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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

The Application of Differential Scanning Calorimetry to Investigate Precipitation Behavior in Nickel-Base Superalloys Under Continuous Cooling and Heating Conditions

In this study, a suite of experimental tools and fast-acting, numerical-simulation techniques was used to quantify the precipitation behavior of three nickel-base superalloys: IN-100, LSHR, and 718. Experimental methods comprised differential scanning calorimetry (DSC) to establish the specific heat as a function of temperature and selected direct-resistance heating trials (using a Gleeble ® machine) to obtain samples for microstructural analysis. For the DSC experiments, each alloy was cooled at a prescribed constant rate (between 5 and 20 K/min) after an initial soak/equilibration in the high-temperature, single-phase (supersolvus) temperature regime. On-heating DSC trials beginning at ambient temperature were also performed on alloy 718 in three different starting conditions: super- δ -solvus solution treated and water quenched (denoted as ST), solution treated and aged (STA), and solution treated and overaged (STOA). DSC results, revealing the thermal signatures associated with the kinetics of precipitation of γ ' (IN-100, LSHR) or γ ' and γ " (718), were interpreted using a previously-developed fast-acting routine that treats concurrent nucleation, growth, coarsening, and dissolution. For these simulations, special attention was paid to various thermo-kinetic input parameters including equilibrium solvus-approach curves, bulk free energies of transformation, matrix-precipitate interface energies, and effective diffusivities. For the γ - γ ' superalloys (IN-100 and LSHR), estimates of precipitate volume fraction as a function of temperature from the specific-heat data revealed semi-quantitative agreement with simulation predictions. For the γ - γ '- γ " superalloy (718), simulation predictions of precipitate volume fractions were converted to specific heat as a function of temperature and showed semi-quantitative agreement with the direct measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Solving numerically nonlinear systems of balance laws by multivariate sigmoidal functions approximation

A numerical method for solving systems of nonlinear one-dimensional balance laws, based on multivariate sigmoidal functions approximation, is developed. Constructive approximation theorems are first established in both, uniform and L{sup p} norms. A priori as well as a posteriori error estimates are derived for the numerical solutions, when various kinds of sigmoidal functions, such as unit step, logistic and Gompertz functions, are chosen. The residual of the numerical method is also estimated. Numerical examples are given to test the performance of the algorithm, a comparison with the Godunov method is made concerning accuracy and computational cost. Finally, the numerical stability of the method is analyzed.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1983

The spatial correlation function of rich clusters of galaxies

A series of objective statistical estimators is applied to directly study the three-dimensional distribution of rich clusters, using a recently completed redshift sample of 104 Abell clusters out to distance class four and galactic latitude of 30 deg or more. The sample and the relevant positional and redshift selection effects are discussed, and the two-point angular correlation function and nearest-neighbor distribution of clusters in the sample are determined, as well as in the larger D = 5+6 sample and in several subsamples of different richness classes and latitude zones. The redshift correlation function of clusters for various angular separations on the sky is examined as a test for the reality of the observed angular correlations. The two-point spatial correlation function of clusters in the sample is determined, and the consistency among the three observed correlation functions is tested. A model that describes all the observed correlations is presented.

Bahcall, N. A.↗
DOE OSTI2025

Optimized Auxiliary Functions for Robust Mitigation of Finite-Size Errors in Periodic Hybrid Density Functional Theory

When calculating properties of periodic systems at the thermodynamic limit (TDL), the dominant source of finite size error (FSE) arises from the long-range Coulomb interaction, and can manifest as a slowly converging quadrature error when approximating an integral in the reciprocal space by a finite sum. The singularity subtraction (SS) method offers a systematic approach for reducing this quadrature error and thus the FSE. Here, in this work, we first investigate the performance of the SS method in the simplest setting, aiming at reducing the FSE in exact exchange calculations by subtracting the Coulomb contribution with a single, adjustable Gaussian auxiliary function. We demonstrate that a simple fitting method can robustly estimate the optimal Gaussian width and leads to rapid convergence toward the TDL. Furthermore, we suggest new forms of the auxiliary function, whose optimal parameters could also be determined through least-squares fitting. For a range of semiconductors and insulators, the proposed auxiliary functions achieve robust, millihartree-level accuracy in hybrid density functional theory calculations, including cases with sparse k-meshes and large basis sets.

Quiton, Stephen Jon [University of California, Ber↗
NASA NTRS2002

Fine Sun Sensor Field of View Calibration

The fine Sun sensor (FSS) used on many spacecraft consists of two independent single-axis sensors, nominally mounted perpendicularly, that detect Sun angle across a typical field of view of +/- 32 degrees. The nonlinear function that maps the measured counts into an observed angle is called the transfer function. The FSS transfer function provided by the manufacturer consists of nine parameters for each of the two sensitive axes. An improved transfer function has been previously reported that achieves a significant accuracy improvement across the entire field of view. This new function expands the parameter set to 12 coefficients per axis and includes cross terms combining counts from both axes. To make best use of the FSS for spacecraft attitude determination, it must be calibrated after launch. We are interested in simplifying the postlaunch calibration procedure for estimating improvements to the 24 parameters in the transfer function. This paper discusses how to recombine the terms of the transfer function to reduce their redundancy without decreasing its accuracy and then presents an attitude dependent procedure for estimating the parameters. The end result is a calibration algorithm that is easier to use and does not sacrifice accuracy. Results of calibration using on-orbit data are presented.

Sedlak, Joseph E.↗
NASA NTRS2005

Surveillance system and method having parameter estimation and operating mode partitioning

A system and method for monitoring an apparatus or process asset including creating a process model comprised of a plurality of process submodels each correlative to at least one training data subset partitioned from an unpartitioned training data set and each having an operating mode associated thereto; acquiring a set of observed signal data values from the asset; determining an operating mode of the asset for the set of observed signal data values; selecting a process submodel from the process model as a function of the determined operating mode of the asset; calculating a set of estimated signal data values from the selected process submodel for the determined operating mode; and determining asset status as a function of the calculated set of estimated signal data values for providing asset surveillance and/or control.

Bickford, Randall L.↗
DOE OSTI2017

Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO 2 Reduction

Bimetallic catalysts are promising for the most difficult thermal and electrochemical reactions, but modeling the many diverse active sites on polycrystalline samples is an open challenge. Here, we present a general framework for addressing this complexity in a systematic and predictive fashion. Active sites for every stable low-index facet of a bimetallic crystal are enumerated and cataloged, yielding hundreds of possible active sites. The activity of these sites is explored in parallel using a neural-network-based surrogate model to share information between the many density functional theory (DFT) relaxations, resulting in activity estimates with an order of magnitude fewer explicit DFT calculations. Sites with interesting activity were found and provide targets for follow-up calculations. This process was applied to the electrochemical reduction of CO 2 on nickel gallium bimetallics and indicated that most facets had similar activity to Ni surfaces, but a few exposed Ni sites with a very favorable on-top CO configuration. This motif emerged naturally from the predictive modeling and represents a class of intermetallic CO 2 reduction catalysts. These sites rationalize recent experimental reports of nickel gallium activity and why previous materials screens missed this exciting material. Most importantly these methods suggest that bimetallic catalysts will be discovered by studying facet reactivity and diversity of active sites more systematically.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Starting-point-independent quantum Monte Carlo calculations of iron oxide

Quantum Monte Carlo (QMC) methods are useful for studies of strongly correlated materials because they are many body in nature and use the physical Hamiltonian. Typical calculations assume as a starting point a wave function constructed from single-particle orbitals obtained from one-body methods, e.g., density functional theory. However, mean-field-derived wave functions can sometimes lead to systematic QMC biases if the mean-field result poorly describes the true ground state. In this study, we examine the accuracy and flexibility of QMC trial wave functions using variational and fixed-node diffusion QMC estimates of the total spin density and lattice distortion of antiferromagnetic iron oxide (FeO) in the ground state B1 crystal structure. We found that for relatively simple wave functions the predicted lattice distortion was controlled by the choice of single-particle orbitals used to construct the wave function, rather than by subsequent wave function optimization techniques within QMC. By optimizing the orbitals with QMC, we then demonstrate starting-point independence of the trial wave function with respect to the method by which the orbitals were constructed by demonstrating convergence of the energy, spin density, and predicted lattice distortion for two qualitatively different sets of orbitals. The results suggest that orbital optimization is a promising method for accurate many-body calculations of strongly correlated condensed phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2009

Probabilistic Assessment of Radiation Risk for Astronauts in Space Missions

Accurate predictions of the health risks to astronauts from space radiation exposure are necessary for enabling future lunar and Mars missions. Space radiation consists of solar particle events (SPEs), comprised largely of medium energy protons, (less than 100 MeV); and galactic cosmic rays (GCR), which include protons and heavy ions of higher energies. While the expected frequency of SPEs is strongly influenced by the solar activity cycle, SPE occurrences themselves are random in nature. A solar modulation model has been developed for the temporal characterization of the GCR environment, which is represented by the deceleration potential, phi. The risk of radiation exposure from SPEs during extra-vehicular activities (EVAs) or in lightly shielded vehicles is a major concern for radiation protection, including determining the shielding and operational requirements for astronauts and hardware. To support the probabilistic risk assessment for EVAs, which would be up to 15% of crew time on lunar missions, we estimated the probability of SPE occurrence as a function of time within a solar cycle using a nonhomogeneous Poisson model to fit the historical database of measurements of protons with energy > 30 MeV, (phi)30. The resultant organ doses and dose equivalents, as well as effective whole body doses for acute and cancer risk estimations are analyzed for a conceptual habitat module and a lunar rover during defined space mission periods. This probabilistic approach to radiation risk assessment from SPE and GCR is in support of mission design and operational planning to manage radiation risks for space exploration.

Kim, Myung-Hee↗
DOE OSTI2020

Estimation of solar photovoltaic energy curtailment due to volt–watt control

The widespread deployment of autonomous inverter‐based solutions for mitigating voltage and frequency excursions caused by high‐penetration photovoltaic (PV) systems has drawn increased attention due to their potential impact on PV production. It is now important to quantify the amount of solar energy curtailed as a result of the activation of inverter‐based grid support functions (GSFs). This study proposes a methodology for estimating the impact of volt–watt on customer PV energy curtailment using smart meter voltage data. This method estimates maximum possible curtailment for a given volt–watt curve based on the customer smart meter voltage during the time period of interest. This study compares the proposed methodology with field measurements using irradiance and customer inverter data from Hawaii as well as with results from a previous simulation‐driven study on the impact of advanced inverter GSF activation on PV energy curtailment. Results show that the proposed method for estimating lost PV production caused by volt–watt control aligns reasonably well with field measurements and computer simulations for hundreds of customers. The proposed method could be used to estimate customer energy curtailment, which could inform future compensation mechanisms for utilities leveraging customer‐sited resources to mitigate high voltage and defer infrastructure upgrades.

Emmanuel, Michael↗
DOE OSTI2017

Revisiting Boundary Perturbation Theory for Inhomogeneous Transport Problems

Adjoint-based first-order perturbation theory is applied again to boundary perturbation problems. Rahnema developed a perturbation estimate that gives an accurate first-order approximation of a flux or reaction rate within a radioactive system when the boundary is perturbed. When the response of interest is the flux or leakage current on the boundary, the Roussopoulos perturbation estimate has long been used. The Rahnema and Roussopoulos estimates differ in one term. Our paper shows that the Rahnema and Roussopoulos estimates can be derived consistently, using different responses, from a single variational functional (due to Gheorghiu and Rahnema), resolving any apparent contradiction. In analytic test problems, Rahnema’s estimate and the Roussopoulos estimate produce exact first derivatives of the response of interest when appropriately applied. We also present a realistic, nonanalytic test problem.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Data-Driven Robust RVFLNs Modeling of a Blast Furnace Iron-Making Process Using Cauchy Distribution Weighted M-Estimation

Optimal operation of a practical blast furnace (BF) ironmaking process depends largely on a good measurement of molten iron quality (MIQ) indices. However, measuring the MIQ online is not feasible using the available techniques. In this paper, a novel data-driven robust modeling is proposed for online estimation of MIQ using improved random vector functional-link networks (RVFLNs). Since the output weights of traditional RVFLNs are obtained by the least squares approach, a robustness problem may occur when the training dataset is contaminated with outliers. This affects the modeling accuracy of RVFLNs. To solve this problem, a Cauchy distribution weighted M-estimation based robust RFVLNs is proposed. Since the weights of different outlier data are properly determined by the Cauchy distribution, their corresponding contribution on modeling can be properly distinguished. Thus robust and better modeling results can be achieved. Moreover, given that the BF is a complex nonlinear system with numerous coupling variables, the data-driven canonical correlation analysis is employed to identify the most influential components from multitudinous factors that affect the MIQ indices to reduce the model dimension. Finally, experiments using industrial data and comparative studies have demonstrated that the obtained model produces a better modeling and estimating accuracy and stronger robustness than other modeling methods.

42 ENGINEERING↗
NASA NTRS1980

Model error estimation for large space systems

In-flight estimation of large structure model errors may have to be carried out in order to detect inevitable deficiencies in large structure controller/estimator models. These error estimates can most efficiently be obtained by the minimization of a quadratic functional of the model errors and on the subsequent analysis of the resulting optimal model error estimates. An integral operator approach to estimation leads to a geometrical interpretation of the model error estimation process. One of the significant insights gained with this interpretation is that the actual but unknown model errors can be decomposed as the sum of two distinct components that are orthogonal in some sense. One of these components is a so-called minimal error vector that retains many of the significant dynamics of the actual errors. The basic ideas in the model error estimation approach are first set forth with a two-dimensional analogy that has most of the essential features of the general estimation problem. The generalized results are then established and their application to a reference large structure model illustrated.

Rodriguez, G.↗
NASA NTRS1992

Aircraft- and tower-based fluxes of carbon dioxide, latent, and sensible heat

Fluxes of carbon dioxide, water vapor, and sensible heat obtained over a grassland ecosystem, during the First International Satellite Land Surface Climatology Project (ISLSCP) Field Experiment (FIFE), using an aircraft- and two tower-based systems are compared for several days in 1987 and in 1989. The tower-based cospectral estimates of CO2, sensible heat, water vapor, and momentum, expressed as a function of wavenumber K times sampling height z, are relatively similar to the aircraft-based estimates for K x z greater than 0.1. A measurable contribution to the fluxes is observed by tower-based systems at K x z less than 0.01 but not by the aircraft-based system operating at an altitude of approximately 100 m over a 15 x 15 km area. Using all available simultaneous aircraft and tower data, flux estimates by both systems were shown to be highly correlated. As expected from the spatial variations of the greenness index, surface extrapolation of airborne flux estimates tended to lie between those of the two tower sites. The average fluxes obtained, on July 11, 1987, and August 4, 1989, by flying a grid pattern over the FIFE site agreed with the two tower data sets for CO2, but sensible and latent heat were smaller than those obtained by the tower-based systems. However, in general, except for a small underestimation due to the long wavelength contributions and due to flux divergence with height, the differences between the aircraft- and tower-based surface estimates of fluxes appear to be mainly attributable to differences in footprint, that is, differences in the area contributing to the surface flux estimates.

Desjardins, R. L.↗
NASA NTRS1995

Estimating Slopes In Images Of Terrain By Use Of BRDF

Proposed method of estimating slopes of terrain features based on use of bidirectional reflectivity distribution function (BRDF) in analyzing aerial photographs, satellite video images, or other images produced by remote sensors. Estimated slopes integrated along horizontal coordinates to obtain estimated heights; generating three-dimensional terrain maps. Method does not require coregistration of terrain features in pairs of images acquired from slightly different perspectives nor requires Sun or other source of illumination to be low in sky over terrain of interest. On contrary, best when Sun is high. Works at almost all combinations of illumination and viewing angles.

Scholl, Marija S.↗
DOE OSTI2017

Evaluating the Toxicity Reduction With Computed Tomographic Ventilation Functional Avoidance Radiation Therapy

Purpose: Computed tomographic (CT) ventilation imaging is a new modality that uses 4-dimensional (4D) CT information to calculate lung ventilation. Although retrospective studies have reported on the reduction in dose to functional lung, no work to our knowledge has been published in which the dosimetric improvements have been translated to a reduction in the probability of pulmonary toxicity. Our work estimates the reduction in toxicity for CT ventilation–based functional avoidance planning. Methods and Materials: Seventy previously treated lung cancer patients who underwent 4DCT imaging were used for the study. CT ventilation maps were calculated with 4DCT deformable image registration and a density change–based algorithm. Pneumonitis was graded on the basis of imaging and clinical presentation. Maximum likelihood methods were used to generate normal tissue complication probability (NTCP) models predicting grade 2 or higher (2+) and grade 3+ pneumonitis as a function of dose (V5 Gy, V10 Gy, V20 Gy, V30 Gy, and mean dose) to functional lung. For 30 patients a functional plan was generated with the goal of reducing dose to the functional lung while meeting Radiation Therapy Oncology Group 0617 constraints. The NTCP models were applied to the functional plans and the clinically used plans to calculate toxicity reduction. Results: By the use of functional avoidance planning, absolute reductions in grade 2+ NTCP of 6.3%, 7.8%, and 4.8% were achieved based on the mean fV20 Gy, fV30 Gy, and mean dose to functional lung metrics, respectively. Absolute grade 3+ NTCP reductions of 3.6%, 4.8%, and 2.4% were achieved with fV20 Gy, fV30 Gy, and mean dose to functional lung. Maximum absolute reductions of 52.3% and 16.4% were seen for grade 2+ and grade 3+ pneumonitis for individual patients. Conclusion: Our study quantifies the possible toxicity reduction from CT ventilation–based functional avoidance planning. Reductions in grades 2+ and 3+ pneumonitis were 7.1% and 4.7% based on mean dose-function metrics, with reductions as high as 52.3% for individual patients. Our work provides seminal data for determining the potential toxicity benefit from incorporating CT ventilation into thoracic treatment planning.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Estimating Ultraviolet Radiation From Global Horizontal Irradiance

Terrestrial ultraviolet radiation (UV) radiation is a primary factor contributing to the degradation of photovoltaic (PV) modules' efficiency and reliability over time. Therefore, accurate knowledge of terrestrial UV incident on the surface of the PV materials is essential to understand the degradation of PV modules and provide reliable assessment of their service life. As PV is deployed in various climate zones, it is crucial that terrestrial UV information is available at various locations. However, the availability of terrestrial UV data - measured or modeled - is extremely limited. On the other hand, total solar irradiance (TS) datasets are relatively abundant. In this study, the National Renewable Energy Laboratory, its industry partners, and ASTM's International Subcommittee on Radiometry and Service Life Prediction are developing a simple method to estimate the clear-sky terrestrial UV irradiance (280-400 nm, 295-400 nm, 285-385 nm, or 295-385 nm) from total irradiance data (280-4000 nm). The goal is to provide reliable estimates of the UV received by samples as a function of location, orientation, tilt, and airmass, thus encompassing a variety of conditions. Here, the Simple Model of the Atmospheric Radiative Transfer of Sunshine (SMARTS) model is used to estimate the UV:TS ratio under various scenarios, and examines the influences of atmospheric constituents, such as aerosols, precipitable water vapor or ozone, and of the local surface characteristics (albedo), on the predicted UV.

14 SOLAR ENERGY↗