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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 1,621 records · Page 90

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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↗

NASA NTRS2021

Reducing Risk of InSight Surface Operations Through High-Fidelity Command Sequence Modeling

Simulating spacecraft behavior is crucial for the success of deep space missions, and failure to do so may result in damages to or the loss of the spacecraft. Many previous deep space missions have made use of ground-simulation of sequenced commanding, at speeds far greater than real time, to predict spacecraft state over time through the execution of onboard sequences. This type of modeling can be done at any fidelity, and most missions have opted to decrease fidelity to reduce cost and complexity. However, NASA’s Interior Exploration using Seismic Investigations, Geodesy and Heat Transport (InSight) mission expanded the scope of ground modeling considerably, which has led to numerous benefits over past implementations. This paper will discuss the process and products that InSight created, as well as the lessons learned from successfully operating the spacecraft on Mars. InSight is the first JPL mission to expand the scope of ground modeling to include the uplink of files from Earth to the spacecraft, rather than making the simplification that any command sequences already exist onboard the spacecraft. The advantages of modeling the uplink of files are numerous. First, it allows for accurate modeling of the onboard filesystem of the spacecraft at all points in time, meaning that all file loads and deletions throughout the mission are modeled at the exact moment they are predicted to actually happen. Second, operators can be more certain that dependencies between sequences are not broken due to the dynamic nature of the filesystem as files are deleted, copied, and uplinked. Lastly, spacecraft filesystem tracking allows for management of sequences prior to uplink, limiting the uplink to only new sequences. The onboard filesystem model became crucial to mission success, emphasizing the importance of investing in accurate models before the need for them arises. During daily tactical operations of a spacecraft on Mars, a model is only useful if the results can be interpreted quickly. In this fast-paced environment, it is essential that command products are modeled and reviewed, errors are found and diagnosed, and new command products are redelivered, remodeled, re-reviewed in a timely manner. It is impossible to review the entire model and therefore the results of the model must be condensed and presented in a fashion that is intuitive, easy-to-navigate, complete, and trustworthy. InSight developed a number of innovative sequence review products that are designed to provide operators with the information required to quickly assess the validity of command products and diagnose potential issues. Together, these products provide a complete, yet succinct picture of the command and sequence model to the operators and facilitate a quick assessment of all sequence command products. This paper will cover planning and sequencing innovations made during InSight surface operations, and will compare the tools, processes, and results to those on other missions. Additionally, the paper will cover the flexible, yet robust nature of the planning and sequencing system architecture and how that flexibility allowed for rapid development and response to the unpredictability of Mars.

Cloutier, Kyle↗

NASA NTRS1986

Constraints on neutron star models of gamma-burst sources from the Einstein Observatory

Six Einstein observations of five gamma-ray burst sources are presented and discussed. With one possible exception, no point source was detected in any of the observations. The data are interpreted in the framework of neutron star models for gamma bursters. Upper limits are derived for the surface temperatures of the neutron stars assumed to be responsible for the bursts. It is shown that the lack of soft X-ray emission may impose stringent constraints on accretion rates onto neutron stars.

Pizzichini, G.↗

NASA NTRS1990

A simple inertial model for Neptune's zonal circulation

Voyager imaging observations of zonal cloud-tracked winds on Neptune revealed a strongly subrotational equatorial jet with a speed approaching 500 m/s and generally decreasing retrograde motion toward the poles. The wind data are interpreted with a speculative but revealingly simple model based on steady gradient flow balance and an assumed global homogenization of potential vorticity for shallow layer motion. The prescribed model flow profile relates the equatorial velocity to the mid-latitude shear, in reasonable agreement with the available data, and implies a global horizontal deformation scale L(D) of about 3000 km.

Allison, Michael↗

DOE OSTI2023

A database of hourly wind speed and modeled generation for US wind plants based on three meteorological models

Abstract In 2022, wind generation accounted for ~10% of total electricity generation in the United States. As wind energy accounts for a greater portion of total energy, understanding geographic and temporal variation in wind generation is key to many planning, operational, and research questions. However, in-situ observations of wind speed are expensive to make and rarely shared publicly. Meteorological models are commonly used to estimate wind speeds, but vary in quality and are often challenging to access and interpret. The Plant-Level US multi-model WIND and generation (PLUSWIND) data repository helps to address these challenges. PLUSWIND provides wind speeds and estimated generation on an hourly basis at almost all wind plants across the contiguous United States from 2018–2021. The repository contains wind speeds and generation based on three different meteorological models: ERA5, MERRA2, and HRRR. Data are publicly accessible in simple csv files. Modeled generation is compared to regional and plant records, which highlights model biases and errors and how they differ by model, across regions, and across time frames.

17 WIND ENERGY↗

DOE OSTI2020

Conceptual Model Update of Mercury Sources and Flux at Y-12 and Upper East Fork Poplar Creek, Oak Ridge,Tennessee

The interactions between the key processes that control the fate and transport of mercury (Hg) in the sediments, groundwater, and stream water within the Y-12 National Security Complex (Y-12) in Oak Ridge, Tennessee are complex, and many aspects are not well understood. In contaminated environments such as Y-12, conceptual models are frequently developed to aid in visualizing and understanding the dynamic nature of the hydrologic, geochemical, and physical environment. These conceptual models integrate data in an internally consistent manner to understand processes that control the fate and transport of contaminants. Over the past few decades of environmental investigation at Y-12, a number of conceptual models have been developed to identify and define various technical processes at various scales. The main purpose of the activities described in this report is to update the 2011 conceptual model for Upper East Fork Poplar Creek using the most recent Hg concentration and flux data and informed scientific interpretation. Emphasis was placed on improving the previous model by implementing a more detailed spatial and temporal approach to visualize transport pathways in the watershed and trends in flux and concentration over time, and to compare baseflow and stormflow system dynamics. Detailed descriptions of historical and current Hg sources and transport pathways are also provided for the east and west ends of the facility. This conceptual model will allow the US Department of Energy to evaluate past and present remedial activities and provide a strong technical basis for prioritizing and optimizing remedial responses in a cost-effective and efficient manner. Twenty years ago, Hg flux from Outfall (OF) 200 at the headwaters of East Fork Poplar Creek represented approximately 20% of the overall flux leaving Y-12. By the time of the 2011 conceptual model report, that percentage had increased to 70%–80%. Flux estimates compiled for this report using data from 2009 to 2018 show that OF200 accounted for roughly 60% of the flux leaving Y-12. The relative role of the four storm drain conduits to OF200 appeared similar to 2011, with OF163 being the greatest contributor to downstream flux. An increase in Hg concentrations and flux occurred throughout and downstream of west end storm drains in 2011 in response to a storm drain cleanout. Leading up to the 2011 storm drain cleanout, annual baseflow flux was higher at OF200A6 than at Station 17. From 2011 to 2018, the trend reversed with concentrations and flux being higher at Station 17 than at OF200A6. A spike in concentrations occurred in July 2018, potentially due to a one-time influx of Hg that occurred during COLEX decontamination and decommissioning activities at Y-12. This report includes recommendations for improving our conceptual understanding of Hg sources, transport pathways, and flux at Y-12. Important recommendations include further evaluation of transport pathways, concurrent measurement of Hg concentration and flux under baseflow and stormflow conditions at multiple sites, and research to understand the connections among periphyton and methylmercury concentration, bioavailability, and bioaccumulation. Ongoing facility decontamination and decommissioning efforts, site characterization, remedial actions, and research are facilitating the collection of new Hg data at Y-12. The conceptual model update provided herein takes advantage of the extensive recent Hg sampling to provide an updated assessment of Hg mass balance and support a refined understanding of Hg behavior at or near Y-12. This assessment should assist in future environmental management decisions and in mitigating the impacts of Hg on the surrounding environment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1978

Parametric modeling of low-frequency water-vapor-induced tropospheric path length fluctuations

Detailed wet tropospheric fluctuation information is presented in support of proposals to search for gravitational waves in ultra-precise Doppler data. The similarities between the solar wind and tropospheric effects on apparent signal path length are used to hypothesize a parametric model for low-frequency wet tropospheric path length fluctuation. Experimental observations of wet tropospheric signal delay fluctuations are interpreted as confirmation of this parametric form. The model is used to suggest the appropriate conditions for collection of experimental tropospheric fluctuation data.

Berman, A. L.↗

NASA NTRS1986

Math modelling as a complement to the scientific inquiry of physiological adaptation to space flight: Fluid, endocrine and circulatory regulation

The contribution of mathematical modeling and computer simulation to the understanding of problems arising during weightless space flight is reviewed. Examples from fluid, endocrine, and circulatory regulation are provided to illustrate the utility of modeling as an adjunct to the process of scientific inquiry, especially in the development and theoretical testing of hypotheses. The models were used to examine the acute and chronic phases of space flight. Paradoxial results appear when data obtained during chronic adaptation is interpreted using theories which pertain to acute adjustments. The modeling process provides a means of developing a theoretical basis for interpreting the chronic adaptive phase of flight.

Leonard, J. I.↗

NASA NTRS2004

Kinetic Roughening and Energetics of Tetragonal Lysozyme Crystal Growth: A Preliminary Atomic Force Microscopy Investigation

We examined particulars of crystal growth from measurements obtained at both microscopic and molecular levels. The crystal growth measurements performed at the microscopic level are well characterized by a model that balances the flux of macromolecules towards the crystal surface with the flux of the crystal surface. Numerical evaluation of model with measurements of crystal growth, in time, provided accurate estimates for the average growth velocities. Growth velocities thus obtained were also interpreted using well-established phenomenological theories. Moreover, we find that microscopic measurements of growth velocity measurements obtained as a function of temperature best characterizes changes in crystal growth modes, when present. We also examined the possibility of detecting a change in crystal growth modes at the molecular level using atomic force microscopy, AFM. From preliminary AFM measurements performed at various supersaturations, we find that magnitude of surface height fluctuations, h(x), increases with supersaturation. Further examination of surface height fluctuations using methods established for fluctuation spectroscopy also enabled the discovery of the existence of a characteristic length, c, which may possibly determine the mode of crystal growth. Although the results are preliminary, we establish the non- critical divergence of 5 and the root-mean-square (rms) magnitude of height-height fluctuations as the kinetic roughening transition temperatures are approached. Moreover, we also examine approximate models for interpreting the non-critical behavior of both 6 and rms magnitude of height-height fluctuations, as the solution supersaturation is increased towards the kinetic roughening supersaturation.

Gorti, Sridhar↗

NASA NTRS1970

A thermal model for analysis of infrared images

A mathematical model derived from the equation of heat conduction was developed to assist in interpreting thermal infrared images acquired from aircraft and spacecraft. The model assumes steady state boundary conditions. It contains parameters of rock and soil properties, atmospheric effects, site location, and season. The results predicted provide an explanation for the thermal differences among granite, limestone, and dolomite recorded in the December 1968 daytime and predawn flights over the Mill Creek, Oklahoma test site, during which representative thermal inertia and albedo values were used. A second test of the model made use of data acquired during the June 1970 predawn overflight of Mill Creek. A simple model of transient heating of the ground was constructed as an extension of the overall model, in order to examine the effects of atmospheric perturbations. The results obtained are consistent with those of ground observations made at the time of the overflight.

Watson, K.↗

NASA NTRS2003

Properties of Backscattered Ultraviolet Reflectances in Cloudy Atmosphere

We use a Plane-Parallel Cloud (PPC) model to illustrate how Mie scattering from cloud particles interacts with Rayleigh scattering in the atmosphere and produces a complex wavelength dependence in the top-of-the-atmosphere (TOA) reflectances measured by satellite instruments that operate in the ultraviolet (UV) part of the spectrum. Comparisons of the PPC model-derived spectral dependence of reflectances with the Total Ozone Mapping Spectrometer (TOMS) measurements show surprisingly good agreement over a wide range of observational conditions. The PPC model results also are compared with the results of two other cloud models: Lambert Equivalent Reflectivity (LER) and Modified Lambert Equivalent Reflectivity (MLER) that have been used to analyze satellite data in the UV. These models assume that clouds are opaque Lambertian reflectors rather than Mie scattering particles. Although one of these models (MLER) agrees reasonably well with the data, the results from this model appear somewhat unphysical and may not be suitable for interpreting satellite data if one desires high accuracy. We also use the PPC model to illustrate how clouds can perturb tropospheric O3 absorption in complex ways that cannot be explained by models that treat them as reflecting surfaces rather than as volume scatterers.

Ahmad, Z.↗

DOE OSTI2020

Scaling Laws of Exciton Recombination Kinetics in Low Dimensional Halide Perovskite Nanostructures

Carrier recombination is a crucial process governing the optical properties of a semiconductor. Although various theoretical approaches have been utilized to describe carrier behaviors, a quantitative understanding of the impact of defects and interfaces in low dimensional semiconductor systems is still elusive. Here, we develop a model system consisting of chemically tunable, highly luminescent halide perovskite nanocrystals to illustrate the role of carrier diffusion and material dimensionality on the carrier recombination kinetics and luminescence efficiency. Our advanced synthetic methods provide a well-controlled colloidal system consisting of nanocrystals with different aspect ratios, halide compositions, and surface conditions. Using this system, we reveal the scaling laws of photoluminescence quantum yield and radiative lifetime with respect to the aspect ratio of nanocrystals. The scaling laws derived herein are not only a phenomenological observation but proved a powerful tool disentangling the carrier dynamics of microscopic systems in a quantitative and interpretable manner. The investigation of our model system and theoretical formulation bring to light the dimensionality, as a hidden constraint on carrier dynamics, and identify the diffusion length as an important parameter that distinguishes nanoscale and macroscale carrier behaviors. Furthermore, the conceptual distinction in carrier dynamics in different dimensionality regimes informs new design rules for optical devices where complex microstructures are involved.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Computational Approaches to Vestibular Research

The Biocomputation Center at NASA Ames Research Center is dedicated to a union between computational, experimental and theoretical approaches to the study of neuroscience and of life sciences in general. The current emphasis is on computer reconstruction and visualization of vestibular macular architecture in three-dimensions (3-D), and on mathematical modeling and computer simulation of neural activity in the functioning system. Our methods are being used to interpret the influence of spaceflight on mammalian vestibular maculas in a model system, that of the adult Sprague-Dawley rat. More than twenty 3-D reconstructions of type I and type II hair cells and their afferents have been completed by digitization of contours traced from serial sections photographed in a transmission electron microscope. This labor-intensive method has now been replace d by a semiautomated method developed in the Biocomputation Center in which conventional photography is eliminated. All viewing, storage and manipulation of original data is done using Silicon Graphics workstations. Recent improvements to the software include a new mesh generation method for connecting contours. This method will permit the investigator to describe any surface, regardless of complexity, including highly branched structures such as are routinely found in neurons. This same mesh can be used for 3-D, finite volume simulation of synapse activation and voltage spread on neuronal surfaces visualized via the reconstruction process. These simulations help the investigator interpret the relationship between neuroarchitecture and physiology, and are of assistance in determining which experiments will best test theoretical interpretations. Data are also used to develop abstract, 3-D models that dynamically display neuronal activity ongoing in the system. Finally, the same data can be used to visualize the neural tissue in a virtual environment. Our exhibit will depict capabilities of our computational approaches and some of our findings from their application. For example, our research has demonstrated that maculas of adult mammals retain the property of synaptic plasticity. Ribbon synapses increase numerically and undergo changes in type and distribution (p<0.0001) in type II hair cells after exposure to microgravity for as few as nine days. The finding of macular synaptic plasticity is pertinent to the clinic, and may help explain some. balance disorders in humans. The software used in our investigations will be demonstrated for those interested in applying it in their own research.

Ross, Muriel D.↗

NASA NTRS1977

Effects of jet decay rate on jet induced loads on a flat plate

Experimental modelling of the interaction between a jet and an aircraft wing or fuselage in VTOL aircraft was undertaken using a cold jet exiting perpendicular to a flat plate in a uniform cross-flow. Effects of jet decay rate and jet-to-cross-flow velocity ratio, R, on the induced load distribution were investigated. Jet decay rate was increased by using cylindrical centerbodies submerged in the jet nozzle, which caused nonuniform initial jet velocity profiles. Quicker jet decay rate, corresponding to the presence of a centerbody, resulted in as much as 50% reduction in the induced pressure loads on the plate. This has implications in interpretation of results from earlier VTOL model studies of jet induced loads, where the jets have often had relatively slow decay rates due to uniform initial velocity profiles

Kuhlman, J. M.↗

NASA NTRS1973

Interpretation of the results of statistical measurements

For random processes, the calculated probability characteristic, and the measured statistical estimate are used in a quality functional, which defines the difference between the two functions. Based on the assumption that the statistical measurement procedure is organized so that the parameters for a selected model are optimized, it is shown that the interpretation of experimental research is a search for a basic probability model.

Olshevskiy, V. V.↗

DOE OSTI2020

Tensor factorization for elucidating mechanisms of piezoresponse relaxation via dynamic Piezoresponse Force Spectroscopy

Spatially resolved time and voltage-dependent polarization dynamics in PbTiO 3 thin films is explored using dynamic piezoresponse force microscopy (D-PFM) in conjunction with interferometric displacement sensing. This approach gives rise to 4D data sets containing information on bias-dependent relaxation dynamics at each spatial location without long-range electrostatic artifacts. To interpret these data sets in the absence of defined physical models, we employ a non-negative tensor factorization method which clearly presents the data as a product of simple behaviors allowing for direct physics interpretation. Correspondingly, we perform phase-field modeling finding the existence of ‘hard’ and ‘soft’ domain wall edges. This approach can be extended to other multidimensional spectroscopies for which even exploratory data analysis leads to unsatisfactory results due to many components in the decomposition.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Electron-beam energy reconstruction for neutrino oscillation measurements

Neutrinos exist in one of three types or ‘flavours’—electron, muon and tau neutrinos—and oscillate from one flavour to another when propagating through space. This phenomena is one of the few that cannot be described using the standard model of particle physics (reviewed in ref. 1), and so its experimental study can provide new insight into the nature of our Universe (reviewed in ref. 2). Neutrinos oscillate as a function of their propagation distance (L) divided by their energy (E). Therefore, experiments extract oscillation parameters by measuring their energy distribution at different locations. As accelerator-based oscillation experiments cannot directly measure E, the interpretation of these experiments relies heavily on phenomenological models of neutrino–nucleus interactions to infer E. Here we exploit the similarity of electron–nucleus and neutrino–nucleus interactions, and use electron scattering data with known beam energies to test energy reconstruction methods and interaction models. We find that even in simple interactions where no pions are detected, only a small fraction of events reconstruct to the correct incident energy. More importantly, widely used interaction models reproduce the reconstructed energy distribution only qualitatively and the quality of the reproduction varies strongly with beam energy. This shows both the need and the pathway to improve current models to meet the requirements of next-generation, high-precision experiments such as Hyper-Kamiokande (Japan) and DUNE (USA).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Search for an Anomalous Production of Charged-Current 𝜈 𝑒 Interactions without Visible Pions across Multiple Kinematic Observables in MicroBooNE

This Letter presents an investigation of low-energy electron-neutrino interactions in the Fermilab Booster Neutrino Beam by the MicroBooNE experiment, motivated by the excess of electron-neutrino-like events observed by the MiniBooNE experiment. This is the first measurement to use data from all five years of operation of the MicroBooNE experiment, corresponding to an exposure of 1.11 × 10 21 protons on target, a 70% increase on past results. Two samples of electron neutrino interactions without visible pions are used, one with visible protons and one without any visible protons. The MicroBooNE data show reasonable agreement with the nominal prediction, with 𝑝 values ≥26.7% when the two 𝜈 𝑒 samples are combined, though the prediction exceeds the data in limited regions of phase space. The data are further compared to two empirical models that modify the predicted rate of electron-neutrino interactions in different variables in the simulation to match the unfolded MiniBooNE low energy excess. In the first model, this unfolding is performed as a function of electron neutrino energy, while the second model aims to match the observed shower energy and angle distributions of the MiniBooNE excess. This measurement excludes an electronlike interpretation of the MiniBooNE excess based on these models at >99% CLs in all kinematic variables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗