halos. To illustrate our NGA data products in conjunction with the Chandra Galaxy Atlas, we describe two distinct galaxies, NGC 4636 and NGC 1550, in detail. We discuss the revolutionary history with a particular focus on the asymmetric distribution of metal-enriched, low-entropy gas caused by sloshing and AGN-driven uplift. We will release the NGA data products to a dedicated website, from where users can download them to perform further analyses.

Nazma Islam↗

DOE OSTI2025

Assessment of thermally driven local structural phase changes in 1⁢𝑇′−MoTe 2

The role of layer disorder is important in establishing the topological phases of MoTe 2 . A rich tapestry of atomic ordering influences the structural phase transitions (SPTs), but there is little understanding of the mechanistic details of the phase transition. An atomistic level study was conducted to investigate the local structure of the 1⁢𝑇′ and 𝑇 𝑑 phases of MoTe 2 by using the pair distribution function (PDF) technique. While the average structure exhibits an SPT and coexistence of phases as a function of temperature, the local structure showed the suppression of SPT. The sample retained its monoclinic structure at all temperatures in short-range order. A sharp PDF peak observed at short distances indicated a strong atom-atom correlation between the Mo and Te atoms within the Mo octahedra. In addition, a large-box modeling of the PDF data indicated a preferential motion of Te atoms towards 𝑐 axis at all temperatures. Structural defects, such as stacking faults, likely result in the coexistence of phases in the average structure and suppress the local SPT of MoTe 2 . These results are stepping stones to understand the long-debated origins of structural, vibrational, and electronic properties of MoTe 2 and similar transition metal dichalcogenides.

2-dimensional systems↗

DOE OSTI2025

Elastic scattering in the 12 N + 197 Au system at 𝐸 lab = 70 MeV

Halo structure is an interesting exotic configuration developed in some light weakly bound nuclei, where a valence particle orbits a nuclear core. Signatures of halo structure can be observed in the angular distributions of the elastic scattering induced by these nuclei at energies around the Coulomb barrier. There are some well-studied reactions with neutron-rich halo nuclei, such as 6 He and 11 Li . However, the information is scarce on the proton-rich side. Recent works confirm the halo structure in the 8B nuclei but still lack more experimental studies for other proton-halo candidates, such as 12 N and 17 F. In this work, we report experimental data for the elastic scattering of 12 N on 197 Au target at 𝐸 lab = 70 MeV. The 12 N is a proton-rich nucleus with proton separation energy 𝑆 𝑝 = 600 keV, which is higher than the 8 B (𝑆 𝑝 = 137 keV) and almost the same as the 17 F (𝑆 𝑝 = 601 keV). Data were obtained at the Cyclotron Institute of Texas A&M University where the 12 N radioactive beam was produced by the momentum achromatic recoil spectrometer. The calculation of the optical model was used to fit the measured angular distribution for the elastic scattering and to obtain the reaction cross section 𝜎 𝑅 . We also performed continuum discretized coupled-channel calculations to compare with the experimental data. The angular distribution of the elastic cross sections exhibits a suppression of the Fresnel peak. From the fitting of the optical model, we obtain the total reaction cross section, 𝜎 𝑅 = 1269 ± 41 mb. The agreement between the CDCC calculation and the experimental elastic scattering data is limited and the breakdown does not exhaust the measured 𝜎 𝑅 . The resulting reduced reaction cross section 𝜎 Red for 12 N + 197 Au is large and comparable to the one obtained for the 8 B + 208 Pb system. This suggests a strong decoupling of the valence proton from the core because of the low binding energy and a dynamic polarization effect. Here, more research is required to estimate the contribution of core excitation.

Elastic scattering reactions↗

DOE OSTI2021

Magnetic structure, excitations and short-range order in honeycomb Na 2 Ni 2 TeO 6

Na 2 Ni 2 TeO 6 has a layered hexagonal structure with a honeycomb lattice constituted by Ni 2+ and a chiral charge distribution of Na + that resides between the Ni layers. In the present work, the antiferromagnetic transition temperature of Na 2 Ni 2 TeO 6 is confirmed at TN˜ 27 K, and further, it is found to be robust up to 8 T magnetic field and 1.2 GPa external pressure; and, without any frequency-dependence. Slight deviations from nominal Na-content (up to 5%) does not seem to influence the magnetic transition temperature, TN. Isothermal magnetization curves remain almost linear up to 13 T. Our analysis of neutron diffraction data shows that the magnetic structure of Na 2 Ni 2 TeO 6 is faithfully described by a model consisting of two phases described by the commensurate wave vectors vec kc, (0.5 0 0) and (0.5 0 0.5), with an additional short-range order component incorporated in to the latter phase. Consequently, a zig-zag long-range ordered magnetic phase of Ni 2+ results in the compound, mixed with a short-range ordered phase, which is supported by our specific heat data. Theoretical computations based on density functional theory (DFT) predict predominantly in-plane magnetic exchange interactions that conform to a J1-J2-J3 model with a strong J3 term. The computationally predicted parameters lead to a reliable estimate for TN and the experimentally observed zig-zag magnetic structure. A spin wave excitation in Na 2 Ni 2 TeO 6 at E ˜ 5 meV at T = 5 K is mapped out through inelastic neutron scattering experiments, which is reproduced by linear spin wave theory calculations using the J values from our computations. Our specific heat data and inelastic neutron scattering data strongly indicate the presence of short-range spin correlations, at T > TN, stemming from incipient antiferromagnetic clusters.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Determination of excited state molecular structures from time-resolved gas-phase X-ray scattering

We present a comprehensive investigation of a recently introduced method to determine transient structures of molecules in excited electronic states with sub-ångstrom resolution from time-resolved gas-phase scattering signals. The method, which is examined using time-resolved X-ray scattering data measured on the molecule N-methylmorpholine (NMM) at the Linac Coherent Light Source (LCLS), compares the experimentally measured scattering patterns against the simulated patterns corresponding to a large pool of molecular structures to determine the full set of structural parameters. In addition, we examine the influence of vibrational state distributions and find the effect negligible within the current experimental detection limits, despite that the molecules have a comparatively high internal vibrational energy. Here, the excited state structures determined using three structure pools generated using three different computational methods are in good agreement, demonstrating that the procedure is largely independent of the computational chemistry method employed as long as the pool is sufficiently expansive in the vicinity of the sought structure and dense enough to yield good matches to the experimental patterns.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2019

Vibrational theory for monatomic liquids

The construction of the vibration-transit theory of liquid dynamics is being presented in three sequential research reports. The first is on the entire condensed-matter collection of N -atom potential energy valleys and identification of the random valleys as the liquid domain. The present (second) report defines the vibrational Hamiltonian and describes its application to statistical mechanics. The following is a brief list of the major topics treated here. The vibrational Hamiltonian is universal, in that its potential energy is a single 3 N -dimensional harmonic valley. The anharmonic contribution is also treated. The Hamiltonian is calibrated from first-principles calculations of the structural potential and the vibrational frequencies and eigenvectors. Exact quantum-statistical-mechanical functions are expressed in universal equations and are evaluated exactly from vibrational data. Exact classical-statistical-mechanical functions are also expressed in universal equations and are evaluated exactly from a few moments of the vibrational frequency distribution. The complete condensed-matter distributions of these moments are graphically displayed, and their use in statistical mechanics is clarified. In conclusion, the third report will present transit theory, which treats the motion of atoms between the N -atom potential energy valleys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Object Proxy Patterns for Accelerating Distributed Applications

Workflow and serverless frameworks have empowered new approaches to distributed application design by abstracting compute resources. However, their typically limited or one-size-fits-all support for advanced data flow patterns leaves optimization to the application programmer—optimization that becomes more difficult as data become larger. The transparent object proxy, which provides wide-area references that can resolve to data regardless of location, has been demonstrated as an effective low-level building block in such situations. Here we propose three high-level proxy-based programming patterns—distributed futures, streaming, and ownership—that make the power of the proxy pattern usable for more complex and dynamic distributed program structures. We motivate these patterns via careful review of application requirements and describe implementations of each pattern. As a result, we evaluate our implementations through a suite of benchmarks and by applying them in three meaningful scientific applications, in which we demonstrate substantial improvements in runtime, throughput, and memory usage.

Distributed Computing↗

DOE OSTI2023

Cold-cap structure in a slurry-fed electric melter

We report as glass batch is charged into an electric melter, a cold cap forms on the glass melt surface. Heat transfer to the cold cap from the molten glass below and the melter atmosphere above determines the melting rate. A mathematical model of the cold cap and the experimental kinetic data of the feed-to-glass conversion that were collected for several simulated low-activity and high-level waste melter feeds allowed us to develop relationships between the internal structure of the cold cap, its properties, its thickness, and the internal heat transfer. This contribution shows the distribution of major crystalline phases and the cumulative evolution of gases within the cold cap. It also examines the temperature, conversion degree, and heating rate the melter feed is experiencing during the passage through the cold cap and their effects on the cold-cap bottom temperature and morphology, which are important for the computational fluid dynamics simulations of melters.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Constraints on the Spacetime Variation of the Fine-structure Constant Using DESI Emission-line Galaxies

We present strong constraints on the spacetime variation of the fine-structure constant α using the Dark Energy Spectroscopic Instrument (DESI). In this pilot work, we utilize ∼110,000 galaxies with strong and narrow [O III ] λλ4959, 5007 emission lines to measure the relative variation Δα/α in space and time. The [O III ] doublet is arguably the best choice for this purpose owing to its wide wavelength separation between the two lines and its strong emission in many galaxies. Our galaxy sample spans a redshift range of 0 < z < 0.95, covering half of all cosmic time. We divide the sample into subsamples in 10 redshift bins (Δz = 0.1), and calculate Δα/α for the individual subsamples. The uncertainties of the measured Δα/α are roughly between 2 × 10 −6 and 2 × 10 −5 . We find an apparent α variation with redshift at a level of Δα/α = (2–3) × 10 −5 . This is highly likely to be caused by systematics associated with wavelength calibration, since such small systematics can be caused by a wavelength distortion of 0.002–0.003 Å, which is beyond the accuracy that the current DESI data can achieve. We refine the wavelength calibration using sky lines for a small fraction of the galaxies, but this does not change our main results. We further probe the spatial variation of α in small redshift ranges, and do not find obvious, large-scale structures in the spatial distribution of Δα/α. As DESI is ongoing, we will include more galaxies, and by improving the wavelength calibration, we expect to obtain a better constraint that is comparable to the strongest current constraint.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1974

A reconnaissance space sensing investigation of crustal structure for a strip from the eastern Sierra Nevada to the Colorado Plateau

The author has identified the following significant results. Studies were conducted in key field areas in the Sierra Nevada, the Basin Range Province and the Colorado Plateau to evaluate the origins and significance of geologic and structural anomalies expressed in the ERTS-1 data. The investigation included development of image enhancement and analysis techniques and comparison of remote sensing data available over the test site. The ERTS-1 MSS imagery has proven to be an effective tool for studying the interrelationsships between Cenozoic tectonic patterns and the distributions of Cenozoic plutonism and volcanism, seismic activity, geologic hazards, and known mineral, geothermal and ground water resources. Recommendations are made for applications of ERTS-1 data to natural and resource exploration and management.

Liggett, M. A.↗

NASA NTRS1976

Explorer 45 observations of the proton ring current

Explorer 45 satellite data on the stormtime proton ring current are reported and analyzed. Storm-associated variations of equatorially mirroring protons, interactions between the ring current and the plasmapause, and storm recovery phase behavior are discussed. Pitch-angle distributions are plotted as a function of proton energy and radial distance, the structure implying domination of pitch-angle diffusion of ring-current protons in the plasmapause region by resonant interactions with ion cyclotron waves during storm recovery. The anisotropic precipitation in the plasmapause region and the more poleward isotropic precipitation observed at low altitudes outside the plasmapause are compared and distinguished.

Lyons, L. R.↗

NASA NTRS1977

Extreme ultraviolet photometer for observations of helium in interplanetary space

A four-channel photometer sensitive to two solar EUV lines which are resonantly scattered by helium gas was developed for flight on the Apollo-Soyuz Test Project. Two channels observed the 58.4-nm line of He I and used helium gas resonant absorption cells to determine the intensities of the center and wings of that line. The other two channels observed the 30.4-nm line of He II. The instrument surveyed much of the celestial sphere during a series of slow rolling maneuvers by the Apollo spacecraft. The experiment operated properly, and usable data were obtained. Study of the distributions of flux seen, and of the ratio 58.4-nm fluxes seen with gas cells full and empty, will refine current understanding of several poorly known properties of the local interstellar medium. Study of the 30.4-nm flux distribution will refine present knowledge of the structure of the earth's plasmasphere.

Bowyer, S.↗

NASA NTRS1981

Advances in Serial MSK modems

Lumped element as well as distributed element networks are used in the Serial MSK (SMSK) modems, for 20-1000 Mbps data rate range applications, whose design and performance characteristics are described. It is noted that the use of baseband conversion filters for the modulator yields good performance in many applications, with typical matched filter designs (structurally simple to implement) causing less than 0.5 dB bit error rate performance degradation. The SMSK modem technique begins with the use of a biphased shift-keyed modulator, and then employs passive filters to obtain the MSK signal.

Ryan, C. R.↗

NASA NTRS1985

Ultraviolet interstellar absorption toward stars in the Small Magellanic Cloud. III - The structure and kinematics of the Small Magellanic Cloud

The structural and kinematic properties of the Small Magellanic Cloud (SMC) were studied by combining IUE satellite observations of individual bright stars (Sk 159 and HD 5980) with existing optical and radio data. It is shown that the SMC has a complex structure due to gravitational interaction with the Milky Way and the Large Magellanic Cloud (LMC). Stars observed in the southwest regions of the SMC were associated with the 134 km/s H I complex. H II regions in the SMC were distributed according to a rotational velocity of 167 km/s. All IUE high-dispersion targets exhibit ultraviolet absorption near 100 km/s and 200 km/s. It is shown that the absorption arises in the widespread H I complexes at velocities similar to the H II regions. Some possible explanations for the origin of H II and H I regions in the SMC are discussed. The locations of the nine high-dispersion IUE targets in the SMC are given.

Fitzpatrick, E. L.↗