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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The use of digital thread for reconstruction of local fiber orientation in a compression molded pin bracket via deep learning

A deep convolutional neural network (DCNN) was used for microstructure reconstruction using artificial intelligence (MR-AI) by predicting local average fiber orientation distributions (FOD) in a 3D prepreg platelet molded composite (PPMC) pin bracket. To train the MR-AI model, surface strain fields from residual stresses simulated in PPMC plates were used as the input to the DCNN. A training dataset included PPMC plates with various degrees of global fiber alignment, based on the information obtained from high-fidelity flow simulation of a pin bracket. Further, the MR-AI model was then deployed to analyze FOD in the 3D pin bracket by conducting thermo-elastic residual stress analysis. Initially, the MR-AI model was established entirely on the synthetic simulation data. Then, a μCT scan of a physically molded pin bracket was used to create a finite element model that provided data for additional validation of the DCNN model. For the μCT scan finite element pin bracket the MR-AI model predicted the distribution of fiber orientation tensor components with MAE of 0.10 indicating a global prediction error of 10%. For the flow simulated pin bracket, the MR-AI model predicted the distribution of fiber orientation tensor components with a global prediction error of 11%. The MR-AI model showed the ability to predict regions of varying alignment in the base and flange of the pin bracket. The proposed MR-AI methodology allows for rapid prediction of FOD in geometrically complex parts and offers a promising path to detecting unique fiber orientation states in molded components.

42 ENGINEERING↗
DOE OSTI2020

Predicting Device Parameters for Dye-Sensitized Solar Cells from Electronic Structure Calculations to Reproduce Experiment.

Given that improvements to the power-conversion efficiency (PCE) of dye-sensitized solar cells (DSSCs) have slowed in recent years, a means to accurately predict the device parameters yielded by trial dyes in silico, without having to synthesize them, would be extremely valuable to speed up the design process. Currently, the best-performing methods of calculating device parameters rely on a set of experimentally determined kinetic coefficients. In practice, it is very difficult to measure these kinetic parameters accurately, limiting the overall accuracy of such predictive methods. This work proposes a model to obtain key parameters such as J(SC), V-OC, and PCE using only the results from density functional theory (DFT) and time-dependent DFT calculations, noting that rates of electron-transfer steps are ultimately linked to the electronic structure of the dye center dot center dot center dot TiO2 working electrode. Six organic DSSC dyes from dissimilar chemical classes (L0, L1, L2, WS-2, WS-92, and C281) were chosen to demonstrate the power of this approach. Their a priori known experimentally determined device performance metrics served to validate our predictions. The greatest absolute error in our predicted PCE values was 0.36% relative to the experiment, while the greatest fractional error was 0.042. This indicates that the proposed model offers a dramatic improvement on previous predictive methods for DSSC device parameters, both in accuracy and in consistency. Moreover, such a predictive model has great potential to be applied to other photovoltaic applications, further enabling the design of novel, highly efficient photoactive materials.

density functional theory↗
DOE OSTI2025

Deterministic High-Fidelity Neutronics Simulation of Pebble Bed Reactors Using Pebble Tracking Transport

The pebble tracking transport (PTT) algorithm offers a high-fidelity deterministic approach for neutron transport for pebble bed reactors (PBRs). This approach requires the mesh for the active-core region to consist exclusively of tetrahedral elements, where each node in the pebble-packing region represents a pebble centroid. This paper investigates the application of PTT for full-scale PBRs, considering both the isothermal and the temperature-dependent core conditions. Macroscopic cross sections are generated using Serpent 2 full-core eigenvalue simulations where pebbles are grouped into disjoint subsets using machine learning. To minimize the need for individual cross-section sets for each pebble in the core, K-means clustering is used to group pebbles by temperature and neutronic environment parameters. Here, we compare the multiplication factor and power rate distributions between PTT simulations using the Griffin reactor physics software and reference solutions from Serpent 2. Our analysis shows that a full-core, high-fidelity PTT calculation produces accurate results with minimal local (pebblewise) errors. Additionally, timing results indicate that PTT simulations converge rapidly on modern supercomputing platforms.

Griffin↗
DOE OSTI2024

Systematic Uncertainties from Gribov Copies in Lattice Calculation of Parton Distributions in the Coulomb Gauge

Recently, a new method has been proposed to compute parton distributions using boosted correlators fixed in the Coulomb gauge (CG) within the framework of large-momentum effective theory. This approach, which does not involve Wilson lines, could greatly improve the efficiency and precision of lattice quantum chromodynamics calculations. However, concerns remain regarding whether systematic uncertainties from Gribov copies, which correspond to ambiguities in lattice gauge-fixing, are adequately controlled. This work assesses the effects of Gribov copies on Coulomb-gauge-fixed quark correlators. We utilize different strategies for Coulomb-gauge fixing, selecting two different groups of Gribov copies based on lattice gauge configurations. We examine the differences in the resulting spatial quark correlators in both vacuum and pion states. Our findings indicate that the statistical errors of the matrix elements from both Gribov copies, regardless of the correlation range, decrease proportionally to the square root of the number of gauge configurations. The difference between the strategies does not show statistical significance compared to the gauge noise, demonstrating that the effect of the Gribov copies can be neglected in practical lattice calculations of quark parton distributions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Charge Radius of Neutron-Deficient Ni 54 and Symmetry Energy Constraints Using the Difference in Mirror Pair Charge Radii

he nuclear root-mean-square charge radius of Ni 54 was determined with collinear laser spectroscopy to be R ( Ni 54 ) = 3.737 ( 3 ) fm . In conjunction with the known radius of the mirror nucleus Fe 54 , the difference of the charge radii was extracted as Δ R ch = 0.049 ( 4 ) fm . Based on the correlation between Δ R ch and the slope of the symmetry energy at nuclear saturation density ( L ), we deduced 21 ≤ L ≤ 88 MeV . The present result is consistent with the L from the binary neutron star merger GW170817, favoring a soft neutron matter EOS, and barely consistent with the PREX-2 result within 1 σ error bands. Our result indicates the neutron-skin thickness of Ca 48 as 0.15–0.21 fm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Performance Comparison of Circular and Spherical Error Probable Estimators

This report compares the performance of three Circular Error Probable (CEP) estimators: the Grubbs-Patnaik estimator, a new, non-iterative, radial-integration estimator, and a median estimator. It also compares the performance of two Spherical Error Probable (SEP) estimators. The performance of each estimator is assessed in terms of bias, uncertainty, robustness, and computational complexity. Robustness is evaluated with respect to outliers, variations in the underlying statistical distribution characterizing munition impact positions, and impact-position measurement errors. The performance assessments indicate the radial-integration and Grubbs-Patnaik estimators perform nearly identically providing the statistical distribution of impact-position coordinates is jointly normal with zero means. In that case, both estimators outperform the median estimator by about 2% relative to the true CEP in terms of estimator uncertainty. The bias performance of the radial-integration and median estimators is close to zero for jointly normal impacts, however, the Grubbs-Patnaik estimator can be significantly biased for jointly normal impacts with non-zero means. When the statistical distribution characterizing impact positions is known, but not jointly normal, the radial-integration estimator is superior. In this case, the median estimator also outperforms the Grubbs-Patnaik estimator but is not quite as good as the radial-integration estimator. If the statistical distribution characterizing impacts is unknown and not jointly normal, or if distribution parameters are difficult or impractical to estimate, or if test data is corrupted with outliers, then the median estimator dramatically outperforms the other estimators, especially in terms of estimation bias. Unexpectedly, measurement noise did not significantly degrade the performance of any of the estimators, except for cases with signal to noise ratios less than five. Although the Grubbs-Patnaik estimator has remained the gold standard for CEP estimation for over half a century, the performance assessments indicate the new, non-iterative, radial-integration estimator and the median estimator offer significant advantages and, in most practical real-world conditions, are superior estimators. These estimators are also useful for SEP estimation whereas the Grubbs-Patnaik estimator does not extend to three dimensions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Revisiting Multi-Material Composite Structures with Homogenized Composite Properties

Composite structures inherently develop residual stresses during their curing process. Driven predominately by mismatched thermal strains between differing materials or ply orientations, but also affected by curing process phenomena like polymer shrinkage, these residual stresses can lead to failure within composite structures. There are several methods varying in complexity that can be used to model the development of residual stresses, all of which are capable of capturing sufficient detail to understand the residual stress state at the ply level. However, explicitly modeling all plies of a layup in a composite structure can be prohibitively expensive based on the number of plies, structure size, and required element size. The computational cost can be reduced through the homogenization of the composite layup without losing much fidelity of the overall response of the structure. The homogenization process reduces the many plies of a laminate to a single lamina that reduces complexity and increases the mesh size where a single element can span multiple plies. This report focuses on verification and validation efforts for a homogenization process using a suite of finite element simulations rather than an analytic solution derived from classical laminate theory. Initial verification using representative element volumes indicated there was minimal error in the homogenization process; however, this compounded to a small, but acceptable error in strip and split ring experimental composite structures. The error does under predict the residual stress state in the strip and split ring and should be accounted for when simulating composite structures with homogenized properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Code Coverage Status of the ARC Code PERSENT

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. PERSENT fulfills the role of generating reactivity coefficients for a given time point of a REBUS calculation usable in a point kinetics based safety analysis capability. PERSENT also provides a sensitivity coefficient capability on eigenvalue, reactivity worth, and several other key coefficients that are used in the follow-on safety analysis. Given a co-variance matrix, PERSENT can carry out the uncertainty quantification to indicate the amount of error in the reactivity coefficients derived from the errors in the cross section measurements. With continued improvement of computational resources, many of the geometry modeling capabilities in DIF3D that were primarily used in low order schemes are not really needed anymore. Today, the diffusion and transport capabilities of DIF3D-VARIANT are primarily used in the reactor design process with some scattered usage of DIF3D-FD and DIF3D-Nodal. PERSENT is part of the ARC code system and is built around DIF3D-VARIANT and the flux solution it provides. The purpose of the present work is to identify a set of test problems for PERSENT and assess the code coverage of PERSENT for those test problems. PERSENT treats the DIF3D executable as an external executable and thus the code coverage considerations only need to focus on the PERSENT source code and only a fraction of the connected modules in the existing ARC software library. The goal is to document what parts of the existing PERSENT code are touched by the set of test problems and which are not. Because the verification work done on PERSENT was focused on the most common uses of PERSENT for fast reactor analysis, the code coverage assessment of those capabilities is the highest priority. This will ensure that nothing is being missed by the existing verification test problems that users of PERSENT rely upon. The code coverage analysis of PERSENT was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of PERSENT. The detailed coverage tables are given for each submodule of PERSENT. Most of the uncovered parts/files could be easily ignored because they are either for error message and debugging output or not needed by PERSENT today. Only a few uncovered parts of PERSENT deserve extending the verification test suite.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Evaluation of New Additions to OLI Software in Predicting Mercuric and Mercurous Species in Liquid Waste Operations

Speciation of mercury during the pretreatment steps of tank waste processing is critical to successful mercury removal prior to vitrification during Liquid Waste Operations (LWO) at SRS. OLI software has been used to predict mercury speciation and activity throughout LWO. The OLI software operates based on a thermodynamic framework called the Mixed Solvent Electrolyte (MSE) framework. The MSE framework allows prediction in theoretically infinitely dilute to concentrated mixtures (e.g., purely solute solutions). Before modification to the MSE framework databanks, certain critical mercury species were missing in the MSE databank, and some thermodynamic data needed to be updated for the OLI software to accurately predict mercury chemical species in SRS waste tanks. To better reflect streams across LWO, new mercury species were integrated into the MSE database. To evaluate the changes to the OLI MSE framework per the Technical Task Request (TTR) and the Task Technical and Quality Assurance Plan (TTQAP), waste stream compositions from Tanks 38, 43, and Tank 50 decontaminated salt solution (DSS) were used as model inputs. Models were developed and executed using both the old and new databases. Compositional analyses from caustic Tank 50 DSS and caustic Tanks 38 and 43 were used as the input streams. These streams represent the most comprehensive chemical data sets where both mercury and tank constituents were measured together. Results for Tank 50 DSS predict HgO as the predominant species in both databases. Both methyl and dimethyl Hg species are present when the new database is ‘on’ and are not predicted with the new database turned ‘off’. The new database predicts a greater amount of HgO and a greater fraction of it in the solid phase. Pourbaix diagrams (potential vs. pH) generated for each Tank 50 DSS were identical regardless of which database was used. Elemental Hg and HgO were predicted in the water stable region under basic conditions. Tanks 38 and 43 follow similar trends as the Tank 50 DSS models. Unlike Tanks 38 and 50 DSS, the Tank 43 Pourbaix plot shows a region of stability for an aqueous HgOHCO3 - species between approximately pH 7-11. In all streams, when MeHg+ is included in the inputs, the new database predicts aqueous MeHgOH as the dominant species. If elemental or dimethyl mercury is in the waste stream, the new database model predicts they are unchanged and remain in those states and quantities. Additionally, the total mercury values are reported for both the measured input data and the OLI output data for all considered tanks. The summary indicates that the percentage error between the measured and calculated values is less than 1% in all cases The reconciliations and generation of the Pourbaix diagrams for Tank 50 DSS took approximately ten times longer with the new database ‘on’. In addition, over the course of that time, models with the new database ‘on’ were more likely to crash or display an error. Some modest performance improvements were noted when modeling with an i7 processor versus an i5. An example error is found in Appendix A. Furthermore, Appendix B provides V&V for two chemical systems analyzed with the OLI software, results were satisfactory. It is recommended to utilize the new databases (i.e., HCO.ddb and SR-Hg.ddb) in future Savannah River Mission Completion applications of OLI to represent pseudo steady-state. Furthermore, the integration and utilization of the new databases (i.e., HCO.ddb and SR-Hg.ddb) in modeling applications (e.g., Aspen) is also recommended.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Patterns, drivers, and a predictive model of dam removal cost in the United States

Given the burgeoning dam removal movement and the large number of dams approaching obsolescence in the United States, cost estimating data and tools are needed for dam removal prioritization, planning, and execution. We used the list of removed dams compiled by American Rivers to search for publicly available reported costs for dam removal projects. Total cost information could include component costs related to project planning, dam deconstruction, monitoring, and several categories of mitigation activities. We compiled reported costs from 455 unique sources for 668 dams removed in the United States from 1965 to 2020. The dam removals occurred within 571 unique projects involving 1–18 dams. When adjusted for inflation into 2020 USD, cost of these projects totaled $\$1.522$ billion, with per-dam costs ranging from $\$1$ thousand (k) to $\$268.8$ million (M). The median cost for dam removals was $\$157$k, $\$823$k, and $\$6.2$M for dams that were< 5 m, between 5–10 m, and > 10 m in height, respectively. Geographic differences in total costs showed that northern states in general, and the Pacific Northwest in particular, spent the most on dam removal. The Midwest and the Northeast spent proportionally more on removal of dams less than 5 m in height, whereas the Northwest and Southwest spent the most on larger dam removals > 10 m tall. We used stochastic gradient boosting with quantile regression to model dam removal cost against potential predictor variables including dam characteristics (dam height and material), hydrography (average annual discharge and drainage area), project complexity (inferred from construction and sediment management, mitigation, and post-removal cost drivers), and geographic region. Dam height, annual average discharge at the dam site, and project complexity were the predominant drivers of removal cost. The final model had an R 2 of 57% and when applied to a test dataset model predictions had a root mean squared error of $\$5.09$M and a mean absolute error of $\$1.45$M, indicating its potential utility to predict estimated costs of dam removal. We developed a R shiny application for estimating dam removal costs using customized model inputs for exploratory analyses and potential dam removal planning.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Ten Years of VIIRS Land Surface Temperature Product Validation

The Visible Infrared Imaging Radiometer Suite (VIIRS) Land Surface Temperature (LST) has been operationally produced for a decade since the Suomi National Polar-orbiting Partnership (SNPP) launched in October 2011. A comprehensive evaluation of its accuracy and precision will be helpful for product users in climate studies and atmospheric models. In this study, the VIIRS LST is validated with ground observations from multiple high-quality radiation networks, including six stations from the Surface Radiation budget (SURFRAD) network, two stations from the Baseline Surface Radiation Network (BSRN), and 13 stations from the Atmospheric Radiation Measurement (ARM) network, to evaluate its performance over various land-cover types. The VNP21A1 LST was validated against the same ground observations as a reference. The results yield a close agreement between the SNPP VIIRS LST and ground LSTs with a bias of -0.4 K and a RMSE of 1.96 K over six SURFRAD sites; a bias of -0.2 K and a RMSE of 1.93 K over two BSRN sites; and a bias of -0.1 K and a RMSE of 1.7 K over the 13 ARM sites. The time series of the LST errors over individual sites indicate seasonal cycles. The data anomaly over the BSRN site in Cabauw and the SURFRAD site in Desert Rock is revealed and discussed in this study. In addition, a method using Landsat-8 data is applied to quantify the heterogeneity level of each ground station and the results provide promising insights. The validation results demonstrate the maturity of the JPSS VIIRS LST products and their readiness for various application studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Effective Opacity of the Intergalactic Medium from Galaxy Spectra Analysis

We measure the effective opacity (τ{sub eff}) of the intergalactic medium from the composite spectra of 281 Lyman-break galaxies in the redshift range 2 ≲ z ≲ 3. Our spectra are taken from the COSMOS Lyα Mapping And Tomographic Observations survey derived from the Low Resolution Imaging Spectrometer on the W.M. Keck I telescope. We generate composite spectra in two redshift intervals and fit them with spectral energy distribution (SED) models composed of simple stellar populations. Extrapolating these SED models into the Lyα forest, we measure the effective Lyα opacity (τ{sub eff}) in the 2.02 ≤ z ≤ 2.44 range. At z = 2.22, we estimate τ{sub eff} =0.159±0.001 from a power-law fit to the data. These measurements are consistent with estimates from quasar analyses at z < 2.5 indicating that the systematic errors associated with normalizing quasar continua are not substantial. We provide a Gaussian processes model of our results and previous τ{sub eff} measurements that describes the steep redshift evolution in τ{sub eff} from z = 1.5–4.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1971

On the relationship between aerosol content and errors in telephotometer experiments.

This paper presents an invariant imbedding theory of multiple scattering phenomena contributing to errors in telephotometer experiments. The theory indicates that there is a simple relationship between the magnitudes of the errors introduced by successive orders of scattering and it is shown that for all optical thicknesses each order can be represented by a coefficient which depends on the field of view of the telescope and the properties of the scattering medium. The verification of the theory and the derivation of the coefficients have been accomplished by a Monte Carlo program. Both monodisperse and polydisperse systems of Mie scatterers have been treated. The results demonstrate that for a given optical thickness the coefficients increase strongly with the mean particle size particularly for the smaller fields of view.

Thomas, R. W. L.↗
NASA NTRS1972

Application of manual control theory to the study of biological stress

A study was run using both a stable, third-order task and an adaptive first-order unstable task singly and in combination to test the effects of 2 min hypoxia (22000 ft) on human operator. The results indicate that the RMS error in the stable task does not change as a function of hypoxic stress whereas the error in an unstable task changes significantly. Models involving human operator parameter changes and noise injection are discussed.

Replogle, C. R.↗
NASA NTRS1972

A very high speed hard decision sequential decoder.

Description of a 40-Mbps hard-decision sequential decoder for high-data-rate coding systems for earth-orbiting space missions with power-limited links. A prototype decoder has been designed and fabricated using the fastest commercially available digital integrated circuits, MECL III. Thus far, an internal computational rate of 70 million computations per second has been achieved. Computational efficiency of the decoding algorithm was greatly improved by incorporating two modifications to the Fano algorithm - 'double quick threshold loosening' and 'diagonal steps.' Preliminary results indicate that an output error rate of 0.00001 can be achieved with E sub b/N sub zero less than 5.4 dB at data rates up to 40 Mbps. At lower data rates, even less signal energy is required. This decoder is believed to be at least five times faster than any previous sequential decoder.

Gilhousen, K. S.↗
NASA NTRS1973

Average correlation functions in on-line testing of linear systems

This paper is a report on new methods for on-line testing of single-input/single-output linear and time-invariant systems. No interruption of system operation is necessary, since the signals used in this test procedure are the normal operating signals. Test results indicate that detectable system errors using finite amounts of data are well within tolerance for normal operation in all but the most stringent applications.

Mix, D. F.↗
NASA NTRS1978

Ionosphere/microwave beam interaction study

The microwave beam of the Solar Power Satellite (SPS) is predicted to interact with the ionosphere producing thermal runaway up to an altitude of about 100 kilometers at a power density threshold of 12 mW/cm sq (within a factor of two). The operation of the SPS at two frequencies, 2450 and 5800 MHz, is compared. The ionosphere interaction is less at the higher frequency, but the tropospheric problem scattering from heavy rain and hail is worse at the higher frequency. Microwave signals from communication satellites were observed to scintillate, but there is some concern that the uplink pilot signal may be distorted by the SPS heated ionosphere. The microwave scintillations are only observed in the tropics in the early evenings near the equinoxes. Results indicate that large phase errors in the uplink pilot signal can be reduced.

Gordon, W. E.↗
NASA NTRS1978

The forward scattering of microwave solar radiation from a water surface

The forward scattering of microwave solar radiation from both smooth and rough water surfaces is computed. The smooth surface is assumed specular, and the rough surface is represented by a two-scale surface, for which two small-scale perturbation parameters, 0.10 and 0.25, are considered. The contribution of the scattered sunlight to the antenna temperature is found using the scalar approximation, and the results are compared with radiometer measurements. The overall agreement is good, but in some cases the smooth-surface measurements are higher than the computations. This discrepancy possibly indicates an absolute calibration error or a slight misalignment of the antennas' boresights. The computations for the two perturbation parameters bracket the rough-surface measurements except when the sun's mirror image is far removed from the boresight direction. The small disagreement in this case may be due to a peaked large-scale slope distribution.

Wentz, F. J.↗