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DOE OSTI2025

Evaluating Economic Impact: An Investment Tool for Large Language Model Integration in Workweek Management

This paper explores the development and application of an investment tool designed to quantify the costs and potential savings associated with integrating large language models (LLMs) into work week management optimization (WMO) within the nuclear industry. LLMs, with their advanced natural language processing capabilities, can significantly enhance various aspects of work management, such as problem identification, prioritization, planning, scheduling, information retrieval, and information summary. Our investment tool focuses on evaluating the return on investment (ROI) for LLM applications in WMO by considering four pivotal decision factors: model selection, application, user training, and hosting options. This paper details the development and implementation of the ROI model and illustrates its application through multiple case studies, analyzing the impact of different variables, such as work time saved, number of requests, and model performance, on the computed ROI over two years. The computed ROI is also compared over different hosting solutions. Our findings indicate that ROI increases with enhanced work time savings and optimal request load but can decline with high request volumes or increased model costs. This model aids decision-makers in the nuclear industry by providing a structured approach to assessing the economic viability and potential savings from integrating LLMs into WMO processes.

97 - MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Evaluating Economic Impact: An Investment Tool for Large Language Model Integration in Workweek Management

99 - GENERAL AND MISCELLANEOUS↗

DOE OSTI2026

Trigonometric continuous-variable gates and hybrid quantum simulations of the sine-Gordon model

Hybrid qubit-qumode quantum computing platforms provide a natural setting for simulating interacting bosonic quantum field theories. However, existing continuous-variable gate constructions rely predominantly on polynomial functions of canonical quadratures. In this work, we introduce a complementary universality paradigm based on trigonometric continuous-variable gates, which enable a Fourier-like representation of bosonic operators and are particularly well suited for periodic and non-perturbative interactions. We present an ancilla-based framework for implementing trigonometric gates with arguments given by arbitrary Hermitian functions of qumode quadratures. The protocol yields unitary gates deterministically, and non-unitary gates through probabilistic post-selection. As a concrete application, we develop a hybrid qubit-qumode quantum simulation of the lattice sine-Gordon model. Using these gates, we prepare ground states via quantum imaginary-time evolution, simulate real-time dynamics, compute time-dependent vertex two-point correlation functions, and extract quantum kink profiles under topological boundary conditions. Our results demonstrate that trigonometric continuous-variable gates provide a physically natural framework for simulating interacting field theories on near-term hybrid quantum hardware, while establishing a parallel route to universality beyond polynomial gate constructions. We expect that the trigonometric gates introduced here to find broader applications, including quantum simulations of condensed matter systems, quantum chemistry, and biological models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Empirical radius formulas for canonical neutron stars from bidirectionally selecting features of equations of state in extended Bayesian analyses of observational data

Significant advancement in Bayesian inference of nuclear equation of state (EOS) from gravitational wave and x-ray observations of neutron stars (NSs) has been made by the nuclear astrophysics community especially since GW170817. By extending the traditional Bayesian analysis which normally ends at presenting the marginalized posterior probability distribution functions (PDFs) of individual EOS parameters and their correlations (or sometimes only the Pearson correlation coefficients which are only reliably useful when the variables are linearly correlated while they are actually often not), we search for a data-driven and robust empirical formula for the radius 𝑅 1.4 of canonical NSs in terms of the characteristic EOS parameters (features). We also identify the single most important but currently poorly known EOS parameter for determining the 𝑅 1.4 . Using three regression-model-building methodologies: bidirectional stepwise feature selection, least absolute shrinkage selection operator (LASSO) regression, and neural network regression on a large set of posterior EOSs and the corresponding 𝑅 1.4 values inferred from earlier comprehensive Bayesian analyses of NS observational data, we systematically and rigorously develop the most probable 𝑅 1.4 formulas with varying statistical accuracy and technical complexity. Here, the most important EOS parameters for determining 𝑅 1.4 are found consistently in each of the feature selection processes to be (in order of decreasing importance): curvature 𝐾 sym , slope 𝐿, skewness 𝐽 sym of nuclear symmetry energy, skewness 𝐽 0 , incompressibility 𝐾 0 of symmetric nuclear matter, and the magnitude 𝐸 sym ⁡(𝜌 0 ) of symmetry energy at the saturation density 𝜌 0 of nuclear matter.

Bayesian methods↗

NASA NTRS2003

Satellite Ocean-Color Validation Using Ships of Opportunity

The investigation s main objective is to collect from platforms of opportunity (merchant ships, research vessels) concomitant normalized water-leaving radiance and aerosol optical thickness data over the world s oceans. A global, long-term data set of these variables is needed to verify whether satellite retrievals of normalized water-leaving radiance are within acceptable error limits and, eventually, to adjust atmospheric correction schemes. To achieve this objective, volunteer officers, technicians, and scientists onboard the selected ships collect data from portable SIMBAD and Advanced SIMBAD (SIMBADA) radiometers. These instruments are specifically designed for evaluation of satellite-derived ocean color. They measure radiance in spectral bands typical of ocean-color sensors. The SIMBAD version measures in 5 spectral bands centered at 443, 490, 560, 670, and 870 nm, and the Advanced SIMBAD version in 11 spectral bands centered at 350, 380, 412, 443, 490, 510, 565, 620, 670, 750, and 870 nm. Aerosol optical thickness is obtained by viewing the sun disk like a classic sun photometer. Normalized water-leaving radiance, or marine reflectance, is obtained by viewing the ocean surface through a vertical polarizer in a specific geometry (nadir angle of 45o and relative azimuth angle of 135deg) to minimize direct sun glint and reflected sky radiation. The SIMBAD and SIMBADA data, after proper quality control and processing, are delivered to the SIMBIOS project office for inclusion in the SeaBASS archive. They complement data collected in a similar way by the Laboratoire d'Optique Atmospherique of the University of Lille, France. The SIMBAD and SIMBADA data are used to check the radiometric calibration of satellite ocean-color sensors after launch and to evaluate derived ocean-color variables (i.e., normalized water-leaving radiance, aerosol optical thickness, and aerosol type). Analysis of the SIMBAD and SIMBADA data provides information on the accuracy of satellite retrievals of normalized water-leaving radiance, an understanding of the discrepancies between satellite and in situ data, and algorithms that reduce the discrepancies, contributing to more accurate and consistent global ocean color data sets.

Frouin, Robert↗

DOE OSTI2023

Distinct Depth-Discrete Profiles of Microbial Communities and Geochemical Insights in the Subsurface Critical Zone

Microbial assembly and metabolic potential in the subsurface critical zone (SCZ) are substantially impacted by subsurface geochemistry and hydrogeology, selecting for microbes distinct from those in surficial soils. In this study, we integrated metagenomics and geochemistry to elucidate how microbial composition and metabolic potential are shaped and impacted by vertical variations in geochemistry and hydrogeology in terrestrial subsurface sediment. A sediment core from an uncontaminated, pristine well at Oak Ridge Field Research Center in Oak Ridge, Tennessee, including the shallow subsurface, vadose zone, capillary fringe, and saturated zone, was used in this study. Our results showed that subsurface microbes were highly localized and that communities were rarely interconnected. Microbial community composition as well as metabolic potential in carbon and nitrogen cycling varied even over short vertical distances. Further analyses indicated a strong depth-related covariation of community composition with a subset of 12 environmental variables. An analysis of dissolved organic carbon (DOC) quality via ultrahigh resolution mass spectrometry suggested that the SCZ was generally a low-carbon environment, with the relative portion of labile DOC decreasing and that of recalcitrant DOC increasing along the depth, selecting microbes from copiotrophs to oligotrophs and also impacting the microbial metabolic potential in the carbon cycle. Our study demonstrates that sediment geochemistry and hydrogeology are vital in the selection of distinct microbial populations and metabolism in the SCZ.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2008

Generating Vegetation Leaf Area Index Earth System Data Record from Multiple Sensors: Implementation, Analysis and Validation - Part 2

The evaluation of a new global monthly leaf area index (LAI) data set for the period July 1981 to December 2006 derived from AVHRR Normalized Difference Vegetation Index (NDVI) data is described. The physically based algorithm is detailed in the first of the two part series. Here, the implementation, production and evaluation of the data set are described. The data set is evaluated both by direct comparisons to ground data and indirectly through inter-comparisons with similar data sets. This indirect validation showed satisfactory agreement with existing LAI products, importantly MODIS, at a range of spatial scales, and significant correlations with key climate variables in areas where temperature and precipitation limit plant growth. The data set successfully reproduced well-documented spatio-temporal trends and inter-annual variations in vegetation activity in the northern latitudes and semi-arid tropics. Comparison with plot scale field measurements over homogeneous vegetation patches indicated a 7% underestimation when all major vegetation types are taken into account. The error in mean values obtained from distributions of AVHRR LAI and high-resolution field LAI maps for different biomes is within 0.5 LAI for six out of the ten selected sites. These validation exercises though limited by the amount of field data, and thus less than comprehensive, indicated satisfactory agreement between the LAI product and field measurements. Overall, the intercomparison with short-term LAI data sets, evaluation of long term trends with known variations in climate variables, and validation with field measurements together build confidence in the utility of this new 26 year LAI record for long term vegetation monitoring and modeling studies.

Ganguly, Sangram↗

DOE OSTI2018

Infant transmitted/founder HIV-1 viruses from peripartum transmission are neutralization resistant to paired maternal plasma

Despite extensive genetic diversity of HIV-1 in chronic infection, a single or few maternal virus variants become the founders of an infant’s infection. These transmitted/founder (T/F) variants are of particular interest, as a maternal or infant HIV vaccine should raise envelope (Env) specific IgG responses capable of blocking this group of viruses. However, the maternal or infant factors that contribute to selection of infant T/F viruses are not well understood. In this study, we amplified HIV-1 env genes by single genome amplification from 16 motherinfant transmitting pairs from the U.S. pre-antiretroviral era Women Infant Transmission Study (WITS). Infant T/F and representative maternal non-transmitted Env variants from plasma were identified and used to generate pseudoviruses for paired maternal plasma neutralization sensitivity analysis. Eighteen out of 21 (85%) infant T/F Env pseudoviruses were neutralization resistant to paired maternal plasma. Yet, all infant T/F viruses were neutralization sensitive to a panel of HIV-1 broadly neutralizing antibodies and variably sensitive to heterologous plasma neutralizing antibodies. Also, these infant T/F pseudoviruses were overall more neutralization resistant to paired maternal plasma in comparison to pseudoviruses from maternal non-transmitted variants (p = 0.012). Altogether, our findings suggest that autologous neutralization of circulating viruses by maternal plasma antibodies select for neutralization-resistant viruses that initiate peripartum transmission, raising the speculation that enhancement of this response at the end of pregnancy could further reduce infant HIV1 infection risk.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Evaluation of Global Climate Models for Use in Energy Analysis

The interplay between energy, climate, and weather is becoming more complex due to increasing contributions of renewable energy generation, energy storage, electrified end uses, and the increasing frequency of extreme weather events. Energy system analyses commonly rely on meteorological inputs to estimate renewable energy generation and energy demand; however, these inputs rarely represent the estimated impacts of future climate change. Climate models and publicly available climate change datasets can be used for this purpose, but the selection of inputs from the myriad of available models and datasets is a nuanced and subjective process. In this work, we assess datasets from various global climate models (GCMs) from the Coupled Model Intercomparison Project Phase 6 (CMIP6). We present evaluations of their skills with respect to the historical climate and comparisons of their future projections of climate change for two climate change scenarios. We present the results for different climatic and energy system regions and include interactive figures in the accompanying software repository. Previous work has presented similar GCM evaluations, but none have presented variables and metrics specifically intended for comprehensive energy systems analysis including impacts on energy demand, thermal cooling, hydropower, water availability, solar energy generation, and wind energy generation. We focus on GCM output meteorological variables that directly affect these energy system components including the representation of extreme values that can drive grid resilience events. The objective of this work is not to recommend the best climate model and dataset for a given analysis, but instead to provide a reference to facilitate the selection of climate models and scenarios in subsequent work.

14 SOLAR ENERGY↗

DOE OSTI2022

How Does Flow Alteration Propagate Across a Large, Highly Regulated Basin? Dam Attributes, Network Context, and Implications for Biodiversity

Abstract Large dams are a leading cause of river ecosystem degradation. Although dams have cumulative effects as water flows downstream in a river network, most flow alteration research has focused on local impacts of single dams. Here we examined the highly regulated Colorado River Basin (CRB) to understand how flow alteration propagates in river networks, as influenced by the location and characteristics of dams as well as the structure of the river network—including the presence of tributaries. We used a spatial Markov network model informed by 117 upstream‐downstream pairs of monthly flow series (2003–2017) to estimate flow alteration from 84 intermediate‐to‐large dams representing >83% of the total storage in the CRB. Using Least Absolute Shrinkage and Selection Operator regression, we then investigated how flow alteration was influenced by local dam properties (e.g., purpose, storage capacity) and network‐level attributes (e.g., position, upstream cumulative storage). Flow alteration was highly variable across the network, but tended to accumulate downstream and remained high in the main stem. Dam impacts were explained by network‐level attributes (63%) more than by local dam properties (37%), underscoring the need to consider network context when assessing dam impacts. High‐impact dams were often located in sub‐watersheds with high levels of native fish biodiversity, fish imperilment, or species requiring seasonal flows that are no longer present. These three biodiversity dimensions, as well as the amount of dam‐free downstream habitat, indicate potential to restore river ecosystems via controlled flow releases. Our methods are transferrable and could guide screening for dam reoperation in other highly regulated basins.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Molecular mechanisms underlying host-induced gene silencing

Abstract Host-induced gene silencing (HIGS) refers to the silencing of genes in pathogens and pests by expressing homologous double-stranded RNAs (dsRNA) or artificial microRNAs (amiRNAs) in the host plant. The discovery of such trans-kingdom RNA silencing has enabled the development of RNA interference-based approaches for controlling diverse crop pathogens and pests. Although HIGS is a promising strategy, the mechanisms by which these regulatory RNAs translocate from plants to pathogens, and how they induce gene silencing in pathogens, are poorly understood. This lack of understanding has led to large variability in the efficacy of various HIGS treatments. This variability is likely due to multiple factors, such as the ability of the target pathogen or pest to take up and/or process RNA from the host, the specific genes and target sequences selected in the pathogen or pest for silencing, and where, when, and how the dsRNAs or amiRNAs are produced and translocated. In this review, we summarize what is currently known about the molecular mechanisms underlying HIGS, identify key unanswered questions, and explore strategies for improving the efficacy and reproducibility of HIGS treatments in the control of crop diseases.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Catalyst Ammonia Storage Measurements Using Radio Frequency Sensing1

Motivated by increasingly strict nitrogen oxides (NOx) limits, engine manufacturers have adopted selective catalytic reduction (SCR) technology to reduce engine-out NOx. In the SCR process, NOx react with ammonia (NH3) to form nitrogen and water vapor. The reaction is influenced by several variables, including stored ammonia on the catalyst, exhaust gas composition, and catalyst temperature. Currently, measurements from NOx and/or NH3 sensors upstream and downstream of the SCR are used with predictive models to estimate ammonia storage levels on the catalyst and control urea dosing. This study investigated a radio frequency (RF)-based method to directly monitor the ammonia storage state of the SCR. This approach utilizes the catalyst as a cavity resonator, in which an RF antenna excites electromagnetic waves within the cavity to monitor changes in the catalyst state. Ammonia storage causes changes in the dielectric properties of the catalyst, which directly impacts the RF signal. Changes in the RF signal relative to stored ammonia (NH3) were evaluated over a wide range of frequencies, temperatures, and exhaust conditions. The RF response to NH3 storage, desorption, and oxidation on the SCR was well correlated with changes in the catalyst state. Calibrated RF measurements demonstrate the ability to monitor the adsorption state of the SCR to within 10% of the sensor full scale. The results indicate direct measurement of SCR ammonia storage levels, and resulting catalyst feedback control, via RF sensing to have significant potential for optimizing the SCR system to improve NOx conversion and decrease urea consumption.

Engineering↗

DOE OSTI2024

Matilda v1.0: An R package for probabilistic climate projections using a reduced complexity climate model

A primary advantage to using reduced complexity climate models (RCMs) has been their ability to quickly conduct probabilistic climate projections, a key component of uncertainty quantification in many impact studies and multisector systems. Providing frameworks for such analyses has been a target of several RCMs used in studies of the future co-evolution of the human and Earth systems. In this paper, we present Matilda, an open-science R software package that facilitates probabilistic climate projection analysis, implemented here using the Hector simple climate model in a seamless and easily applied framework. The primary goal of Matilda is to provide the user with a turn-key method to build parameter sets from literature-based prior distributions, run Hector iteratively to produce perturbed parameter ensembles (PPEs), weight ensembles for realism against observed historical climate data, and compute probabilistic projections for different climate variables. This workflow gives the user the ability to explore viable parameter space and propagate uncertainty to model ensembles with just a few lines of code. The package provides significant freedom to select different scoring criteria and algorithms to weight ensemble members, as well as the flexibility to implement custom criteria. Additionally, the architecture of the package simplifies the process of building and analyzing PPEs without requiring significant programming expertise, to accommodate diverse use cases. We present a case study that provides illustrative results of a probabilistic analysis of mean global surface temperature as an example of the software application.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Distributed Rules-Based Deconfliction of ADMS Applications: Part 1: Requirements & Decomposition

This work introduces a rules-based deconfliction methodology for resolving conflicting device control commands issued by advanced power applications considering a range of technical, economic, environmental, and social objectives. The methodology is designed to serve as one of multiple alternative implementations (along with application cooperation and global optimization) for the numerical component of the Deconfliction Pipeline. Development of the methodology is divided into two parts. This first document introduces the requirements, context, and methods for decomposing the deconfliction problem using the Laminar Coordination Framework and Variable Grid Structures. The deconfliction problem is decomposed into a distributed optimization problem based on the concept of quasi-static grid segments, which form independent distributed areas for control and coordination. Selection of the optimal number of decompositions of the deconfliction problem should be made based on a tradeoff analysis between computational speed and global optimality. This second document will define an initial set of technical, economic, and environmental criteria, as well as thirty specific qualitative rules that are used as part of the deconfliction methodology to eliminate non-viable setpoint alternatives. The deconfliction optimization problem is converted into a ranking of individual discrete setpoints, which are scored by the extent to which they satisfy specific decision criteria. The ranking is determined through the concepts of deconfliction exclusivity, priority, and preference. Several multi-criteria decision-making frameworks are examined with the simple multi-attribute rating technique exploiting ranks (SMARTER) recommended as a simple implementation alternative that aligns with the steps of the rules-based deconfliction methodology.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Application of Principal Component Analysis to Electrochemical Reprocessing PM and NMAC

In this report, data from an electrorefiner (ER) for nuclear fuel reprocessing is evaluated for process monitoring (PM) conclusions. This data comes from tests performed at the Idaho National Laboratory in 2022. Multivariate approaches utilizing methods of Principal Component Analysis (PCA) is applied. This is based off established work in process monitoring for fault detection in industrial facilities. This report will discuss the background, methods, and results of the application and some of the conclusions and applications that can be drawn from them. PCA is applied to two different electrorefiner (ER) operations that occurred at Idaho National Laboratory between August and October 2022. The first operation occurred with little incident while the second had several noted faults in the equipment in operational logs. The data from the first run was used to train the data for “normal” operations and applied to both sets of data to determine when operations were in an “off-normal” condition and identify where the fault occurs through PCA. PCA was able to identify off-normal events and identify the cause for off-normal operations. These identified off-normal events matched with the events and their causes in the operational logs. However, small amounts of variance in the data led to false detection of “off-normal” events. Thus, careful selection of training data and a-posteriori conclusions based off operator assessments will both be required for application of PCA to PM applications. This work demonstrated that multivariate approaches and latent variables are applicable to pyroprocessing PM applications and can be further expanded in future work as quality variables such as salt concentration from sensors and sampling become available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1974

Monitoring the vernal advancement and retrogradation (green wave effect) of natural vegetation

The author has identified the following significant results. Primary emphasis during the period has been given to completing the resource and land use mask overlays for ultimate subsite MSS data extraction and analysis, refining the computer mask program, verifying resultant masks, and evaluating the initial subsite data. Standard deviations for the selected subsites were generally reduced significantly when compared to the values for the overall 7km x 7km test site areas. This indicates that the masking technique has been successful in reducing the variability of the ERTS-1 MSS data for ultimate subsite comparisons with ground data. The techniques used to locate the 7km x 7km test site areas and extract masked subsite data apparently limit the ability to reliably locate identical very small subsite areas for temporal comparisons. Current evidence indicates that areas which include less than about four pixel elements in either dimension are probably unreliable.

Rouse, J. W., Jr.↗

NASA NTRS1989

Ginga observations of dipping low mass X ray binaries

Ginga observations of several low mass X ray binaries displaying pronounced dips of variable depth and duration in their X ray light curves are analyzed. The periodic occultation of the central X ray source by azimuthal accretion disk structure is considered. A series of spectra selected by intensity from the dip data from XB1916-053, are presented. The effects of a rapidly changing column density upon the spectral fitting results are modeled. EXO0748-676 was observed in March 1989 for three days. The source was found to be in a bright state with a 1 to 20 keV flux of 8.8 x 10 (exp -10) erg/sqcms. The data include two eclipses, observed with high time resolution.

Smale, Alan P.↗

NASA NTRS1989

Solar activity influences on atmospheric electricity and on some structures in the middle atmosphere

Only processes in the troposphere and the lower stratosphere are reviewed. General aspects of global atmospheric electricity are summarized in Chapter 3 of NCR (1986); Volland (1984) has outlined the overall problems of atmospheric electrodynamics; and Roble and Hays (1982) published a summary of solar effects on the global circuit. The solar variability and its atmospheric effects (overview by Donelly et al, 1987) and the solar-planetary relationships (survey by James et al. 1983) are so extremely complex that only particular results and selected papers of direct relevance or historical importance are compiled herein.

Reiter, Reinhold↗