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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Effects of MOF linker rotation and functionalization on methane uptake and diffusion

The flexible degrees of freedom in metal–organic frameworks (MOFs) can have significant effects on guest molecule behavior. However, in the majority of studies applying molecular simulations to MOFs, the framework is assumed to be rigid in order to minimize computational cost. Here, in this work, we assess the significance of this assumption on a representative example of methane uptake and diffusion in UiO-66. We introduce an open-source code to modify MOFs through functionalization and linker rotation and we perform Grand Canonical Monte Carlo and molecular dynamics simulations of methane in each of the functionalized and linker-rotated derivatives of UiO-66. We find that linker rotation moderately influences methane uptake and significantly influences methane diffusion. Our assessment provides ranges of property values that serve as measures of uncertainty of these two properties associated with linker rotation. We further determine that void volume fraction and minimum pore size are the features that govern methane uptake and diffusion, respectively. These findings illustrate the impact of linker rotation on MOFs and provide design principles to guide future investigations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Demonstration and Concept of Operations for a Zero-Knowledge Protocol Passive Imaging Measurement for Arms Control

Here, we present an imaging system that employs zero-knowledge protocols to protect sensitive geometrical information, along with procedures to increase confidence in the result. The goal of this work is to enable the inclusion of warhead confirmation measurements in future arms control treaties. We present a demonstration of both true positive and true negative measurements that validate models and establish authenticating procedures toward meeting acceptance requirements for use in nuclear facilities. We use a two-dimensional time-encoded fast neutron imaging system with an anti-symmetric mask pattern; the fast neutron count values exceeding minimum or maximum thresholds indicate that two measured items are not identical. Laboratory measurements over twenty trials show that alarm rates for negative confirmation measurements are within uncertainties of model predictions. Positive confirmation measurements indicate that alarm rates are large enough to encourage treaty compliance.

Sweany, Melinda Dominique [Sandia National Laborat↗
DOE OSTI2022

Cross-beam energy transfer saturation: ion heating and pump depletion

Cross-beam energy transfer (CBET) was measured in two regimes where the energy transfer saturation mechanism was determined by the plasma and laser beam conditions. Here, linear kinetic CBET theory agrees well with the measured energy transfer in all experimental configurations and at all probe beam intensities when accounting for pump depletion and the plasma conditions measured using Thomson-scattering. Simultaneous CBET and Thomson-scattering measurements enabled uncertainties in the plasma conditions to be isolated from CBET theory, which allowed the saturation mechanisms to be identified. In the perpendicular-beam configuration the saturation mode was through ion heating, which resulted from ion trapping in the driven waves and subsequent ion-ion collisional heating. In the co-propagating beam configuration there was minimal ion heating and the saturation mode was through pump depletion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

μ⋆ masses: weak-lensing calibration of the Dark Energy Survey Year 1 redMaPPer clusters using stellar masses

ABSTRACT We present the weak-lensing mass calibration of the stellar-mass-based μ⋆ mass proxy for redMaPPer galaxy clusters in the Dark Energy Survey Year 1. For the first time, we are able to perform a calibration of μ⋆ at high redshifts, z > 0.33. In a blinded analysis, we use ∼6000 clusters split into 12 subsets spanning the ranges 0.1 ≤ z < 0.65 and μ⋆ up to ${\sim} 5.5 \times 10^{13} \, \mathrm{M}_{\odot }$, and infer the average masses of these subsets through modelling of their stacked weak-lensing signal. In our model, we account for the following sources of systematic uncertainty: shear measurement and photometric redshift errors, miscentring, cluster-member contamination of the source sample, deviations from the Navarro–Frenk–White halo profile, halo triaxiality, and projection effects. We use the inferred masses to estimate the joint mass–μ⋆–z scaling relation given by $\langle M_{200c} | \mu _{\star },z \rangle = M_0 (\mu _{\star }/5.16\times 10^{12} \, \mathrm{M_{\odot }})^{F_{\mu _{\star }}} ((1+z)/1.35)^{G_z}$. We find $M_0= (1.14 \pm 0.07) \times 10^{14} \, \mathrm{M_{\odot }}$ with $F_{\mu _{\star }}= 0.76 \pm 0.06$ and Gz = −1.14 ± 0.37. We discuss the use of μ⋆ as a complementary mass proxy to the well-studied richness λ for: (i) exploring the regimes of low z, λ < 20 and high λ, z ∼ 1; and (ii) testing systematics such as projection effects for applications in cluster cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Primordial non-Gaussianity from the completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey – I: Catalogue preparation and systematic mitigation

ABSTRACT We investigate the large-scale clustering of the final spectroscopic sample of quasars from the recently completed extended Baryon Oscillation Spectroscopic Survey (eBOSS). The sample contains 343 708 objects in the redshift range 0.8 < z < 2.2 and 72 667 objects with redshifts 2.2 < z < 3.5, covering an effective area of $4699\, {\rm deg}^{2}$. We develop a neural network-based approach to mitigate spurious fluctuations in the density field caused by spatial variations in the quality of the imaging data used to select targets for follow-up spectroscopy. Simulations are used with the same angular and radial distributions as the real data to estimate covariance matrices, perform error analyses, and assess residual systematic uncertainties. We measure the mean density contrast and cross-correlations of the eBOSS quasars against maps of potential sources of imaging systematics to address algorithm effectiveness, finding that the neural network-based approach outperforms standard linear regression. Stellar density is one of the most important sources of spurious fluctuations, and a new template constructed using data from the Gaia spacecraft provides the best match to the observed quasar clustering. The end-product from this work is a new value-added quasar catalogue with the improved weights to correct for non-linear imaging systematic effects, which will be made public. Our quasar catalogue is used to measure the local-type primordial non-Gaussianity in a companion paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Mass Detection for Heavy-Duty Vehicles using Gaussian Belief Propagation

Predicting vehicle mass is critical to accurately estimate energy use and emissions of commercial trucks. However, data from vehicle telematics is often not at sufficient temporal resolution or accuracy for use in model-based detection methods. In this work, a new statistical mass prediction technique is described for heavy-duty vehicles that incorporates the use Gaussian Belief Propagation (GBP) for probabilistic inference. Similar to Bayesian inference models, the GBP model typically requires less labeled training data than other contemporary machine learning techniques. First, a factor graph is constructed, and a set of Gaussian belief nodes with associated means and variances are fitted to the training data. To better handle noisy input data, the GBP mass prediction model utilizes a k-nearest factors (kNF) algorithm for probabilistic inference on unseen testing data. The proposed method is compared with a classical weighted k-nearest neighbors (kNN) regressor. This statistical kNF-GBP model works even with low-quantity, low-quality initial training data, while being capable of realtime mass estimation. Unlike the kNN regressor, the GBP model produces a measure of uncertainty with its predictions. The proposed method is validated using curve-sampled driving data collected from multiple cloud-connected Class 8 regional haul diesel trucks. Both the kNN regressor and the kNF-GBP mass prediction model were able to predict payload mass with coefficients of determination above 0.97 with minimal data preprocessing.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

A Framework for Evaluating the Resilience Contribution of Solar PV and Battery Storage on the Grid

Motivated by decreased cost and climate change concerns, penetration of solar photovoltaic (PV) and battery energy storage has been continually increasing. The variability in solar generation assets has led to many challenges for utilities and researchers. Therefore, there is increasing interest in the area of resilience of the grid and contribution from its assets. This paper describes a proposed framework for evaluating the resilience contribution of solar generation and battery storage. The metric provides a quantifiable adaptive capacity measure with uncertainty for the contribution assets proved to the bulk grid. A case study using long and short-term solar generation, with and without battery storage, demonstrates the framework and provides useful insight to the resilience solar and battery storage assets contribute.

14 SOLAR ENERGY↗
DOE OSTI2020

Determination of jet calibration and energy resolution in proton–proton collisions at $\sqrt{s} = 8~\hbox {TeV}$ using the ATLAS detector

The jet energy scale, jet energy resolution, and their systematic uncertainties are measured for jets reconstructed with the ATLAS detector in 2012 using proton–proton data produced at a centre-of-mass energy of 8 TeV with an integrated luminosity of 20fb -1 . Jets are reconstructed from clusters of energy depositions in the ATLAS calorimeters using the anti-k t algorithm. A jet calibration scheme is applied in multiple steps, each addressing specific effects including mitigation of contributions from additional proton–proton collisions, loss of energy in dead material, calorimeter non-compensation, angular biases and other global jet effects. The final calibration step uses several in situ techniques and corrects for residual effects not captured by the initial calibration. Furthermore, these analyses measure both the jet energy scale and resolution by exploiting the transverse momentum balance in γ + jet, Z + jet, dijet, and multijet events. A statistical combination of these measurements is performed. In the central detector region, the derived calibration has a precision better than 1% for jets with transverse momentum 150 GeV < p T < 1500 GeV, and the relative energy resolution is (8.4 ± 0.6)% for p T =100 GeV and (23 ± 2)% for p T =20 GeV. The calibration scheme for jets with radius parameter R = 1.0, for which jets receive a dedicated calibration of the jet mass, is also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurement of non-prompt ${{\textrm{D}}^{0}}$-meson elliptic flow in Pb–Pb collisions at $\sqrt{s_{\textrm{NN}}} = 5.02$ TeV

The elliptic flow (v 2 ) of D 0 mesons from beauty-hadron decays (non-prompt D 0 was measured in midcentral (30–50%) Pb–Pb collisions at a centre-of-mass energy per nucleon pair $\sqrt{s_{\textrm{NN}}} = 5.02$ TeV with the ALICE detector at the LHC. The D 0 mesons were reconstructed at midrapidity $(|y|<0.8)$ from their hadronic decay D 0 →$K^-\pi^+$, in the transverse momentum interval $2< p_{\textrm{T}} < 12$ GeV/c. The result indicates a positive v 2 for non-prompt D 0 mesons with a significance of 2.7σ. The non-prompt D 0 -meson v 2 is lower than that of prompt non-strange D mesons with 3.2σ significance in $2< p_\textrm{T} < 8~\textrm{GeV}/c$, and compatible with the v 2 of beauty-decay electrons. Theoretical calculations of beauty-quark transport in a hydrodynamically expanding medium describe the measurement within uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Manufacturability-based optical design optimization for advanced Kirkpatrick–Baez X-ray focusing mirrors

The advanced Kirkpatrick–Baez (AKB) mirror setup is an effective and compelling solution to provide stable X-ray nano-focusing for synchrotron radiation or free-electron laser beamlines. We propose an AKB mirror design optimization approach to mitigate the difficulties associated with mirror fabrication by minimizing the total slope ranges of the four curved mirrors while achieving the expected focusing performance. In the optimization, we have considered geometry constraints to ensure the beam acceptance with the required clear aperture, the diffraction-limited focal size with the adequate numerical aperture, and the desired mirror gaps for adjustment and the necessary working distance for the sample stage. Additionally, practical constraints linked to mirror metrology and fabrication, such as mirror length limits and curvature uncertainty in measurement, are taken into account. Furthermore, progressive objective optimization eliminates the need for any initial guess, fully automating the AKB optimization process. This approach facilitates the development of an elegant Wolter-I or Wolter-III type AKB design solution that satisfies these multiple constraints. In cases where constraints cannot be simultaneously satisfied, the optimization results provide valuable insights into areas where trade-offs need to be considered. Simulations with ray tracing and wavefront propagation validate the optimized AKB design showing high tolerance to the beam incident angle.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stability and Convergence of Solutions to Stochastic Inverse Problems Using Approximate Probability Densities

Data-consistent inversion is designed to solve a class of stochastic inverse problems where the solution is a pullback of a probability measure specified on the outputs of a quantities of interest (QoI) map. Here, this work presents stability and convergence results for the case where finite QoI data result in an approximation of the solution as a density. Given their popularity in the literature, separate results are proven for three different approaches to measuring discrepancies between probability measures: f-divergences, integral probability metrics, and L p metrics. In the context of integral probability metrics, we also introduce a pullback probability metric that is well-suited for data-consistent inversion. This fills a theoretical gap in the convergence and stability results for data-consistent inversion that have mostly focused on convergence of solutions associated with approximate maps. Numerical results are included to illustrate key theoretical results with intuitive and reproducible test problems that include a demonstration of convergence in the measure-theoretic "almost" sense.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Geometric Scale-up Experiments on Fluidization of Geldart B Glass Beads

The objective of this work is to provide a valuable database from controlled experiments for validating computational models. Recently, coarse-grained techniques such as particle-in-cell (PIC) or coarse-grained discrete element modeling (DEM) have gained popularity due to their computational efficiency while modeling large-scale systems; however, the influence of model parameters and their sensitivities at different geometric scales and flow conditions remain to be analyzed. These datasets are critical for the multiphase flow research community to assess predictive capability of modeling techniques as well as elucidate the hydrodynamic behavior in these systems. This study performed fluidization experiments using three different test sections with internal diameters of 2.5, 4, and 6 in. The operating conditions, bed material, and range of flow velocities at the inlet were constant in all the units, which were not hydrodynamically scaled. Glass beads having a Sauter Mean Diameter of 332 μm were used. Superficial velocity was varied from 2.97 to 5.35 times the minimum fluidization velocity and the initial static bed height was 0.1524 m. The order in which the experiments were performed was randomized and replicates were included to provide uncertainty in measurements. Statistics of differential pressure and bed height from these tests were reported. Future plans include validating PIC methodology in the open-source software, MFiX (Multiphase Flow with Interphase Exchanges) using results from this study. This could further be extended to determine optimal model parameters using inverse techniques such as deterministic calibration or Bayesian inference.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Geometric Scale-up Experiments on Fluidization of Geldart B Glass Beads

The objective of this work is to provide a valuable database from controlled experiments for validating computational models. Recently, coarse-grained techniques such as particle-in-cell (PIC) or coarse-grained discrete element modeling (DEM) have gained popularity due to their computational efficiency while modeling large-scale systems; however, the influence of model parameters and their sensitivities at different geometric scales and flow conditions remain to be analyzed. These datasets are critical for the multiphase flow research community to assess predictive capability of modeling techniques as well as elucidate the hydrodynamic behavior in these systems. This study performed fluidization experiments using three different test sections with internal diameters of 2.5, 4, and 6 in. The operating conditions, bed material, and range of flow velocities at the inlet were constant in all the units, which were not hydrodynamically scaled. Glass beads having a Sauter Mean Diameter of 332 μm were used. Superficial velocity was varied from 2.97 to 5.35 times the minimum fluidization velocity and the initial static bed height was 0.1524 m. The order in which the experiments were performed was randomized and replicates were included to provide uncertainty in measurements. Statistics of differential pressure and bed height from these tests were reported. Future plans include validating PIC methodology in the open-source software, MFiX (Multiphase Flow with Interphase Exchanges) using results from this study. This could further be extended to determine optimal model parameters using inverse techniques such as deterministic calibration or Bayesian inference.

42 ENGINEERING↗
DOE OSTI2020

Three Delayed Critical 15-Inch-Diameter Interacting Enriched (93.14) Uranium Metal Cylinders Without Moderator and Reflector

This report documents very accurately the configuration and the materials for experiments with three unmoderated, unreflected, interacting, coaxial, highly enriched, 15-in.-diameter, uranium metal cylinders performed at the Oak Ridge Critical Experiments Facility (ORCEF) in August and September 1963 and described in logbook E 20 associated with experiments in the East cell of ORCEF. The information is sufficiently accurate that it can be used as the basis for preparation of benchmarks for International Criticality Safety Benchmark Program (ICSBEP) at Idaho National laboratory. The thickness of the cylinders was varied and the spacing between them was adjusted to achieve a delayed critical configuration. The average enrichment of the uranium metal was 94.14 wt. % 235U. The heights of the 15-in.-diameter, equal-height cylinders varied from 1-1/8to 2.00 inches. All interacting cylinders were assembled coaxially with their flat faces parallel and their combined masses varied between 182 and 325 kilograms of HEU metal. The data from these six experiments described are judged to be acceptable for use as criticality safety benchmark experiments for the ICSBEP and EURATOM’s Nuclear Energy Agency nuclear criticality safety benchmark program, once the uncertainty analysis is completed. Based on previous ICSBEP benchmarks with this enriched uranium metal at ORCEF, it is expected that the uncertainties in measured keff could be as low as ± 0.0002.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Time-of-Flight Estimation for Nondestructive Evaluation

Ultrasonic testing (UT) for nondestructive evaluation (NDE) is a critical entity necessary to resolve both the quality and precision questions of complex parts evolving from the classical approaches to the innovative additive manufacturing (AM) process. This modality provides the essential quantitative information for acceptance and potential flaw detectionof apart under investigation. A primary ingredient in UT besides the required precision robotic hardware for theacquisition of high-qualitymeasurement data is the underlying signal processing. It is here that much of the system performance capability resides. In this report,we discuss the basic steps in UT signal processing along with current capabilities that must be achieved in order to satisfy the criticaldemands of the various LLNL programs.In itsbasic foundations, signal processing is essentially the “extraction of critical information (signals) from noisy, uncertain data.” Clearly, in a perfect world the best signal processing is none---just make a reliable, noise-free, uncertainty-free, measurement. Unfortunately, even the best of systems is still straddled within the confines and limitations of physical instrumentation. With this in mind, we discuss the development of signal processing techniques toextract the desired UT information from noisy measurement data. We start with a discussion of a simple homogeneous representation of a “part” under investigation and its insonification by an ultrasonicexcitation from a physics-based perspective. Once developed, we briefly discussthe various choices of excitation signals and their tradeoffs.Next,we discuss a simulation approach employing simple models from the signal processing perspective and then move on to the development of the basic signal processing approach to ultrasonic signal processing all based on estimating the pulse arrival estimation. Starting with simple peak detection techniques, progressing to the processing workhorse so-called “matched-filter” and finally to the more sophisticated “model-based matched filter.”The underlying pre-and post-processing of noisy measurement data along with the application of these techniques are subsequently demonstrated on experimental ultrasonic data.Finally, we present some results for processing “weld” data when the ultrasonic excitation signal is not directly available.

42 ENGINEERING↗
DOE OSTI2021

Validation of the EDGES Low-band Antenna Beam Model

The response of the antenna is a source of uncertainty in measurements with the Experiment to Detect the Global Epoch of Reionization Signature (EDGES). We aim to validate the electromagnetic beam model of the low-band (50–100 MHz) dipole antenna with comparisons between models and against data. We find that simulations of a simplified model of the antenna over an infinite perfectly conducting ground plane are, with one exception, robust to changes in the numerical electromagnetic solver code or algorithm. For simulations of the antenna with the actual finite ground plane and realistic soil properties, we find that two out of three numerical solvers agree well. Applying our analysis pipeline to a simulated drift-scan observation from an early EDGES low-band instrument that had a 10 m × 10 m ground plane, we find residual levels after fitting and removing a five-term foreground model from the simulated data binned in local sidereal time (LST) average about 250 mK with ±40 mK variation between numerical solvers. A similar analysis of the primary 30 m × 30 m sawtooth ground plane reduced the LST-averaged residuals to about 90 mK with ±10 mK between the two viable solvers. More broadly we show that larger ground planes generally perform better than smaller ground planes. Simulated data have a power that is within 4% of real observations, a limitation of net accuracy of the sky and beam models. We observe that residual spectral structures after foreground model fits match qualitatively between simulated data and observations, suggesting that the frequency dependence of the beam is reasonably represented by the models. We find that a soil conductivity of 0.02 S m{sup -1} and relative permittivity of 3.5 yield good agreement between simulated spectra and observations. This is consistent with the soil properties reported by Sutinjo et al. for the Murchison Radio-astronomy Observatory, where EDGES is located.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Orbital-Radar v1.0.0: a tool to transform suborbital radar observations to synthetic EarthCARE cloud radar data

The Earth Cloud, Aerosol and Radiation Explorer (EarthCARE) satellite developed by the European Space Agency (ESA) and the Japan Aerospace Exploration Agency (JAXA) launched in May 2024 carries a novel 94 GHz cloud profiling radar (CPR) with Doppler capability. This work describes the open-source instrument simulator Orbital-Radar, which transforms high-resolution radar data from field observations or forward simulations of numerical models to CPR primary measurements and uncertainties. The transformation accounts for sampling geometry and surface effects. We demonstrate Orbital-Radar's ability to provide realistic CPR views of typical cloud and precipitation scenes. The presented case studies show small-scale convection, marine stratus clouds, and Arctic mixed-phase cloud cases. These results provide valuable insights into the capabilities and challenges of the EarthCARE CPR mission and its advantages over the CloudSat CPR. Finally, Orbital-Radar allows for evaluating kilometre-scale numerical weather prediction models with EarthCARE CPR observations. So, Orbital-Radar can generate calibration and validation (Cal/Val) data sets already pre-launch. Nevertheless, an evaluation of synthetic CPR output data to accurate EarthCARE CPR data is missing.

54 ENVIRONMENTAL SCIENCES↗