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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Non-Gaussian microwave background fluctuations from nonlinear gravitational effects

Whether the statistics of primordial fluctuations for structure formation are Gaussian or otherwise may be determined if the Cosmic Background Explorer (COBE) Satellite makes a detection of the cosmic microwave-background temperature anisotropy delta T(sub CMB)/T(sub CMB). Non-Gaussian fluctuations may be generated in the chaotic inflationary model if two scalar fields interact nonlinearly with gravity. Theoretical contour maps are calculated for the resulting Sachs-Wolfe temperature fluctuations at large angular scales (greater than 3 degrees). In the long-wavelength approximation, one can confidently determine the nonlinear evolution of quantum noise with gravity during the inflationary epoch because: (1) different spatial points are no longer in causal contact; and (2) quantum gravity corrections are typically small-- it is sufficient to model the system using classical random fields. If the potential for two scalar fields V(phi sub 1, phi sub 2) possesses a sharp feature, then non-Gaussian fluctuations may arise. An explicit model is given where cold spots in delta T(sub CMB)/T(sub CMB) maps are suppressed as compared to the Gaussian case. The fluctuations are essentially scale-invariant.

Salopek, D. S.↗
DOE OSTI2021

Machine learning based algorithms for uncertainty quantification in numerical weather prediction models

Complex numerical weather prediction models incorporate a variety of physical processes, each described by multiple alternative physical schemes with specific parameters. The selection of the physical schemes and the choice of the corresponding physical parameters during model configuration can significantly impact the accuracy of model forecasts. There is no combination of physical schemes that works best for all times, at all locations, and under all conditions. It is therefore of considerable interest to understand the interplay between the choice of physics and the accuracy of the resulting forecasts under different conditions. This paper demonstrates the use of machine learning techniques to study the uncertainty in numerical weather prediction models due to the interaction of multiple physical processes. The first problem addressed herein is the estimation of systematic model errors in output quantities of interest at future times, and the use of this information to improve the model forecasts. The second problem considered is the identification of those specific physical processes that contribute most to the forecast uncertainty in the quantity of interest under specified meteorological conditions. In order to address these questions we employ two machine learning approaches, random forests and artificial neural networks. The discrepancies between model results and observations at past times are used to learn the relationships between the choice of physical processes and the resulting forecast errors. Numerical experiments are carried out with the Weather Research and Forecasting (WRF) model. The output quantity of interest is the model precipitation, a variable that is both extremely important and very challenging to forecast. The physical processes under consideration include various micro-physics schemes, cumulus parameterizations, short wave, and long wave radiation schemes. The experiments demonstrate the strong potential of machine learning approaches to aid the study of model errors.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2002

Causes of Long-Term Drought in the United States Great Plains

The United States Great Plains (USGP) experienced a number of multi-year droughts during the last century, most notably the droughts of the 1930s and 1950s. This study examines the causes of such droughts using ensembles of long term (1930-1999) simulations carried out with the NASA Seasonal-to-Interannual Prediction Project (NSIPP-1) atmospheric general circulation model (AGCM) forced with observed sea surface temperatures (SSTs). The results show that the model produces long-term (multi-year) variations in the USGP precipitation that are similar to those observed. A correlative analysis suggests that the ensemble mean low frequency (time scales longer than about 6 years) rainfall variations in the USGP are linked to a pan-Pacific pattern of SST variability that is the leading empirical orthogonal function (EOF) in the low frequency SST data. The link between the SST and the Great Plains precipitation is confirmed in idealized AGCM simulations, in which the model is forced by the 2 polarities of the pan-Pacific SST pattern. The idealized simulations further show that it is primarily the tropical part of the SST anomalies that influence the USGP. As such, the USGP tend to have above normal precipitation when the tropical Pacific SSTs are above normal, while there is a tendency for drought when the tropical SSTs are cold. The upper tropospheric response to the pan-Pacific SST EOF shows a global-scale pattern with a strong wave response in the Pacific and a substantial zonally-symmetric component in which USGP pluvial (drought) conditions are associated with reduced (enhanced) heights throughout the extra-tropics. The potential predictability of rainfall in the USGP associated with SSTs is rather modest, with on average about 1/3 of the total low frequency rainfall variance forced by SST anomalies. Further idealized experiments with climatological SST, suggest that the remaining low frequency variance in the USGP precipitation is the result of interactions with soil moisture. In particular, simulations with soil moisture feedback show a six-fold increase in the variance in annual USGP precipitation compared with simulations in which the soil feedback is excluded. In addition to increasing variance, the interactions with the soil introduce year-to-year memory in the hydrological cycle that is consistent with a red noise process, in which the low frequencies in the deep soil are the result of integrating a net forcing (precipitation-evaporation-runoff) that is white noise on interannual time scales. As such, the role of low frequency SST variability is to introduce a bias to the net forcing on the soil moisture that drives the random process preferentially to either wet or dry conditions.

Schubert, Siegfried D.↗
NASA NTRS1972

Concepts for a theoretical and experimental study of lifting rotor random loads and vibrations. Phase 6-B: Experiments with progressing/regressing forced rotor flapping modes

A two bladed 16-inch hingeless rotor model was built and tested outside and inside a 24 by 24 inch wind tunnel test section at collective pitch settings up to 5 deg and rotor advance ratios up to .4. The rotor model has a simple eccentric mechanism to provide progressing or regressing cyclic pitch excitation. The flapping responses were compared to analytically determined responses which included flap-bending elasticity but excluded rotor wake effects. Substantial systematic deviations of the measured responses from the computed responses were found, which were interpreted as the effects of interaction of the blades with a rotating asymmetrical wake.

Hohenemser, K. H.↗
DOE OSTI2020

GrAMME: Semisupervised Learning Using Multilayered Graph Attention Models

Modern data analysis pipelines are becoming increasingly complex due to the presence of multiview information sources. While graphs are effective in modeling complex relationships, in many scenarios, a single graph is rarely sufficient to succinctly represent all interactions, and hence, multilayered graphs have become popular. Though this leads to richer representations, extending solutions from the single-graph case is not straightforward. Consequently, there is a strong need for novel solutions to solve classical problems, such as node classification, in the multilayered case. In this article, we consider the problem of semisupervised learning with multilayered graphs. Though deep network embeddings, e.g., DeepWalk, are widely adopted for community discovery, we argue that feature learning with random node attributes, using graph neural networks, can be more effective. To this end, we propose to use attention models for effective feature learning and develop two novel architectures, GrAMME-SG and GrAMME-Fusion, that exploit the interlayer dependences for building multilayered graph embeddings. Using empirical studies on several benchmark data sets, we evaluate the proposed approaches and demonstrate significant performance improvements in comparison with the state-of-the-art network embedding strategies. The results also show that using simple random features is an effective choice, even in cases where explicit node attributes are not available.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A Visual Comparison of Silent Error Propagation

High-performance computing (HPC) systems play a critical role in facilitating scientific discoveries. Their scale and complexity (e.g., the number of computational units and software stack) continue to grow as new systems are expected to process increasingly more data and reduce computing time. However, with more processing elements, the probability that these systems will experience a random bit-flip error that corrupts a program's output also increases, which is often recognized as silent data corruption. Analyzing the resiliency of HPC applications in extreme-scale computing to silent data corruption is crucial but difficult. An HPC application often contains a large number of computation units that need to be tested, and error propagation caused by error corruption is complex and difficult to interpret. Here, to accommodate this challenge, we propose an interactive visualization system that helps HPC researchers understand the resiliency of HPC applications and compare their error propagation. Our system models an application's error propagation to study a program's resiliency by constructing and visualizing its fault tolerance boundary. Coordinating with multiple interactive designs, our system enables domain experts to efficiently explore the complicated spatial and temporal correlation between error propagations. At the end, the system integrated a nonmonotonic error propagation analysis with an adjustable graph propagation visualization to help domain experts examine the details of error propagation and answer such questions as why an error is mitigated or amplified by program execution.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1999

Phase Diagrams of Electric-Fduced Aggregation in Conducting Colloids

Under the application of a sufficiently strong electric field, a suspension may undergo reversible phase transitions from a homogeneous random arrangement of particles into a variety of ordered aggregation patterns. The surprising fact about electric-field driven phase transitions is that the aggregation patterns, that are observed in very diverse systems of colloids, display a number of common structural features and modes of evolution thereby implying that a universal mechanism may exist to account for these phenomena. It is now generally believed that this mechanism emanates from the presence of the long-range anisotropic interactions between colloidal particles due to their polarization in an applied field. But, in spite of numerous applications of the electric-field-driven phenomena in biotechnology, separation, materials engineering, chemical analysis, etc. our understanding of these phenomena is far from complete. Thus, it is the purpose of the proposed research to develop a theory and then test experimentally, under normal- and low-gravity conditions, the accuracy of the theoretical predictions regarding the effect of the synergism of the interparticle electric and hydrodynamic interactions on the phase diagram of a suspension. The main results from our theoretical studies performed to-date enable one to trace how the variations of the electrical properties of the constituent materials influence the topology of the suspension phase diagram and then, by using an appropriate phase diagram, to evaluate how the electric-field-induced transformations will depend on the frequency and the strength of the applied field.

Khusid, B.↗
DOE OSTI2022

Phonon spectrum of $\mathrm{Pr_2Zr_2O_7}$ and $\mathrm{Pr_2Ir_2O_7}$ as evidence of coupling of the lattice with electronic and magnetic degrees of freedom

Magnetic materials with pyrochlore crystal structure form exotic magnetic states due to the high lattice frustration. Here in this work we follow the effects of coupling of the lattice and electronic and magnetic degrees of freedom in two praseodymium-based pyrochlores $\mathrm{Pr_2Zr_2O_7}$ and $\mathrm{Pr_2Ir_2O_7}$. In either of these materials, the presence of magnetic interactions does not lead to magnetically ordered low temperature states; however, their electronic properties are different. A comparison of Raman phonon spectra of $\mathrm{Pr_2Zr_2O_7}$ and $\mathrm{Pr_2Ir_2O_7}$ allows us to identify magnetoelastic coupling in $\mathrm{Pr_2Zr_2O_7}$ that elucidates its magnetic properties at intermediate temperatures and allows us to characterize phonon-electron scattering in the semimetallic $\mathrm{Pr_2Ir_2O_7}$. We also show that the effects of random disorder on the Raman phonon spectra is small.

36 MATERIALS SCIENCE↗
NASA NTRS1997

The Age of the Surface of Venus

Impact craters on Venus appear to be uniformly and randomly scattered over a once, but no longer, geologically active planet. To first approximation, the planet shows a single surface of a single age. Here we use Monte Carlo cratering simulations to estimate the age of the surface of Venus. The simulations are based on the present populations of Earth-approaching asteroids, Jupiter-family, Halley-family, and long period comets; they use standard Schmidt-Housen crater scalings in the gravity regime; and they describe interaction with the atmosphere using a semi-analytic 'pancake' model that is calibrated to detailed numerical simulations of impactors striking Venus. The lunar and terrestrial cratering records are also simulated. Both of these records suffer from poor statistics. The Moon has few young large craters and fewer still whose ages are known, and the record is biased because small craters tend to look old and large craters tend to look young. The craters of the Earth provide the only reliable ages, but these craters are few, eroded, of uncertain diameter, and statistically incomplete. Together the three cratering records can be inverted to constrain the flux of impacting bodies, crater diameters given impact parameters, and the calibration of atmospheric interactions. The surface age of Venus that results is relatively young. Alternatively, we can use our best estimates for these three input parameters to derive a best estimate for the age of the surface of Venus. Our tentative conclusions are that comets are unimportant, that the lunar and terrestrial crater records are both subject to strong biases, that there is no strong evidence for an increasing cratering flux in recent years, and that that the nominal age of the surface of Venus is about 600 Ma, although the uncertainty is about a factor of two. The chief difference between our estimate and earlier, somewhat younger estimates is that we find that the venusian atmosphere is less permeable to impacting bodies than supposed by earlier studies. An older surface increases the likelihood that Venus is dead.

Zahnle, K. J.↗
NASA NTRS2008

Impact of Pilot Delay and Non-Responsiveness on the Safety Performance of Airborne Separation

Assessing the safety effects of prediction errors and uncertainty on automationsupported functions in the Next Generation Air Transportation System concept of operations is of foremost importance, particularly safety critical functions such as separation that involve human decision-making. Both ground-based and airborne, the automation of separation functions must be designed to account for, and mitigate the impact of, information uncertainty and varying human response. This paper describes an experiment that addresses the potential impact of operator delay when interacting with separation support systems. In this study, we evaluated an airborne separation capability operated by a simulated pilot. The experimental runs are part of the Safety Performance of Airborne Separation (SPAS) experiment suite that examines the safety implications of prediction errors and system uncertainties on airborne separation assistance systems. Pilot actions required by the airborne separation automation to resolve traffic conflicts were delayed within a wide range, varying from five to 240 seconds while a percentage of randomly selected pilots were programmed to completely miss the conflict alerts and therefore take no action. Results indicate that the strategicAirborne Separation Assistance System (ASAS) functions exercised in the experiment can sustain pilot response delays of up to 90 seconds and more, depending on the traffic density. However, when pilots or operators fail to respond to conflict alerts the safety effects are substantial, particularly at higher traffic densities.

Consiglio, Maria↗
DOE OSTI2022

Model-Form Epistemic Uncertainty Quantification for Modeling with Differential Equations: Application to Epidemiology

Modeling real-world phenomena to any degree of accuracy is a challenge that the scientific research community has navigated since its foundation. Lack of information and limited computational and observational resources necessitate modeling assumptions which, when invalid, lead to model-form error (MFE). The work reported herein explored a novel method to represent model-form uncertainty (MFU) that combines Bayesian statistics with the emerging field of universal differential equations (UDEs). The fundamental principle behind UDEs is simple: use known equational forms that govern a dynamical system when you have them; then incorporate data-driven approaches – in this case neural networks (NNs) – embedded within the governing equations to learn the interacting terms that were underrepresented. Utilizing epidemiology as our motivating exemplar, this report will highlight the challenges of modeling novel infectious diseases while introducing ways to incorporate NN approximations to MFE. Prior to embarking on a Bayesian calibration, we first explored methods to augment the standard (non-Bayesian) UDE training procedure to account for uncertainty and increase robustness of training. In addition, it is often the case that uncertainty in observations is significant; this may be due to randomness or lack of precision in the measurement process. This uncertainty typically manifests as “noisy” observations which deviate from a true underlying signal. To account for such variability, the NN approximation to MFE is endowed with a probabilistic representation and is updated using available observational data in a Bayesian framework. By representing the MFU explicitly and deploying an embedded, data-driven model, this approach enables an agile, expressive, and interpretable method for representing MFU. In this report we will provide evidence that Bayesian UDEs show promise as a novel framework for any science-based, data-driven MFU representation; while emphasizing that significant advances must be made in the calibration of Bayesian NNs to ensure a robust calibration procedure.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Demonstrate Improved Ag Diffusion and Describe the Basis for Pd Penetration Modeling in SiC

In past work, an effective diffusivity coefficient was determined for Ag transport through the silicon carbide layer of a tristructural isotropic fuel particle. The effective diffusivity coefficient accounts for the microstructure of the silicon carbide and includes both bulk diffusion and grain boundary diffusion of Ag. In this report, the model has been improved by accounting for the enhanced concentration of vacancies in the bulk due to irradiation, which substantially influence bulk diffusivity at low temperatures. To improve the BISON model and make it fission rate dependent, effective diffusivity calculations have been performed that incorporate the radiation modified bulk diffusivity. The microstructure and irradiation-dependent effective diffusivity has also been implemented into BISON, and its predictions for Ag release from tristructural isotropic fuel have been successfully compared to AGR-1 post irradiation measurements. Moreover, a new feature has been developed in the Multiphysics Object-Oriented Simulation Environment (MOOSE) to account for different grain boundary types. The Ag diffusivity in 5 (210)/[001] grain boundaries has been computed and was found to be greater than in random high-angle grain boundaries. The presence of the fission product Pd can also have an important effect on the properties of the silicon carbide layer in tristructural isotropic particles. The penetration of Pd into the silicon carbide layer causes a corrosion reaction that can lead to the failure of the silicon carbide layer; however, this corrosion reaction is not well understood. To enable an improved understanding of the mechanism, ab-initio molecular dynamics simulations of Pd interaction with bulk silicon carbide have been performed. The improved understanding of the reaction will form a basis for future improvements to the BISON’s Pd penetration failure model

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1985

Discrete Random Media Techniques for Microwave Modeling of Vegetated Terrain

Microwave remote sensing of vegetated terrain has been studied. Vegetation is modeled so that backscattered radar signals can be used to infer parameters which characterize the vegetation and underlying ground. The vegetation is modeled by discrete lossy dielectric scatterers with prescribed characteristics. The goal of the modeling effort is to remotely sense vegetation type (classification), growth stage, and plant/ground moisture. This information can then be used as input into agricultural, forestry and global circulation models. The microwave frequency spectrum, particularly L and C bands, are especially appropriate for this purpose since the wavelength is comparable to plant leaf and stem size. The resulting resonant interaction leads to backscattered data highly depend on plant shape and orientation. In addition, the transparent nature of the atmosphere in this frequency regime allows for algorithm development which requires no atmospheric correction.

Lang, R. H.↗
DOE OSTI2026

Native Architecture of Wheat Straw Cell Walls: A Unified Model from X-ray Scattering and Solid-State NMR

Plant secondary cell walls constitute the dominant reservoir of renewable biomass, comprising tightly packed cellulose, hemicellulose, and lignin at the nanoscale. Recent advances in solid-state NMR spectroscopy and the availability of small-angle X-ray scattering for biomass characterization have led to an accumulation of experimental data on cell wall organization, yet no explicit structure model has simultaneously satisfied both Xray and NMR observations. Using wheat straw as a model system, we propose a structural framework consistent with current knowledge of cellulose biosynthesis, X-ray scattering data, and one- and two-dimensional 13 C solid-state NMR spectra. In this model, 18-chain elementary fibrils align in parallel and populate the cross-section at random. Arabinose-substituted xylan shows no conformational dependence for cellulose-binding in wheat, and only a minor fraction of 2-fold xylan appears in close proximity to cellulose, unlike in Arabidopsis, where xylan is more tightly attached to the cellulose surface. While NMR data cannot unambiguously resolve the internal arrangement of the 18 glucan chains, X-ray scattering profiles uniquely constrain the fibril size and exclude the possibility of tight bundling in the intact walls. The specific interaction between the matrix polymers and the cellulose elementary fibrils must be reconsidered in light of the small interfibril spaces, which bring the matrix components into spatial proximity with cellulose even in the absence of attractive interactions. These findings provide fundamental molecular-level insight into cellulose fibril architecture and matrix−polymer interactions, resolving longstanding discrepancies between spectroscopic and scattering data and advancing our understanding of biopolymer assembly into structurally and functionally versatile lignocellulosic biomaterials.

Carbohydrates↗
DOE OSTI2024

Hardware Fuzzing with An Emulator

Bugs in digital logic have led to some significant security vulnerabilities. Hardware bugs are particularly troublesome since they cannot be easily patched. Additionally, if the bug is in the root of trust, all trust built upon it can be vulnerable. Traditional testing either require a deep knowledge of the system, creative attack vectors and lots of human interaction. This is not scalable as there are very few engineers that can wear the hat of a designer, a verification engineer, and a cybersecurity expert. Hardware fuzzing is a relatively new research area in dynamic hardware testing. It has proven to be an effective method for discovering bugs, unexpected behaviors, and security vulnerabilities in software. While hardware fuzzing is new to the hardware domain, it has a strong track record in software testing. Fuzzing is a testing technique that randomly mutates the input data to uncover bugs or vulnerabilities in the design. It is especially good at finding corner cases that test engineers can not envision. Another advantage over other dynamic testing techniques is that, if done well, deep knowledge of the design is not required. Additionally, fuzzing scales well. If the system is set up correctly, it can run unsupervised for weeks if necessary. In this work, we propose using hardware fuzzing to improve the input vector generation for an information flow tracking tool. To get reasonable throughput of test vectors, an emulator is targeted as the execution platform. Efficient emulator execution has some specific requirements.

42 ENGINEERING↗
NASA NTRS1990

Analysis of dual control vibration testing

Analysis of dual control vibration testing is conducted using a two-degree-of-freedom system to represent the interaction between a vibration mode of a test item and a mode of a mounting structure. The results indicate that exact dual control based on specification of the source free acceleration and blocked force is strictly valid only if phase is taken into account. However, extremal dual control without phase alleviates overtesting without risk of undertesting, when the limit acceleration and force specifications are chosen to envelope the coupled system results. Several approaches to deriving appropriate force specifications are explored. Random vibration parametric results from the literature are used to estimate the limit force between coupled oscillators with different source and load masses.

Scharton, Terry D.↗
DOE OSTI2018

Atomic-scale tailoring of spin susceptibility via non-magnetic spin-orbit impurities

Abstract Following the discovery of topological insulators, there has been a renewed interest in superconducting systems that have strong spin-orbit (SO) coupling. Here we address the fundamental question of how the spin properties of a otherwise spin-singlet superconducting ground state evolve with increasing SO impurity density. We have mapped out the Zeeman critical field phase diagram of superconducting Al films that were deposited over random Pb cluster arrays of varying density. These phase diagrams give a direct measure of the Fermi liquid spin renormalization, as well as the spin orbit scattering rate. We find that the spin renormalization is a linear function of the average Pb cluster -to- cluster separation and that this dependency can be used to tune the spin susceptibility of the Al over a surprisingly wide range from 0.8χ 0 to 4.0χ 0 , where χ 0 is the non-interacting Pauli susceptibility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Calculation of the detonation state of HN 3 with quantum accuracy

HN 3 is a unique liquid energetic material that exhibits ultrafast detonation chemistry and a transition to metallic states during detonation. We combine the Chebyshev interaction model for efficient simulation (ChIMES) many-body reactive force field and the extended-Lagrangian multiscale shock technique molecular dynamics method to calculate the detonation properties of HN 3 with the accuracy of Kohn–Sham density-functional theory. ChIMES is based on a Chebyshev polynomial expansion and can accurately reproduce density-functional theory molecular dynamics (DFT-MD) simulations for a wide range of unreactive and decomposition conditions of liquid HN 3 . We show that addition of random displacement configurations and the energies of gas-phase equilibrium products in the training set allows ChIMES to efficiently explore the complex potential energy surface. Schemes for selecting force field parameters and the inclusion of stress tensor and energy data in the training set are examined. Structural and dynamical properties and chemistry predictions for the resulting models are benchmarked against DFT-MD. We demonstrate that the inclusion of explicit four-body energy terms is necessary to capture the potential energy surface across a wide range of conditions. Our results generally retain the accuracy of DFT-MD while yielding a high degree of computational efficiency, allowing simulations to approach orders of magnitude larger time and spatial scales. The techniques and recipes for MD model creation we present allow for direct simulation of nanosecond shock compression experiments and calculation of the detonation properties of materials with the accuracy of Kohn–Sham density-functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗