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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Probing the galaxy–halo connection with total satellite luminosity

ABSTRACT We demonstrate how the total luminosity in satellite galaxies is a powerful probe of dark matter haloes around central galaxies. The method cross-correlates central galaxies in spectroscopic galaxy samples with fainter galaxies detected in photometric surveys. Using models, we show that the total galaxy luminosity, Lsat, scales linearly with host halo mass, making Lsat an excellent proxy for Mh. Lsat is also sensitive to the formation time of the halo. We demonstrate that probes of galaxy large-scale environment can break this degeneracy. Although this is an indirect probe of the halo, it yields a high signal-to-noise ratio measurement for galaxies expected to occupy haloes at <1012 M⊙, where other methods suffer from larger errors. In this paper, we focus on observational and theoretical systematics in the Lsat method. We test the robustness of our method of finding central galaxies and our methods of estimating the number of background galaxies. We implement this method on galaxies in the Sloan Digital Sky Survey (SDSS) data, with satellites identified in fainter imaging data. We find excellent agreement between our theoretical predictions and the observational measurements. Finally, we compare our Lsat measurements to weak lensing estimates of Mh for red and blue subsamples. In the stellar mass range where the measurements overlap, we find consistent results, where red galaxies live in larger haloes. However, the Lsat approach allows us to probe significantly lower mass galaxies. At these masses, the Lsat values are equivalent. This example shows the potential of Lsat as a probe of dark haloes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Predicting images for the dynamics of stellar clusters ( π-DOC ): a deep learning framework to predict mass, distance, and age of globular clusters

ABSTRACT Dynamical mass estimates of simple systems such as globular clusters (GCs) still suffer from up to a factor of 2 uncertainty. This is primarily due to the oversimplifications of standard dynamical models that often neglect the effects of the long-term evolution of GCs. Here, we introduce a new approach to measure the dynamical properties of GCs, based on the combination of a deep-learning framework and the large amount of data from direct N-body simulations. Our algorithm, π-DOC (Predicting Images for the Dynamics Of stellar Clusters) is composed of two convolutional networks, trained to learn the non-trivial transformation between an observed GC luminosity map and its associated mass distribution, age, and distance. The training set is made of V-band luminosity and mass maps constructed as mock observations from N-body simulations. The tests on π-DOC demonstrate that we can predict the mass distribution with a mean error per pixel of 27 per cent, and the age and distance with an accuracy of 1.5 Gyr and 6 kpc, respectively. In turn, we recover the shape of the mass-to-light profile and its global value with a mean error of 12 per cent, which implies that we efficiently trace mass segregation. A preliminary comparison with observations indicates that our algorithm is able to predict the dynamical properties of GCs within the limits of the training set. These encouraging results demonstrate that our deep-learning framework and its forward modelling approach can offer a rapid and adaptable tool competitive with standard dynamical models.

Chardin, Jonathan↗
DOE OSTI2022

Mapping variations of redshift distributions with probability integral transforms

We present a method for mapping variations between probability distribution functions and apply this method within the context of measuring galaxy redshift distributions from imaging survey data. This method, which we name PITPZ for the probability integral transformations it relies on, uses a difference in curves between distribution functions in an ensemble as a transformation to apply to another distribution function, thus transferring the variation in the ensemble to the latter distribution function. This procedure is broadly applicable to the problem of uncertainty propagation. In the context of redshift distributions, for example, the uncertainty contribution due to certain effects can be studied effectively only in simulations, thus necessitating a transfer of variation measured in simulations to the redshift distributions measured from data. We illustrate the use of PITPZ by using the method to propagate photometric calibration uncertainty to redshift distributions of the Dark Energy Survey Year 3 weak lensing source galaxies. For this test case, we find that PITPZ yields a lensing amplitude uncertainty estimate due to photometric calibration error within 1 per cent of the truth, compared to as much as a 30 per cent underestimate when using traditional methods.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Using Grover's search algorithm to characterize the Rigetti Quantum Computing Platform

Performance of the Rigetti quantum computing platform was tested during the period of time from 12/16/2019 to 05/18/2020. The Grover's search (GS) algorithm was used as a testing tool, in particular, 3- and 4-level versions of the algorithm. As a result, a number of hardware issues were revealed, so the algorithm was split to smaller blocks and individual gates, and all of them were tested separately. The fidelity decay was found to be due to both decoherent processes and coherent errors of the native hardware gates. These errors were estimated from RX gate benchmarks and were in a form of extra rotation of the quantum state. As a consequence of that, performance of the algorithm was shown to be strongly dependent on the native gate decomposition of the program. Suggestions and possible improvements of the future Rigetti runs are made based on the obtained observations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Gamma Ray Detection In Liquid Argon Time Projection Chambers

Gamma rays are photons in excess of 100 keV of energy and can be produced by a variety of mechanisms like radioactive decay and inelastic neutrino-argon interactions. A reconstruc- tion of Compton scattering gamma rays was developed for use in liquid argon time projection chambers. This reconstruction was tested with detectors developed to demonstrate the ca- pabilities of Deep Underground Neutrino Experiment (DUNE) Near Detector Liquid Argon target (ND LAr). In October 2024, a radioactive fluorine-18 source was placed next to the Full Scale Demonstrator. The data obtained was used to test this reconstruction algorithm. It was able to determine the direction of the photons with an error of less than 10 percent. In addition to this work, there has been significant work on designing a liquid argon based Positron Emission Tomography (PET) scanner. PET scanners detect gamma rays emitted by a tracer chemical to help screen for diseases like cancer. In addition to the applications to medical imaging, this thesis briefly explores the applications of this reconstruction to de-excitation photons produced in interactions between neutrinos and argon nuclei. These applications could improve studies focusing on neutrinos originating from accelerators and supernovae.

Murphy, Thomas [Syracuse U.]↗
DOE OSTI2026

A Physics-Based Digital Twin for Wave Elevation and Seabed Moment Estimation of Offshore Monopiles: Preprint

In this work, we present a proof of concept of a physics-based digital twin for a monopile structure (with overhead inertia) subjected to wave loading. The digital twin is formulated using reduced-order models derived from first principles and combined with a Kalman filter for state estimation. The proposed framework estimates the monopile top motion, the wave elevation, and the section forces and moments along the pile using primarily acceleration measurements at the monopile top. Key innovations include the use of a hydrodynamic shape function to represent distributed wave loading in a compact and computationally efficient manner, and the introduction of a shaping filter to augment the state-space with wave kinematics. Synthetic measurement data are generated using OpenFAST and used as a reference to assess the performance of the digital twin. Results demonstrate that the wave elevation can be accurately reconstructed without direct sea-state measurements as long as the wave regime is inertia-dominated. Under the ideal tested conditions, the total hydrodynamic force and sea-bed bending moment are estimated with relative errors on the order of 1% and correlation coefficients exceeding 96%. Future work will evaluate the estimator's performance under operational uncertainties and more complex loading conditions.

17 WIND ENERGY↗
DOE OSTI2021

Solution Irregularity Remediation for Spatial Discretization Error Estimation for S N Transport Solutions

The discrete ordinates linear Boltzmann transport equation is typically solved in its spatially discretized form, incurring spatial discretization error. Quantification of this error for purposes such as adaptive mesh refinement or error analysis requires an a posteriori estimator, which utilizes the numerical solution to the spatially discretized equation to compute an estimate. Because the quality of the numerical solution informs the error estimate, irregularities, present in the true solution for any realistic problem configuration, tend to cause the largest deviation in the error estimate vis-a-vis the true error. In this paper, an analytical partial singular characteristic tracking (pSCT) procedure for reducing the estimator’s error is implemented within our novel residual source estimator for a zeroth-order discontinuous Galerkin scheme, at the additional cost of a single inner iteration. Here, a metric-based evaluation of the pSCT scheme versus the standard residual source estimator is performed over the parameter range of a Method of Manufactured Solutions test suite. The pSCT scheme generates near-ideal accuracy in the estimate in problems where the dominant source of the estimator’s error is the solution irregularity, namely, problems where the true solution is discontinuous and problems where the true solution’s first derivative is discontinuous and the scattering ratio is low. In problems where the scattering ratio is high and the true solution is discontinuous in the first derivative, the error in the scattering source, which is not converged by the pSCT scheme, is greater than the error incurred due to the irregularity. Ultimately, a pSCT scheme is judged to be useful for error estimation in problems where the computational cost of the scheme is justified. In the presence of many irregularities, such a scheme may be intractable for general use, but in benchmarks, as an analytical tool, or in problems that have nondissipative discontinuities, the scheme may prove invaluable.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

At-wavelength characterization of X-ray wavefronts in Bragg diffraction from crystals

The advent of next-generation synchrotron radiation sources and X-ray free-electron lasers calls for high-quality Bragg-diffraction crystal optics to preserve the X-ray beam coherence and wavefront. This requirement brings new challenges in characterizing crystals in Bragg diffraction in terms of Bragg-plane height errors and wavefront phase distortions. Here, a quantitative methodology to characterize crystal optics using a state-of-the-art at-wavelength wavefront sensing technique and statistical analysis is proposed. The method was tested at the 1-BM-B optics testing beamline at the Advanced Photon Source for measuring silicon and diamond crystals in a self-referencing single-crystal mode and an absolute double-crystal mode. The phase error sensitivity of the technique is demonstrated to be at the λ/100 level required by most applications, such as the characterization of diamond crystals for cavity-based X-ray free-electron lasers.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Comparison of fluence-rate determination techniques for the Advanced Test Reactor-Critical Facility

A technique using small, enriched uranium-aluminum alloy monitors to measure fission rates in fuel plate assembly reactors was developed at the Idaho National Laboratory Radiation Measurements Laboratory in support of Advanced Test Reactor Critical (ATR-C) Facility irradiations. Previous measurements were performed to determine the correlation between the beta-particle activity and the fission rate in the U-Al monitors following irradiation. The American Society for Testing and Materials (ASTM) has established a standard practice E704 for determining neutron fluence rate by radioactivation of depleted uranium by measuring the concentration of fission-products in irradiated uranium monitors. Rather than measuring the beta-particle decay from fission-products, the decay rate of fission-products is determined by gamma-ray spectroscopy. The feasibility of using a method adapted from the ASTM standard practice E704 was investigated for ATR-C irradiations and compared to the present method by analyzing a subset of 21 monitor wires using both methods. The resulting calculated fission rates agreed with an average standard deviation of 7.45%, within the average combined measurement error of 9.05%. Practical considerations such as expected fluence-rates, sample activity, and counting-time were compared between the two methods and the sources of error for each method were investigated. Quality assurance measurements utilizing the modified ASTM standard method are recommended for future test irradiation, but gross-beta-particle counting remains the most practical solution for ATR-C fluence-rate determination.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Numerical Errors in Ice Microphysics Parameterizations and their Effects on Simulated Regional Climate

The major characteristics of ice microphysics in Weather Research and Forecasting (WRF) Double-Moment 6-class (WDM6) bulk-type cloud microphysics originate from the diagnosed ice number concentration, which is a function of the cloud-ice mixing ratio. In this study, we correct numerical errors in ice microphysics processes of the WDM6, in which the cloud-ice shape is assumed as single bullets and examine the impact on regional climate simulations. Here, by rederiving the relationships between cloud microphysics characteristics, including the one linking the cloud-ice mixing ratio and number concentration, we remove numerical errors intrinsic to the description of cloud-ice characteristics in the original WDM6 microphysics scheme. The revised WDM6 is tested using a WRF framework for regional climate simulations over the East Asian region. We find that our correction to the WDM6 improves the model’s performance in capturing the observed distribution of the monsoon rain band. A reduction in cloud ice is significant in the revised WDM6, which strengthens the Western North Pacific High. By conducting the additional sensitivity experiment in which the characteristics of cloud-ice shape are revised as the one for the column type, our study also finds out that the impacts of the existing numerical errors on the simulated monsoon is as large as the ones of the changes in cloud-ice shape.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Advanced Power-Hardware-in-the-Loop Evaluation of Inverter-Based Resources (IBRs)

Power-hardware-in-the-loop evaluation of IBRs has become more and more important as it provides reliable testing results to investigate the real responses of inverters with interconnected systems. A successful laboratory PHIL testing gives confidence of the hardware system to be deployed and de-risk technology integration prior to field deployment. So far, there are two important applications for PHIL evaluation: (1) test stability and functionality of large utility inverters into the system when it interconnects to the distribution systems/microgrids; and (2) test the collective grid service that inverters can provide to the grid. For the first application, the PHIL evaluation has high requirements for the stability and accuracy of the PHIL interface as the close-loop in digital real time simulator (DRTS) should replicate the actual current and voltage dynamics in the inverter. This is challenging because of the delays, sensing errors, nonlinearities of inverters, and hardware bandwidth limitations of the elements in the HIL loop. For the second application, multiple inverters will be tested resulting in multiple PCCs, which naturally causes competing dynamics and oscillations among hardware inverters if traditional PHIL interface is used. Therefore, new PHIL interface should be developed to compromise between stability and accuracy and represent the dispatched grid services for the hardware inverters. In this presentation, we will share our latest work in developing PHIL interface in these two applications to address the two key challenges.

DERMS↗
DOE OSTI2023

Assessment of Flow-Enhanced Electrochemical Sensor Testing and Deployments for MSRs

This report serves as the deliverable for Milestone M3RS-23AN0401061 that is part of Work Package RS-23AN040106 (Flow Enhanced Sensors for MSRs – ANL). The goal of this milestone was to determine performance of the flow enhanced electrochemical sensor (FEES) and modular flow instrumentation testbed (MFIT) in safeguards relevant scenarios. Flow enhanced electrochemical sensors are a type of electroanalytical sensor that has been developed at Argonne National Laboratory to be installed directly into MSR flow conduits to make measurements of the salt composition. These sensors represent a significant improvement in capabilities compared to earlier electroanalytical sensors that instead can only be operated in quiescent conditions. Previous work has focused on testing of the FEES in flowing conditions provided by the MFIT to assess the accuracy and precision of the sensor measurements. To further improve this capability, in FY23 we undertook a campaign of safeguards relevant scenarios in molten salt containing a range of uranium chloride concentrations (0 to 3 wt%). All the testing carried out in FY23 was aided by a control system designed to automatically actuate flow conditions and collect data. This new automation system is estimated to have increased experimental throughput by a factor of four and enabled testing in a variety of complex conditions. The advancements in throughput and repeatability led to improved quantification of actinide concentrations using the in-flow sensors, with a reduction of the mean absolute relative error from 5.6% in FY22 to 3.1% in FY23. In addition to safeguards scenarios run in the MFIT, FY23 work included deployment of a FEES at a partner institution where it will be tested in a flowing salt loop. The FEES was successfully integrated into that loop and is being tested prior to loop startup. In FY23, work also continued on the smaller flow system that we have named the mini-MFIT. This smaller system is capable of rapid prototyping of new sensor designs prior to installation in the larger MFIT radiological flow system. Work was carried out to test this new system in non-radiological molten salts in a separate glovebox. This work is helping us to enhance the accuracy of our salt monitoring capabilities through the integration of multiple types of sensors. The high degree of accuracy required by 10 CFR 74 represents a significant challenge, and further design evolution and integration of the sensors into multimodal sensing frameworks will be needed to further push the measurement accuracy to the needed level.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery

The solvation free energy of organic molecules is a critical parameter in determining emergent properties such as solubility, liquid-phase equilibrium constants, and pKa and redox potentials in an organic redox flow battery. In this work, we present a machine learning (ML) model that can learn and predict the aqueous solvation free energy of an organic molecule using Gaussian process regression method based on a new molecular graph kernel. To investigate the performance of the ML model on electrostatic interaction, the nonpolar interaction contribution of solvent and the conformational entropy of solute in solvation free energy, three data sets with implicit or explicit water solvent models, and contribution of conformational entropy of solute are tested. We demonstrate that our ML model can predict the solvation free energy of molecules at chemical accuracy with a mean absolute error of less than 1 kcal/mol for subsets of the QM9 dataset and the Freesolv database. To solve the general data scarcity problem for a graph-based ML model, we propose a dimension reduction algorithm based on the distance between molecular graphs, which can be used to examine the diversity of the molecular data set. It provides a promising way to build a minimum training set to improve prediction for certain test sets where the space of molecular structures is predetermined.

25 ENERGY STORAGE↗
DOE OSTI2020

The Power Curve Working Group's assessment of wind turbine power performance prediction methods

Wind turbine power production deviates from the reference power curve in real-world atmospheric conditions. Correctly predicting turbine power performance requires models to be validated for a wide range of wind turbines using inflow in different locations. The Share-3 exercise is the most recent intelligence-sharing exercise of the Power Curve Working Group, which aims to advance the modeling of turbine performance. The goal of the exercise is to search for modeling methods that reduce error and uncertainty in power prediction when wind shear and turbulence digress from design conditions. Herein, we analyze data from 55 wind turbine power performance tests from nine contributing organizations with statistical tests to quantify the skills of the prediction-correction methods. We assess the accuracy and precision of four proposed trial methods against the baseline method, which uses the conventional definition of a power curve with wind speed and air density at hub height. The trial methods reduce power-production prediction errors compared to the baseline method at high wind speeds, which contribute heavily to power production; however, the trial methods fail to significantly reduce prediction uncertainty in most meteorological conditions. For the meteorological conditions when a wind turbine produces less than the power its reference power curve suggests, using power deviation matrices leads to more accurate power prediction. We also determine that for more than half of the submissions, the data set has a large influence on the effectiveness of a trial method. Overall, this work affirms the value of data-sharing efforts in advancing power curve modeling and establishes the groundwork for future collaborations.

17 WIND ENERGY↗
DOE OSTI2022

Predicting oxidation damage in ultra high-temperature borides: A machine learning approach

Ultra-high temperature (UHT) borides are ceramics materials with melting points above 3000 °C for structural applications in extreme environments. However, at temperatures exceeding 1600 °C and under oxidizing conditions, the material suffers from detrimental degradation. Optimized design and performance of diboride materials under such extreme conditions requires filling the missing composition-microstructure-oxidation gap. This study proposes a computational data-driven framework to connect the processing and microstructure of Ultra-high temperature borides with the oxidation damage. Random Forest Regressor (RFR) model is adopted to forecast the oxide scale thickness developed after oxidation testing based on processing variables and microstructural features. The model trained on a dataset consisting of 107 samples of experimental data extracted from the literature aims to predict oxidation damage. With proper data manipulation and fine model tuning, the predictor could forecast the oxide scale thickness of UHT diborides with a Mean Absolute Error of 37.45 μm and an R-square of 0.83. This model could be used as a high-throughput scheme to design and test new UHT diborides materials computationally. Furthermore, a model with larger composition capabilities could also be developed in the future as more experimental data become available.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Accuracy of predictions made by machine learned models for biocrude yields obtained from hydrothermal liquefaction of organic wastes

Hydrothermal liquefaction (HTL) has potential for converting abundant wet organic wastes into renewable fuels. Because HTL consists of a complex reaction network, deterministic, physics-based prediction of its biocrude yield is prohibitively difficult. Data-driven methods provide an alternative to the physics-based approach; however, rigorous testing must be performed to ensure the accuracy of predictions made by data-driven methods. To this end, a data set was assembled consisting of 570 data points appearing in the open literature. The data set was divided into training, validation, and test sub-sets and used for evaluating different machine learning regression approaches to predict biocrude yield. Among the tested algorithms, Random Forest and eXtreme Gradient Boosting (XGBoost) predicted biocrude yields in a test set that had not been used for training with the greatest accuracy, with root mean square errors (RMSE) of 8.34 and 8.57, respectively. Further refinement of the Random Forest model reduced its RMSE to 8.07. In comparison, predictions of a series of literature models resulted in RMSE ranging from 9.16 in the most accurate case to 27.6 in the least accurate; most literature models yielded RMSE values > 10. Using biocrude yield predictions from the most accurate Random Forest model and a probabilistic economic analysis found that the model accuracy is sufficient to prioritize allocation of resources based on projected minimum fuel selling price. In our report the models and analysis represent a major advance in the ability to use readily available data to predict biocrude yields on new feedstocks that have not previously been studied.

42 ENGINEERING↗
DOE OSTI2022

Operation-adversarial scenario generation

This paper proposes a modified conditional generative adversarial network (cGAN) model to generate net load scenarios for power systems that are statistically credible, conditioned by given labels (e.g., seasons), and, at the same time, “stressful” to the system operations and dispatch decisions. The measure of stress used in this paper is based on the operating cost increases due to net load changes. The proposed operation-adversarial cGAN (OA-cGAN) internalizes a DC optimal power flow model and seeks to maximize the operating cost and achieve a worst-case data generation. The training and testing stages employed in the proposed OA-cGAN use historical day-ahead net load forecast errors and has been implemented for the realistic NYISO 11-zone system. In conclusion, our numerical experiments demonstrate that the generated operation-adversarial forecast errors lead to more cost-effective and reliable dispatch decisions.

42 ENGINEERING↗
DOE OSTI2025

Direct sensitivity analysis on the parameterization of crystal plasticity models

Various methods for calibrating crystal plasticity finite element (CPFE) models lead to non-unique input parameter values, which subsequently introduce uncertainty in the predicted mechanical response. Sensitivity analysis (SA) conducted on crystal plasticity models is used to identify how variability in these parameters contribute to output uncertainty. Traditional SA on CPFE parameters uses simplified surrogate models to save computational time. However, the accuracy of the surrogate models depends on the quantity of training data used, and any modeling error can propagate into the SA results, potentially affecting their reliability. In this work, the elementary effects test (EET) method, a global SA technique using direct CPFE simulations was employed, and the results obtained were compared with the First Order Second Moment (FOSM) method. ExaConstit, an open-source GPU-enabled CPFE code, was used to perform the simulations and direct SA. The EET method was accurately able to capture the non-linear effects of all the input parameters on the output and is a valuable approach for reliably attributing parameter sensitivities in CPFE models. Based on the results, efficient strategies to perform future parameter calibration and SA are discussed. Additionally, the SA trends observed in different single crystal orientations closely mirrored the activity of the slip systems.

Elementary Effects Test↗