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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 127 records · Page 7

Evaluation of WSR-88D Level III and MRMS Rainfall Estimates Against Rain Gauge Observations at the Savannah River Site

Rainfall data for the Savannah River Site (SRS) has been historically measured by rain gauges. These instruments serve as ground truth for most climatological and weather applications; however, gauge measurements are prone to errors or biases under certain weather conditions. Rainfall estimates from radar reflectivity values have been developed and improved over the years and serve as an alternative or supplement for gauge measurements. This study compares measurements from tipping bucket rain gauges with rainfall estimates from the NOAA NWS WSR-88D Level III hourly rainfall product and the Multi-Radar Multi-Sensor (MRMS) gauge-corrected precipitation estimate. Results show good agreement between radar derived amounts and ground measurements, with MRMS values showing correlation coefficients of 0.60-0.95 and RMSE values of less than 1.0 cm (0.4 in). The WSR-88D Level III estimates result in correlation coefficients of 0.46-0.86 and RMSE values of less than 1.3 cm (0.5 in). Few outliers are observed for each data pair and are evaluated against precipitation classification products (WSR-88D Hybrid Hydrometeor Classification product and MRMS Precipitation Flag product). The rain gauges used in this study are not part of the Hydrometeorological Automated Data System (HADS) network used to correct the MRMS estimates and therefore, results of this work provide an independent validation of the MRMS gauge correction scheme.

54 ENVIRONMENTAL SCIENCES↗

User Guide for Sample Reduction at GP-SANS

This manual is intended as a quick guide for data reduction of GP-SANS data. It includes all necessary steps to do the data reduction based on absolute calibration using the open beam method and how to transfer the reduced data to the personal computer system. If any errors are coming up so that the reduction script is not functioning as intended, please contact the instrument scientist.

97 MATHEMATICS AND COMPUTING↗

Binary pseudorandom array test standard optimized for characterization of large field-of-view optical interferometers

Recently, a technique for calibrating the modulation transfer function (MTF) of a broad variety of metrology instrumentation has been demonstrated. This technique is based on test samples structured as one-dimensional binary pseudo-random (BPR) sequences and two-dimensional BPR arrays (BPRAs). The inherent power spectral density of BPR gratings (sequences) and arrays has a deterministic white-noise-like character that allows direct determination of the MTF with uniform sensitivity over the entire spatial frequency range and field-of-view of an instrument. As such, the BPR samples satisfy the characteristics of a test standard: functionality, ease of specification and fabrication, reproducibility, and low sensitivity to manufacturing error. Here we discuss our recent developments directed to the optimization of the sample design, fabrication, application, and data processing procedures, suitable for thorough characterization of large aperture optical interferometers. Compared with the previous coded-aperture based design, the improved, 'highly randomized' BPRA pattern of the new test standard provides better accuracy and reliability of instrument MTF and aberration characterization, and enables operation optimization of large aperture optical interferometers. We describe the pattern generation algorithm and tests to verify the compliance to desired BPRA topography. The data acquisition and analysis procedures for different applications of the technique are also discussed.

Yashchuk, Valeriy V.↗

Precision measurements of EFT parameters and BAO peak shifts for the Lyman- α forest

We present precision measurements of the bias parameters of the one-loop power spectrum model of the Lyman- α (Ly- α ) forest, derived within the effective field theory (EFT) of large-scale structure. We fit our model to the three-dimensional flux power spectrum measured from the ACCEL 2 hydrodynamic simulations. The EFT model fits the data with an accuracy of below 2% up to k = 2 h Mpc − 1 . Further, we analytically derive how nonlinearities in the three-dimensional clustering of the Ly- α forest introduce biases in measurements of the baryon acoustic oscillations (BAOs) scaling parameters in radial and transverse directions. From our EFT parameter measurements, we obtain a theoretical error budget of Δ α ∥ = − 0.2 % ( Δ α ⊥ = − 0.3 % ) for the radial (transverse) parameters at redshift z = 2.0 . This corresponds to a shift of − 0.3 % (0.1%) for the isotropic (anisotropic) distance measurements. We provide an estimate for the shift of the BAO peak for Ly- α -quasar cross-correlation measurements assuming analytical and simulation-based scaling relations for the nonlinear quasar bias parameters resulting in a shift of − 0.2 % ( − 0.1 % ) for the radial (transverse) dilation parameters, respectively. This analysis emphasizes the robustness of Ly- α forest BAO measurements to the theory modeling. We provide informative priors and an error budget for measuring the BAO feature—a key science driver of the currently observing Dark Energy Spectroscopic Instrument (DESI). Our work paves the way for full-shape cosmological analyses of Ly- α forest data from DESI and upcoming surveys such as the Prime Focus Spectrograph, WEAVE-QSO, and 4MOST. Published by the American Physical Society 2025

de Belsunce, Roger (ORCID:0000000336604028)↗

Digital Engineering and Cybersecurity Decision Analysis in Early Phases of SMR-Driven IES Projects

Considerable efforts are underway to ensure cybersecurity is integrated into the systems engineering lifecycle. Cyber-informed engineering and security-by-design frameworks are intended to identify and engineer out cybersecurity risks throughout the lifecycle. While these approaches are valuable for promoting the need to include cybersecurity considerations in early design phases to create more secure systems, they may not consider the entirety of digital risks. Digital risks in a digital instrumentation and control system include adversarial and unintentional risks from internal and external factors, such as human performance errors, design flaws, environmental conditions, and equipment degradation or failure. This report provides a detailed discussion on digital risk prior to describing the background and concept of operations for a small modular reactor-driven integrated energy system connected to industrial applications. The challenges of competing objectives and competing stakeholder requirements are discussed and the impacts on digital engineering, security considerations, and interdependencies are evaluated for mission-level, facility-level, and system-level decisions.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

The role of AI in detecting and mitigating human errors in safety-critical industries: A review

For safety-critical industries, human error (HE) presents continual risks to system productivity, reliability and safety. Artificial intelligence (AI) and machine learning (ML) methods have emerged as promising approaches to understand, categorize and mitigate the risk of HE in safety-critical industries. Furthermore, this review offers an examination of the current landscape regarding the utilization of AI/ML with regards to HE in safety-critical industries, categorizing literature into descriptive modeling, predictive modeling, prescriptive modeling, and generative modeling techniques. Additionally, the review aims to provide insights regarding themes in literature, challenges, and future research directions. Findings of the review suggest that AI/ML methods can prove useful in addressing the HE problem across safety-critical industries.

42 ENGINEERING↗

Improving Dark Energy Constraints Using Low-Redshift Large-Scale Structures

The primary goal of this project was to improve constraints on dark energy measurements by improving our ability to extract cosmological information from low redshift large-scale structures. PI Clowe's project's primary aim was to reduce the bias in measurements of the masses of clusters of galaxies to a level where the evolution of the cluster mass function can be used in the Vera Rubin Observatory's Legacy Survey of Space and Time Dark Energy Science Collaboration survey to improve the accuracy of the measurement of dark energy and other cosmological parameters. Co-PI Seo's project studied observational systematics affecting large-scale clustering of galaxies, which will be used to improve dark energy constraints from the Dark Energy Spectroscopic Instrument (DESI). The cluster lensing project employed a series of simulations and observations of clusters of galaxies to test numerous potential systematic errors in cluster mass measurements using weak gravitational lensing as the accuracy of current weak lensing measurements are more than order of magnitude worse than what is required to use clusters of galaxies for accurate determination of dark energy parameters. PI Clowe and group developed and analyzed simulations to test for, and correct biases introduced in, the weak lensing measurement process. Finally, PI Clowe and group developed a method of detecting clusters using galaxy overdensities and applied the method to the BLISS and DES surveys. The success of spectroscopic dark energy mission such as the extended Baryon Oscillation Spectroscopic Survey (eBOSS) and the Dark Energy Spectroscopic Instrument (DESI) will depend on a thorough understanding of various observational systematics in the target density fluctuations that would give rise to spurious, non-cosmological signals. PI Seo and group developed a deep learning, artificial neural network (ANN) technique that modeled and mitigated such effects, aimed at deriving more robust galaxy clustering signals not only for the baryon acoustic oscillation feature and redshift-space distortions but also for primordial non-Gaussianity constraint.

79 ASTRONOMY AND ASTROPHYSICS↗

A multi-scale cognitive interaction model of instrument operations at the Linac Coherent Light Source

The Linac Coherent Light Source (LCLS) is the world’s first x-ray free electron laser. It is a scientific user facility operated by the SLAC National Accelerator Laboratory, at Stanford, for the U.S. Department of Energy. As beam time at LCLS is extremely valuable and limited, experimental efficiency—getting the most high quality data in the least time—is critical. Our overall project employs cognitive engineering methodologies with the goal of improving experimental efficiency and increasing scientific productivity at LCLS by refining experimental interfaces and workflows, simplifying tasks, reducing errors, and improving operator safety and stress. Here, in this study, we describe a multi-agent, multi-scale computational cognitive interaction model of instrument operations at LCLS. Our model simulates the aspects of human cognition at multiple cognitive and temporal scales, ranging from seconds to hours, and among agents playing multiple roles, including instrument operator, real time data analyst, and experiment manager. The model can roughly predict impacts stemming from proposed changes to operational interfaces and workflows. Example results demonstrate the model’s potential in guiding modifications to improve operational efficiency. We discuss the implications of our effort for cognitive engineering in complex experimental settings and outline future directions for research. The model is open source, and the videos of the supplementary material provide extensive detail.

47 OTHER INSTRUMENTATION↗

Quantitative assessment of fitting errors associated with streak camera noise in Thomson scattering data analysis

Thomson scattering measurements in high energy density experiments are often recorded using optical streak cameras. In the low-signal regime, noise introduced by the streak camera can become an important and sometimes the dominant source of measurement uncertainty. In this paper, we present a formal method of accounting for the presence of streak camera noise in our measurements. We present a phenomenological description of the noise generation mechanisms and present a statistical model that may be used to construct the covariance matrix associated with a given measurement. This model is benchmarked against simulations of streak camera images. We demonstrate how this covariance may then be used to weight fitting of the data and provide quantitative assessments of the uncertainty in the fitting parameters determined by the best fit to the data and build confidence in the ability to make statistically significant measurements in the low-signal regime, where spatial correlations in the noise become apparent. These methods will have general applicability to other measurements made using optical streak cameras.

47 OTHER INSTRUMENTATION↗

Thermochemical Property Measurements of FLiNaK and FLiBe in FY 2020

The technical bases and methods developed at Argonne to measure thermochemical properties of molten salt mixtures are summarized and results provided to show the precision achieved. These methods include measurements of phase transition temperatures and heat capacity at temperatures to approximately 700 °C for eutectic mixture of 46.5-11.5-42.0 mol% LiF-NaF-KF (FLiNAK) and 67-33 mol% LiF-BeF 2 (FLiBe). Details of procedures, calibrations and operation of instruments are discussed and results are compared with values available in the literature. Additional discussions address the sources of error and estimated uncertainties in the reported values.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Thermochemical Property Measurements of FLiNaK and FLiBe in FY 2020

The technical bases and methods developed at Argonne to measure thermochemical properties of molten salt mixtures are summarized and results provided to show the precision achieved. These methods include measurements of phase transition temperatures and heat capacity at temperatures to approximately 700°C for eutectic mixture of 46.5-11.5-42.0 mol% LiF-NaF-KF (FLiNaK) and 67-33 mol% LiF-BeF 2 (FLiBe). Details of procedures, calibrations and operation of instruments are discussed, and results are compared with values available in the literature. Additional discussions address the sources of error and estimated uncertainties in the reported values.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Novel estimation of aerosol processes with particle size distribution measurements: a case study with the TOMAS algorithm v1.0.0

Atmospheric aerosol microphysical processes are a significant source of uncertainty in predicting climate change. Specifically, aerosol nucleation, emissions, and growth rates, which are simulated in chemical transport models to predict the particle size distribution, are not understood well. However, long-term size distribution measurements made at several ground-based sites across Europe implicitly contain information about the processes that created those size distributions. This work aims to extract that information by developing and applying an inverse technique to constrain aerosol emissions as well as nucleation and growth rates based on hourly size distribution measurements. We developed an inverse method based upon process control theory into an online estimation technique to scale aerosol nucleation, emissions, and growth so that the model–measurement bias in three measured aerosol properties exponentially decays. The properties, which are calculated from the measured and predicted size distributions, used to constrain aerosol nucleation, emission, and growth rates are the number of particles with a diameter between 3 and 6 nm, the number with a diameter greater than 10 nm, and the total dry volume of aerosol ( N 3–6 , N 10 , V dry ), respectively. In this paper, we focus on developing and applying the estimation methodology in a zero-dimensional “box” model as a proof of concept before applying it to a three-dimensional simulation in subsequent work. The methodology is first tested on a dataset of synthetic and perfect measurements that span diverse environments in which the true particle emissions, growth, and nucleation rates are known. The inverse technique accurately estimates the aerosol microphysical process rates with an average and maximum error of 2 % and 13 %, respectively. Next, we investigate the effect that measurement noise has on the estimated rates. The method is robust to typical instrument noise in the aerosol properties as there is a negligible increase in the bias of the estimated process rates. Finally, the methodology is applied to long-term datasets of in situ size distribution measurements in western Europe from May 2006 through June 2007. At Melpitz, Germany, and Hyytiälä, Finland, the average diurnal profiles of estimated 3 nm particle formation rates are reasonable, having peaks near noon local time with average peak values of 1 and 0.15 cm –3 s –1 , respectively. The normalized absolute error in estimated N 3–6 , N 10 , and V dry at three European measurement sites is less than 15 %, showing that the estimation framework developed here has potential to decrease model–measurement bias while constraining uncertain aerosol microphysical processes.

54 ENVIRONMENTAL SCIENCES↗

Microwave radiometer, sun-photometer and GNSS multi-comparison of integrated water vapor in Southwestern Europe

This work presents a comparison of integrated water vapor (IWV) data recorded from microwave radiometer (MWR) and sun-photometer (SP) using global navigation satellite system (GNSS) IWV as reference in five mid-latitude sites of Portugal and Spain (2003–2021). A very high correlation is obtained for both instruments (R2 between 0.94 and 0.98), although, while MWR shows a wet bias, SP exhibits a dry one. In addition, a dependence of mean bias error (MBE) and standard deviation (SD) on IWV has been observed, increasing (larger discrepancies) both indices as IWV increases. The solar zenith angle (SZA) dependence is also studied, finding slightly larger discrepancies for the MWR than for SP in comparison with GNSS for very high values of SZA. Finally, a marked seasonal dependence is observed for SP-GNSS differences, modulated by the IWV dependence explained above. In contrast, the seasonal dependence for MWR is quite weaker than it is for SP. Therefore, in spite of the excellent agreement found among the different instruments, it is recommended that: i) the dependence with IWV be studied and corrected to further increase the performance of the instruments, and ii) metadata be used to filter out situations in which the instrument cannot operate properly.

54 ENVIRONMENTAL SCIENCES↗

Toward Quantity-of-Interest Preserving Lossy Compression for Scientific Data

Today's scientific simulations and instruments are producing a large amount of data, leading to difficulties in storing, transmitting, and analyzing these data. While error-controlled lossy compressors are effective in significantly reducing data volumes and efficiently developing databases for multiple scientific applications, they mainly support error controls on raw data, which leaves a significant gap between the data and user's downstream analysis. This may cause unqualified uncertainties in the outcomes of the analysis, a.k.a quantities of interest (QoIs), which are the major concerns of users in adopting lossy compression in practice. In this paper, we propose rigorous mathematical theories to preserve four families of QoIs that are widely used in scientific analysis during lossy compression along with practical implementations. Specifically, we first develop the error control theory for univariate QoIs which are essential for computing physical properties such as kinetic energy, followed by multivariate QoIs that are more commonly used in real-world applications. The proposed method is integrated into a state-of-the-art compression framework in a modular fashion, which could easily adapt to new QoIs and new compression algorithms. Experiments on real-world datasets demonstrate that the proposed method provides faithful error control on important QoIs including kinetic energy, regional average, and isosurface without trials and errors, while offering compression ratios that are up to 4x of the compression ratios provided by state-of-the-art compressors.

Jiao, Pu↗

ISOCS-based Extended In Situ Gamma Spectrometry Services Tool SuperISOCS for Waste Measurements - 20275

Canberra's In Situ Object Counting System (ISOCS) is an established tool used for gamma spectrometry. It allows physical representation of complex geometries and mathematical calculation of the calibration function while avoiding the need for radioisotope standards. ISOCS provides a large range of templates to generate the geometry for most nuclear waste components in nuclear facilities. Nonetheless, there are some complex geometries where the accuracy attainable is limited by the conventional ISOCS templates. An ISOCS-based extended in-situ Gamma Spectrometry service tool has been developed, based on the so-called SuperISOCS (SISOCS) software. This tool was developed to generate the most complex geometries. The principle of geometry construction is based on the composition of 8 different primitive geometries. The primitive object is able to be cut and to change a part of an object. An object is able to overlap to another one to form a more complex object. These functions refine the modelled geometry compared to the real objects and decrease the measurement systematic error because they allow the mathematical model to represent the real-life geometry more faithfully through reducing the approximations and simplifications that need to be made The algorithm of SISOCS is the same as that of standard ISOCS. A set of calculations was done in comparison with MCNP efficiency calculation and SISOCS results. 80 different models were compared between SISOCS and MCNP, with added 30 cases compared between ISOCS and SISOCS. The average differences were less than 2%, for all energy's efficiency calculations. In this paper we illustrate the benefits that this new tool can provide, in terms of improved accuracy for complex realistic geometries, through simulation of some example scenarios. Furthermore, we demonstrate, through SISOCS modelling of the real object data test, the comparison between SISOCS to ISOCS calculations for the same geometry. This paper describes the added functions that are easily employed using SISOCS. Our results show the potential application and benefit of this technique for real waste assay projects and the way to integrate the tool into the waste assay systems. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Natural Abundance Isotope Ratio Measurements of Organic Molecules Using 21 T FTICR MS

Subtle variations in stable isotope ratios at natural abundance are challenging to measure but can yield critical insights into biological, physical, and geochemical processes. Well established methods, particularly multi-collector, gas-source or plasma isotope ratio mass spectrometry (IRMS) are the gold standard for stable isotope measurement but inherent limitations in these approaches make them ill-suited to determining site-specific and multiply substituted isotopic abundances of all but a few compounds, or to characterizing mixtures or larger intact molecules. Additionally, Fourier transform mass spectrometry (FTMS), namely Orbitrap mass spectrometry, has recently demonstrated the ability to measure natural abundance isotope ratios with chemically informative accuracy and precision. Here, we report the first use of Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) for the accurate (<1‰) and precise (<1‰ standard error) simultaneous determination of $δ$ 13 C and $δ$ 15 N in caffeine isotopologues and provide a discussion of the critical instrumental parameters necessary to make such measurements. Finally, we report the ability to make these measurements with online liquid chromatography, expanding the ability of this technique to explore mixtures in the future.

07 ISOTOPE AND RADIATION SOURCES↗

Predicting ptychography probe positions using single-shot phase retrieval neural network

Ptychography is a powerful imaging technique that is used in a variety of fields, including materials science, biology, and nanotechnology. However, the accuracy of the reconstructed ptychography image is highly dependent on the accuracy of the recorded probe positions which often contain errors. These errors are typically corrected jointly with phase retrieval through numerical optimization approaches. When the error accumulates along the scan path or when the error magnitude is large, these approaches may not converge with satisfactory result. We propose a fundamentally new approach for ptychography probe position prediction for data with large position errors, where a neural network is used to make single-shot phase retrieval on individual diffraction patterns, yielding the object image at each scan point. The pairwise offsets among these images are then found using a robust image registration method, and the results are combined to yield the complete scan path by constructing and solving a linear equation. We show that our method can achieve good position prediction accuracy for data with large and accumulating errors on the order of 10 2 pixels, a magnitude that often makes optimization-based algorithms fail to converge. For ptychography instruments without sophisticated position control equipment such as interferometers, our method is of significant practical potential.

47 OTHER INSTRUMENTATION↗