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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Anelasticity and Phase Transition During Ramp-Release in Tin

This study examines the qualitative features of an anelasticity model associated with the bowing of dislocations in the presence of phase transition. A simple physically plausible mechanism is introduced to describe the interaction of anelasticity and the transformation. Varying the anelastic parameters results in strong differences in the deviatoric stress response. The model is applied to study the behavior of tin (Sn) and compared to data from ramp driven compression-release experiments. Tin exhibits a complex phase diagram within a relatively accessible range of temperature and pressures and the characterization of its phases is considered an open problem with significant scientific merit. The coupling between anelasticity, plasticity, and phase transformation contributes to release wave features traditionally associated with the phase transition effect alone suggesting the importance of accounting for the effects jointly. Posterior distributions of the plastic and anelastic parameters are computed using Bayesian-inference-based methods, further highlighting the importance of anelasticity in this regime.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Catlas: an automated framework for catalyst discovery demonstrated for direct syngas conversion

Catalyst discovery is paramount to support access to energy and key chemical feedstocks in a post fossil fuel era. Exhaustive computational searches of large material design spaces using ab initio methods like density functional theory (DFT) are infeasible. We seek to explore large design spaces at relatively low computational cost by leveraging large, generalized, graph-based machine learning (ML) models, which are pretrained and therefore require no upfront data collection or training. We present Catlas, a framework that distributes and automates the generation of adsorbate-surface configurations and ML inference of DFT energies to achieve this goal. Catlas is open source, making ML assisted catalyst screenings easy and available to all. To demonstrate its efficacy, we use Catlas to explore catalyst candidates for the direct conversion of syngas to multi-carbon oxygenates. For this case study, we explore 947 stable/metastable binary, transition metal intermetallics as possible catalyst candidates. On this subset of materials, we are able to predict the adsorption energy of key descriptors, *CO and *OH, with good accuracy (0.16, 0.14 eV MAE, respectively). Using the projected selectivity towards C 2+ oxygenates from an existing microkinetic model, we identified 144 candidate materials. For 10 promising candidates, DFT calculations reveal a good correlation with our assessment using ML. Finally, among the top elemental combinations were Pt–Ti, Pd–V, Ni–Nb, and Ti–Zn, all of which appear unexplored experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

High-energy-density-physics measurements in implosions using Bayesian inference

Convergent high-energy-density (HED) experimental platforms are used to study matter under some of the most extreme conditions that can be produced on Earth, comparable to the interior of stars. There are many challenges in using these systems for fundamental measurements currently being addressed by new analysis methods, such as the combination of a reduced physics model and Bayesian inference, allowing a self-consistent inference of physical quantities with a robust error analysis. These methods in combination with simple (as compared to inertial confinement fusion implosions) implosion platforms, which can be modified to show sensitivity to different physical mechanisms of interest, are used to study the physical properties of matter under extreme conditions. This work discusses a subset of implosion targets for studying opacity effects, electron-ion equilibration, and thermal conductivity and, as an example, a system consisting of a thick-shelled, gas-filled laser-direct-drive implosion is used to show how a reduced model and Bayesian inference can help inform experimental design decisions such as diagnostic choice. It is shown that for this system that a combination of neutron and x-ray self-emission diagnostics is critical for constraining the details of the thermodynamic states in the system and that the conductivity exponent in a Spitzer like framework can be constrained to the 30% level in deuterium at gigabar conditions. Furthermore, this process can be applied to many HED systems to make underlying model assumptions explicit and facilitate experimental design and analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Multi-Modal Bayesian Neural Network Surrogates with Conjugate Last-Layer Estimation

As data collection and simulation capabilities advance, multi-modal learning, the task of learning from multiple modalities and sources of data, is becoming an increasingly important area of research. Surrogate models that learn from data of multiple auxiliary modalities to support the modeling of a highly expensive quantity of interest have the potential to aid outer loop applications such as optimization, inverse problems, or sensitivity analyses when multi-modal data are available. We develop two multi-modal Bayesian neural network surrogate models and leverage conditionally conjugate distributions in the last layer to estimate model parameters using stochastic variational inference (SVI). We provide a method to perform this conjugate SVI estimation in the presence of partially missing observations. Here, we demonstrate improved prediction accuracy and uncertainty quantification compared to unimodal surrogate models for both scalar and time series data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Gauges, loops, and polynomials for partition functions of graphical models

Graphical models represent multivariate and generally not normalized probability distributions. Computing the normalization factor, called the partition function, is the main inference challenge relevant to multiple statistical and optimization applications. The problem is #P-hard that is of an exponential complexity with respect to the number of variables. Here, aimed at approximating the partition function, we consider multi-graph models where binary variables and multivariable factors are associated with edges and nodes, respectively, of an undirected multi-graph. We suggest a new methodology for analysis and computations that combines the Gauge function technique from Chertkov and Chernyak with the technique developed in Anari and Oveis Gharan 2017 arXiv:1702.02937; Gurvits 2011 arXiv:1106.2844; Straszak and Vishnoi 2017 55th Annual Allerton Conf. on Communication, Control, and Computing, based on the recent progress in the field of real stable polynomials. We show that the Gauge function, representing a single-out term in a finite sum expression for the partition function which achieves extremum at the so-called belief-propagation gauge, has a natural polynomial representation in terms of gauges/variables associated with edges of the multi-graph. Moreover, Gauge function can be used to recover the partition function through a sequence of transformations allowing appealing algebraic and graphical interpretations. Algebraically, one step in the sequence consists of the application of a differential operator over gauges associated with an edge. Graphically, the sequence is interpreted as a repetitive elimination/contraction of edges resulting in multi-graph models on decreasing in size (number of edges) graphs with the same partition function as in the original multi-graph model. Even though the complexity of computing factors in the sequence of the derived multi-graph models and respective Gauge functions grow exponentially with the number of eliminated edges, polynomials associated with the new factors remain bi-stable if the original factors have this property. Moreover, we show that BP estimations in the sequence do not decrease, each low-bounding the partition function.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A 3D Implementation of Convolutional Neural Network for Fast Inference

Low latency inference has many applications in edge machine learning. In this paper, we present a run-time configurable convolutional neural network (CNN) inference ASIC design for low-latency edge machine learning. By implementing a 5-stage pipelined CNN inference model in a 3D ASIC technology, we demonstrate that the model distributed on two dies utilizing face-to-face (F2F) 3D integration achieves superior performance. Our experimental results show that the design based on 3D integration achieves 43% better energy-delay product when compared to the traditional 2D technology.

Miniskar, Narasinga Rao↗
DOE OSTI2025

Evaluation of data driven low-rank matrix factorization for accelerated solutions of the Vlasov equation

Low-rank methods have shown success in accelerating simulations of a collisionless plasma described by the Vlasov equation, but still rely on computationally costly linear algebra every time step. We propose a data-driven factorization method using artificial neural networks, specifically with convolutional layer architecture, that trains on existing simulation data. At inference time, the model outputs a low-rank decomposition of the distribution field of the charged particles, and we demonstrate that this step is faster than the standard linear algebra technique. Numerical experiments show that the method achieves comparable reconstruction accuracy for interpolation tasks, generalizing to unseen test data in a manner beyond just memorizing training data; patterns in factorization also inherently followed the same numerical trend as those within algebraic methods (e.g., truncated singular-value decomposition). However, when training on the first 70% of a time-series data and testing on the remaining 30%, the method fails to meaningfully extrapolate. Despite this limiting result, the technique may have benefits for simulations in a statistical steady-state or otherwise showing temporal stability. These results suggest that while the model offers a computationally efficient alternative for datasets with temporal stability, its current formulation is best suited for interpolation rather than for predicting future states in time-evolving systems. This study thus lays the groundwork for further refinement of neural network-based approaches to low-rank matrix factorization in high-dimensional plasma simulations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

Principal sources and dispersal patterns of suspended particulate matter in nearshore surface waters of the northeast Pacific Ocean and the Hawaiian Islands

The author has identified the following significant results. ERTS-1 multispectral scanner imagery of the nearshore surface waters of the Northeast Pacific Ocean is proving to be a useful tool for determining source and dispersal of suspended particulate matter. The principal sources of the turbid water, seen best on the green and red bands, are river and stream effluents and actively eroding coastlines; secondary sources are waste effluents and production of planktonic organisms, but these may sometimes be masked by the very turbid plumes of suspended sediment being discharged into the nearshore zone during times of high river discharge. The configuration and distribution of the plumes of turbid water also can be used to infer near-surface current directions. Comparison of imagery of the nearshore water off the northern California coast from October 1972 and January 1973 shows a reversal of the near-surface currents, from predominantly south-setting in the fall (California Current) to north-setting in the winter (Davidson Current).

Carlson, P. R.↗
NASA NTRS1977

Nonplanar wing load-line and slender wing theory

Nonplanar load line, slender wing, elliptic wing, and infinite aspect ratio limit loading theories are developed. These are quasi two dimensional theories but satisfy wing boundary conditions at all points along the nonplanar spanwise extent of the wing. These methods are applicable for generalized configurations such as the laterally nonplanar wing, multiple nonplanar wings, or wing with multiple winglets of arbitrary shape. Two dimensional theory infers simplicity which is practical when analyzing complicated configurations. The lateral spanwise distribution of angle of attack can be that due to winglet or control surface deflection, wing twist, or induced angles due to multiwings, multiwinglets, ground, walls, jet or fuselage. In quasi two dimensional theory the induced angles due to these extra conditions are likewise determined for two dimensional flow. Equations are developed for the normal to surface induced velocity due to a nonplanar trailing vorticity distribution. Application examples are made using these methods.

Deyoung, J.↗
NASA NTRS1979

Spatial distribution of earth flux density from unrestricted field of view radiation measurements

Results of an analysis to determine if unrestricted field of view measurements can be used to estimate flux densities on scales smaller than the detector's Earth field of view are reported. Simple geometric considerations were employed to reduce simulated irradiances to Earth flux densities. A spatial distribution of emitted flux density is also presented and discussed which was inferred from unrestricted field of view measurements of Nimbus 6.

Weaver, W. L.↗
NASA NTRS1986

Evidence of large-scale structures in the atmosphere of the active K-dwarf component of V471 Tauri

Contemporaneous IUE ultraviolet spectra and visible photoelectric data of the eclipsing binary V471 Tauri (K2V + DA) between 1979 and 1985 was analyzed. The combined data detail the three-dimensional structure of atmospheric loops and their associated starspots on the K dwarf. The distribution of starspot regions on the surface of the K star was inferred from the visible photometry. When spots are located near the limb of the K dwarf prior to and shortly after the total eclipse of the white dwarf, absorption lines such as C II, C III, c IV, and Si IV appear superimposed on the continuum of the white dwarf. These absorption lines are likely caused by cool coronal loops overlying the spots in the atmosphere of the K dwarf. The loops can extend nearly one stellar radius above the surface of the K2V star.

Guinan, E. F.↗
NASA NTRS1989

Plate motions and deformations from geologic and geodetic data

The very long baseline interferometry (VLBI) measurements made in the western U.S. since 1979 provide discrete samples of the temporal and spatial deformation field. The interpretation of the VLBI derived rates of deformation requires an examination of geologic information and more densely sampled ground based geodetic data. Triangulation and trilateration data measured on two regional networks, one in the central Mojave Desert and one in the Coast Ranges east of the San Andreas fault, were processed. At the spatial scales spanned by these local geodetic networks, auxiliary geologic and geophysical data were utilized to examine the relation between measured incremental strain and the accommodation of strain seen in local geologic structures, strain release in earthquakes, and principal stress directions inferred from in situ measurements. VLBI data was also processed from stations distributed across the Pacific-North America plate boundary zone in the western U.S. The VLBI data were used to constrain the integrated rate of deformation across portions of the continental plate boundary in California and to provide a tectonic framework to interpret regional geodetic and geologic studies.

Jordan, Thomas H.↗
NASA NTRS1989

X ray emission from relativistic jets in AGNs and statistical implications

Calculations of the Compton scattering interaction between an ultrarelativistic jet and a thermal radiation field, in an Active Galactic Nuclei (AGN), are presented. This process can be effective in decelerating ultrarelativistic jets that are accelerated by electromagnetic or hydromagnetic forces closer in to the central black hole. A narrow distribution of terminal Lorentz factors gamma sub infinity, consistent with the values inferred in superluminal radio sources, arises naturally in this model. The hard X-ray component detected in the spectra of 3C273 and several BL Lac objects may be due to the inverse Compton radiation produced in the course of the initial deceleration of their relativistic jets. The requirement that the luminosity of the hard X-ray component must exceed the total power in the associated jet is considered.

Melia, Fulvio↗
NASA NTRS1991

An autonomous fault detection, isolation, and recovery system for a 20-kHz electric power distribution test bed

Future space explorations will require long term human presence in space. Space environments that provide working and living quarters for manned missions are becoming increasingly larger and more sophisticated. Monitor and control of the space environment subsystems by expert system software, which emulate human reasoning processes, could maintain the health of the subsystems and help reduce the human workload. The autonomous power expert (APEX) system was developed to emulate a human expert's reasoning processes used to diagnose fault conditions in the domain of space power distribution. APEX is a fault detection, isolation, and recovery (FDIR) system, capable of autonomous monitoring and control of the power distribution system. APEX consists of a knowledge base, a data base, an inference engine, and various support and interface software. APEX provides the user with an easy-to-use interactive interface. When a fault is detected, APEX will inform the user of the detection. The user can direct APEX to isolate the probable cause of the fault. Once a fault has been isolated, the user can ask APEX to justify its fault isolation and to recommend actions to correct the fault. APEX implementation and capabilities are discussed.

Quinn, Todd M.↗
NASA NTRS1992

Long slit spectroscopy of NH2 in comets Halley, Wilson, and Nishikawa-Takamizawa-Tago

Long-slit spectra of comets Halley, Wilson and Nishikawa-Takamizawa-Tago were obtained with the 3.9 meter Anglo-Australian Telescope. Spectra of comets Halley and Wilson were obtained with the IPCS at a spectral resolution of 0.5 A and a spatial resolution of 10(exp 3) km. Spectra of comets Wilson and Nishikawa-Takamizawa-Tago were obtained with a CCD at a spectral resolution of 1.5 A and a spatial resolution of approximately 3 x 10(exp 3) km. Surface brightness profiles for NH2 were extracted from the long-slit spectra of each comet. The observed surface brightness profiles extend along the slit to approximately 6 x 10(exp 4) km from the nucleus in both sunward and tailward directions. By comparing surface distribution calculated from an appropriate coma model with observed surface brightness distributions, the photodissociation timescale of the parent molecule of NH2 can be inferred. The observed NH2 surface brightness profiles in all three comets compares well with a surface brightness profile calculated using the vectorial model, an NH3 photodissociation timescale of 7 x 10(exp 3) seconds, and an NH2 photodissociation timescale of 34,000 seconds.

Rettig, Terrence W.↗
NASA NTRS1992

Observations of comets with the IUE

Comet Shoemaker-Levey was observed on several dates in June and July 1992. Comparison of the relative brightness of a given emission between IUE and the Hubble Space Telescope (HST) Faint Object Spectrograph apertures provides information about the spatial distribution of the emitting species from which the excitation mechanisms can be inferred. The comparison between the HST and IUE spectra was abetted by the fact that comet Shoemaker-Levy did not show any indication of short-term temporal variability. Comet Swift-Tuttle is a moderately bright periodic comet that shows relatively strong temporal variations on a scale of hours and days. IUE observations of this comet were made in November 1992 and the detected variability was reported on IAU circular 5663. Coordinated ground-based observations led to the first detection of the CI(lambda)9850 transition that complements CI(lambda)1931 observed by the IUE short wavelength spectrograph and provides a means of indirectly determining the CO abundance.

Feldman, Paul D.↗
NASA NTRS1994

Soft X-ray and H I surveys of the low N(sub H) region in Ursa Major

A region of almost 300 deg squared in Ursa Major around the direction of the lowest neutral hydrogen column density in the sky has been surveyed in the 1/4 keV X-ray band (approximately 0.12 to 0.284 keV at 10% of the peak response) using the ROSAT position sensitive proportional counter (PSPC) and has been fully mapped in the 21 cm line of neutral hydrogen with an angular resolution of 21' or better. We present maps of these two data sets and an analysis of the spatial correlation between them. Over the entire field, the 1/4 keV band X-ray count rate shows a strong negative correlation with the column density of Galactic neutral hydrogen. We discuss the local, extragalactic, and halo contributions to the observed diffuse X-ray intensity and derive an upper limit to the Galactic X-ray emission originating beyond this H I distribution that is more than a factor of 7 smaller than the inferred flux beyond the Draco nebula, an apparent halo object located approximately 41 degs away. This implies that while there may be significant amounts of hot gas in the Galactic halo, its properties must vary strongly across the sky.

Snowden, S. L.↗
NASA NTRS2000

Development of the Spacecraft Materials Selector Expert System

A specific knowledge base to evaluate the on-orbit performance of selected materials on spacecraft is being developed under contract to the NASA SEE program. An artificial intelligence software package, the Boeing Expert System Tool (BEST), contains an inference engine used to operate knowledge bases constructed to selectively recall and distribute information about materials performance in space applications. This same system is used to make estimates of the environmental exposures expected for a given space flight. The performance capabilities of the Spacecraft Materials Selector (SMS) knowledge base are described in this paper. A case history for a planned flight experiment on ISS is shown as an example of the use of the SMS, and capabilities and limitations of the knowledge base are discussed.

Pippin, H. G.↗