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DOE OSTI2024

MultiPEM Toolbox: User Manual [Rev. 2]

This document explains use of the Multi-Phenomenology Explosion Monitoring (Multi PEM) Toolbox, a collection of R scripts for estimating the unknown device parameters of a new event with uncertainty quantification. The methodology and application used for illustration in this user manual are fully documented in a Los Alamos National Laboratory technical report hereafter designated “WPA” for reference. Additional details on the application are found in a recent journal article. Two assessment types are available: rapid and complete. Rapid assessments are conducted in two stages, as described in Section 2. In the first stage, calibration data are used to estimate forward and error model parameters (WPA, §5.1) and (if relevant) errors-in-variables yield values for calibration sources (WPA, §3, Equation (3)). In the second stage, new event data are used to estimate the unknown new event device parameters (WPA, §5.2) with uncertainty quantification. Two options for treating the inferred first stage parameters in second stage Bayesian analysis are available: fixing them at their maximum likelihood estimate (default), or multiple imputation. Multiple imputation involves utilizing several posterior samples (imputations) of the first stage parameters as fixed values in the second stage posterior sampling of the new event device parameters. Second stage sampling is conducted across imputations in parallel to improve computational efficiency. This method produces improved uncertainty quantification of the new event device parameters compared with the default treatment of the first stage parameters, at the expense of additional computation. Complete assessments are conducted in a single stage, as described in Section 3. Calibration and (if relevant) new event data are used simultaneously to estimate all forward model, error model, and (if relevant) new event device parameters with uncertainty quantification on the latter. As the name suggests, rapid assessments generally run substantially faster than complete assessments (even with multiple imputation), because the results of first stage analysis can be stored and incorporated into estimating a relatively low-dimensional space of new event device parameters whenever relevant new event data becomes available. On the other hand, complete assessments must be run on the full set of model and device parameters with calibration and new event data every time the latter becomes available.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Parametrizing the detector response with neural networks

In high energy physics, characterizing the response of a detector to radiation is one of the most important and fundamental experimental tasks. In many cases, this task is accomplished by parameterizing summary statistics of the full detector response probability density. The parameterized detector response can then be used for calibration as well as for directly improving physics analysis sensitivity. This paper reports on how to parameterize summary statistics of the detector response using neural networks. Specifically, neural networks are powerful tools for incorporating multidimensional data and the loss function used during training determines which summary statistic is learned. One common summary statistic that has not been combined with deep learning (as far as the authors are aware) is the mode. A neural network-based approach to mode learning is proposed and empirically demonstrated in the context of high energy jet calibrations. Altogether, the neural network-based toolkit for detector response parameterization can enhance the utility of data collected at high energy physics experiments and beyond.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Planck intermediate results

We present the NPIPE processing pipeline, which produces calibrated frequency maps in temperature and polarization from data from the Planck Low Frequency Instrument (LFI) and High Frequency Instrument (HFI) using high-performance computers. NPIPE represents a natural evolution of previous Planck analysis efforts, and combines some of the most powerful features of the separate LFI and HFI analysis pipelines. For example, following the LFI 2018 processing procedure, NPIPE uses foreground polarization priors during the calibration stage in order to break scanning-induced degeneracies. Similarly, NPIPE employs the HFI 2018 time-domain processing methodology to correct for bandpass mismatch at all frequencies. In addition, NPIPE introduces several improvements, including, but not limited to: inclusion of the 8% of data collected during repointing manoeuvres; smoothing of the LFI reference load data streams; in-flight estimation of detector polarization parameters; and construction of maximally independent detector-set split maps. For component-separation purposes, important improvements include: maps that retain the CMB Solar dipole, allowing for high-precision relative calibration in higher-level analyses; well-defined single-detector maps, allowing for robust CO extraction; and HFI temperature maps between 217 and 857 GHz that are binned into 0'.9 pixels (Nside = 4096), ensuring that the full angular information in the data is represented in the maps even at the highest Planck resolutions. The net effect of these improvements is lower levels of noise and systematics in both frequency and component maps at essentially all angular scales, as well as notably improved internal consistency between the various frequency channels. Based on the NPIPE maps, we present the first estimate of the Solar dipole determined through component separation across all nine Planck frequencies. The amplitude is (3366.6 ± 2.7) μK, consistent with, albeit slightly higher than, earlier estimates. From the large-scale polarization data, we derive an updated estimate of the optical depth of reionization of τ = 0.051 ± 0.006, which appears robust with respect to data and sky cuts. There are 600 complete signal, noise and systematics simulations of the full-frequency and detector-set maps. As a Planck first, these simulations include full time-domain processing of the beam-convolved CMB anisotropies. The release of NPIPE maps and simulations is accompanied with a complete suite of raw and processed time-ordered data and the software, scripts, auxiliary data, and parameter files needed to improve further on the analysis and to run matching simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Cosmological constraints from the Planck cluster catalogue with DES shear profiles and Chandra observations

We present cosmological constraints from the Planck PSZ2 cosmological cluster sample, using weak-lensing shear profiles from Dark Energy Survey (DES) data and X-ray observations from the Chandra telescope for the mass calibration. We compute hydrostatic mass estimates for all clusters in the PSZ2 sample with a scaling relation between their Sunyaev-Zeldovich signal and X-ray derived hydrostatic mass, calibrated with the Chandra data. We introduce a method to correct these masses with a hydrostatic mass bias using shear profiles from wide-field galaxy surveys. We simultaneously fit the number counts of the PSZ2 sample and the mass calibration with the DES data, finding $Ω_\text{m}=0.312^{+0.018}_{-0.024}$, $σ_8=0.777\pm 0.024$, $S_8\equiv σ_8 \sqrt{Ω_\text{m} / 0.3}=0.791^{+0.023}_{-0.021}$, and $(1-b)=0.844^{+0.055}_{-0.062}$ for our baseline analysis when combined with BAO data. When considering a hydrostatic mass bias evolving with mass, we find $Ω_\text{m}=0.353^{+0.025}_{-0.031}$, $σ_8=0.751\pm 0.023$, and $S_8=0.814^{+0.019}_{-0.020}$. We verify the robustness of our results by exploring a variety of analysis settings, with a particular focus on the definition of the halo centre used for the extraction of shear profiles. We compare our results with a number of other analyses, in particular two recent analyses of cluster samples obtained from SPT and eROSITA data that share the same mass calibration data set. We find that our results are in overall agreement with most late-time probes, in very mild tension with CMB results (1.6$σ$), and in significant tension with results from eROSITA clusters (2.9$σ$). We confirm that our mass calibration is consistent with the eROSITA analysis by comparing masses for clusters present in both Planck and eROSITA samples, eliminating it as a potential cause of tension.

Aymerich, G. [Orsay, IAS; AIM, Saclay] (ORCID:0009↗

DOE OSTI2025

Chemistry imaging and distribution analysis of rare earth elements in coal using LIBS and LA-ICP-MS instruments

Currently, demand for rare earth elements (REEs) increased significantly. Coal is actively evaluated as potential economic sources for extraction of REEs. Here, in this work, laser-induced breakdown spectroscopy (LIBS) was evaluated for rapid estimation of REEs content and their distribution in the natural coal samples. The results were compared with similar laser ablation–inductively coupled plasma–mass spectrometry (LA-ICP-MS) measurements. Thirteen coal samples (nine standard samples and five natural samples) were used in this study. Powder samples were pressed into pellets while coal chunks were directly ablated for data recording. Pellets of the powder standard samples were used to optimize the data acquisition system and then data recorded with this optimized system was used to identify the proper data acquisition and analysis models. After establishing the proper data acquisition system and analysis model using the standard samples, natural coal samples in powder form and their chunks were utilized to record LIBS and LA-ICP-MS spectra. Multivariate calibration models were developed using four of the natural samples, which were evaluated by predicting the REE content in the fifth sample. Principal component analysis was performed on the LIBS data obtained from the natural samples and it classified all the samples with high accuracy. Two-dimensional (2D) elemental mapping on coal chunk samples was also performed using both LIBS and LA-ICP-MS to study the distribution of REEs in the samples. The resulting elemental images and their correlations can be used to infer mineral distributions.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2021

As-Run Thermal Analysis for the AGC-4 Experiment Irradiated in the ATR

The Advanced Graphite Capsule (AGC) irradiation experiment will provide irradiation creep rate data for the new graphite proposed for the Next Generation Nuclear Plant (NGNP) program. The fourth experiment in the series (AGC-4) was designed to irradiate various types of graphite specimens at a temperature of 900 ºC and targeted displacements per atom (DPA) of 6. This experiment has been irradiated in the east flux trap of the Advanced Test Reactor (ATR) during the cycles of 157D, 158A, 162A, 162B, 164A, 164B, 166A, and 166B. Temperatures were monitored using twelve thermocouples (TC) located at various elevations in the reactor core, and variable helium-argon gas mixtures were used for gas gap temperature control of the specimens. The purpose of this Engineering Calculation and Analysis Report (ECAR) is to calculate the specimen temperature after the model is calibrated by the measured TC data with the as-run heating rates of the components, DPA of the graphite, and the gas mixture compositions during the experiment. As-run specimen mean temperature and the tolerance will be obtained.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Time-of-flight methodologies with large-area diamond detectors for the effectively characterization of tens MeV protons

A novel detector based on a polycrystalline diamond sensor is here employed in an advanced time-of-flight scheme for the characterization of energetic ions accelerated during laser-matter interactions. The optimization of the detector and of the advanced TOF methodology allow to obtain signals characterized by high signal-to-noise ratio and high dynamic range even in the most challenging experimental environments, where the interaction of high-intensity laser pulses with matter leads to effective ion acceleration, but also to the generation of strong Electromagnetic Pulses (EMPs) with intensities up to the MV/m order. These are known to be a serious threat for the fielded diagnostic systems. Here we report on the measurement performed with the PW-class laser system Vega 3 at CLPU (~30 J energy, ~10 21 W/cm 2 intensity, ~30 fs pulses) irradiating solid targets, where both tens of MeV ions and intense EMP fields were generated. The data were analyzed to retrieve a calibrated proton spectrum and in particular we focus on the analysis of the most energetic portion (E > 5.8 MeV) of the spectrum showing a procedure to deal with the intrinsic lower sensitivity of the detector in the mentioned spectral-range.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Discrimination of electronic recoils from nuclear recoils in two-phase xenon time projection chambers

We present a comprehensive analysis of electronic recoil vs. nuclear recoil discrimination in liquid/gas xenon time projection chambers, using calibration data from the 2013 and 2014-16 runs of the Large Underground Xenon (LUX) experiment. We observe strong charge-to-light discrimination enhancement with increased event energy. For events with S1 = 120 detected photons, i.e. equivalent to a nuclear recoil energy of ~100 keV, we observe an electronic recoil background acceptance of <10 –5 at a nuclear recoil signal acceptance of 50%. We also observe modest electric field dependence of the discrimination power, which peaks at a field of around 300 V/cm over the range of fields explored in this study (50-500 V/cm). In the WIMP search region of S1 = 1-80 phd, the minimum electronic recoil leakage we observe is (7.3 ± 0.6) 10 –4 , which is obtained for a drift field of 240-290 V/cm. Pulse shape discrimination is utilized to improve our results, and we find that, at low energies and low fields, there is an additional reduction in background leakage by a factor of up to 3. We develop an empirical model for recombination fluctuations which, when used alongside the Noble Element Scintillation Technique (NEST) simulation package, correctly reproduces the skewness of the electronic recoil data. We use this updated simulation to study the width of the electronic recoil band, finding that its dominant contribution comes from electron-ion recombination fluctuations, followed in magnitude of contribution by fluctuations in the S1 signal, fluctuations in the S2 signal, and fluctuations in the total number of quanta produced for a given energy deposition.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Application of the Continuum Damage Mechanics Wilshire-Cano-Stewart (WCS) Model

In this study, the applications of the continuum damage mechanics-based Wilshire-Cano-Stewart (WCS) model are explored to predict rupture time, minimum-creep-strain-rate (MCSR), damage, damage evolution, and creep deformation. Increase knowledge in manufacturing methods has pushed the limit of material science and the development of new materials. Conventional testing is required to qualify materials against creep which according to the ASME B&PV III code, 10,000+ hours of experiments are necessary for each heat before materials are put into service. This process is costly and not feasible for new materials. As an alternative, models have been employed to predict creep behaviors and reduce the amount of time necessary for material qualification. Many models have been developed to predict distinct creep behaviors and the question of which model is best remains. Amongst current models, the WCS model has emerge with the ability to predict multiple behaviors using an explicit analytical approach with the ability to predict long-term creep. In this study the novel continuum damage mechanics WCS is employed in multiple applications. The goals of the study are (a) to discuss and determine the framework of the WCS model and validated it mathematically and using parametric simulations, (b) applied the model to accelerated creep data to show the capabilities of the model with non-conventional data, and (c) applied a novel numerical method, the datum temperature method (DTM) to show the model extrapolations and interpolations capabilities with limited and reduce data sets. To accomplish these goals, data is gathered for alloy P91 and Inconel 718 to develop and post-audit validate the model. The benefits of using the WCS model is that it provides an explicit stress and temperature dependency ideal for extrapolations, the coupled equations are suitable for finite element analysis (FEA) implementation, and it follows an explicit calibration approach. The model also proves that it can be applied to accelerated testing data and using the DTM.

Cano, Jaime A↗

DOE OSTI2021

Interpreting internal consistency of DES measurements

ABSTRACT Bayesian evidence ratios are widely used to quantify the statistical consistency between different experiments. However, since the evidence ratio is prior dependent, the precise translation between its value and the degree of concordance/discordance requires additional information. The most commonly adopted metric, the Jeffreys scale, can falsely suggest agreement between data sets when priors are chosen to be sufficiently wide. This work examines evidence ratios in a DES-Y1 simulated analysis, focusing on the internal consistency between weak lensing and galaxy clustering. We study two scenarios using simulated data in controlled experiments. First, we calibrate the expected evidence ratio distribution given noise realizations around the best-fitting DES-Y1 ΛCDM cosmology. Secondly, we show the behaviour of evidence ratios for noiseless fiducial data vectors simulated using a modified gravity model, which generates internal tension in the LCDM analysis. We find that the evidence ratio of noise realizations generated at all confidence levels was biased towards agreement and show, with a modified gravity model, that the choice of prior could conceal the discrepancies between weak lensing and galaxy clustering induced by prior effects in unlike cosmological models, concluding that the evidence ratio in a DES-Y1 study is, indeed, biased towards agreement. Boundary effects can also influence conclusions about the inconsistency induced by modified gravity, even in a noiseless data vector simulation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

DEIMoS: An Open-Source Tool for Processing High-Dimensional Mass Spectrometry Data

We present DEIMoS: Data Extraction for Integrated Multidimensional Spectrometry, a Python application programming interface and command-line tool for high-dimensional mass spectrometry data analysis workflows, offering ease of development and access to efficient algorithmic implementations. Functionality includes feature detection, feature alignment, collision cross section calibration, isotope detection, and MS/MS spectral deconvolution, with the output comprising detected features aligned across study samples and characterized by mass, CCS, tandem mass spectra, and isotopic signature. Notably, DEIMoS operates on N-dimensional data, largely agnostic to acquisition instrumentation: algorithm implementations utilize all dimensions simultaneously to (i) offer greater separation between features, improving detection sensitivity, (ii) increase alignment/feature matching confidence among datasets, and (iii) mitigate convolution artifacts in tandem mass spectra. We demonstrate DEIMoS with LC-IMS-MS/MS data, demonstrating the advantages of a multidimensional approach in each data processing step.

Colby, Sean M↗

DOE OSTI2025

The DECADE cosmic shear project III: validation of analysis pipeline using spatially inhomogeneous data

We present the pipeline for the cosmic shear analysis of the Dark Energy Camera All Data Everywhere (DECADE) weak lensing dataset: a catalog consisting of 107 million galaxies observed by the Dark Energy Camera (DECam) in the northern Galactic cap. The catalog derives from a large number of disparate observing programs and is therefore more inhomogeneous across the sky compared to existing lensing surveys. First, we use simulated data-vectors to show the sensitivity of our constraints to different analysis choices in our inference pipeline, including sensitivity to residual systematics. Next we use simulations to validate our covariance modeling for inhomogeneous datasets. Finally, we show that our choices in the end-to-end cosmic shear pipeline are robust against inhomogeneities in the survey, by extracting relative shifts in the cosmology constraints across different subsets of the footprint/catalog and showing they are all consistent within 1σ to 2σ. This is done for forty-six subsets of the data and is carried out in a fully consistent manner: for each subset of the data, we re-derive the photometric redshift estimates, shear calibrations, survey transfer functions, the data vector, measurement covariance, and finally, the cosmological constraints. Our results show that existing analysis methods for weak lensing cosmology can be fairly resilient towards inhomogeneous datasets. This also motivates exploring a wider range of image data for pursuing such cosmological constraints.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Fixed-Site KAZR b1 Data Processing: Corrections, Calibrations, and Processing Report

The U.S. Department of Energy’s (DOE) Atmospheric Radiation Measurement (ARM) User Facility operates three fixed-site observatories: Eastern North Atlantic (ENA), North Slope of Alaska (NSA), and Southern Great Plains (SGP). Each fixed site has a wide variety of atmospheric instrumentation that has been collecting data for at least 10 years (NSA and SGP over 25 years). Each site is unique because it represents a different climate state. The environment at ENA is characterized by marine stratocumulus clouds and one of the key scientific areas of focus is the interaction of these clouds with aerosols. At NSA the focus is on arctic climate and cloud and radiative processes in a high-latitude environment. SGP represents a mid-latitude, mid-continent climate that experiences environmental cycles on diurnal and seasonal time scales. The ARM observatories are all meant to improve understanding of atmospheric processes that can then be better incorporated into weather and climate models. Another common thread between the fixed sites is the focus on cloud processes. Each site is equipped with at least one radar that provides continuous remote-sensing observations of clouds and precipitation. This report details the analysis of a1-level radar data at the fixed sites and the process for generating b1-level data. While b1-level data have been produced for ARM campaigns at the mobile facilities, this is the first analysis led by ARM radar mentors to correct data at the fixed sites. In particular, we focus on calibrations and corrections of the Ka-band ARM Zenith Radars (KAZRs) at ENA, NSA, and SGP. Ongoing and future work will involve corrections applied to other fixed-site radars.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Columnar data analysis with ATLAS analysis formats

Future analysis of ATLAS data will involve new small-sized analysis formats to cope with the increased storage needs. The smallest of these, named DAOD_PHYSLITE, has calibrations already applied to allow fast downstream analysis and avoid the need for further analysis-specific intermediate formats. This allows for application of the "columnar analysis" paradigm where operations are applied on a per-array instead of a per-event basis. We will present methods to read the data into memory, using Uproot, and also discuss I/O aspects of columnar data and alternatives to the ROOT data format. Furthermore, we will show a representation of the event data model using the Awkward Array package and present proof of concept for a simple analysis application.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Predicting Switchgrass Biomass Yields Using a Spectral Vegetation Index Derived from Multispectral Satellite Imagery

Successful scaling of perennial bioenergy crop production requires a landscape design that optimizes the benefits of finite lands for people, communities, and environments. Utilizing marginal areas is the key to sustainable bioenergy crop production (Ssegane et al., 2015, 2016). Marginal areas are often small-sized lands and unevenly distributed across the agricultural landscape (Ssegane et al., 2016); thus, a systematic, semi-automated remote sensing method is needed as an effective means of estimating bioenergy crop yields across landscapes. Argonne National Laboratory (Argonne) is currently developing a tool, Scaling Up Perennial Bioenergy Economics and Ecosystem Services Tool (SUPERBEEST), to identify marginal agricultural lands and quantify environmental and economic effects of perennial bioenergy crop production systems. The tool aims to provide users a path to foster the sustainable and productive integration of bioenergy crops in the Midwestern agricultural landscape. Reliable, cost-effective, and timely estimation of bioenergy crop yields using remote sensing would help calculate and track the success of integrated bioenergy crops in the landscape for those communities. Argonne previously conducted feasibility studies for estimating biomass yields for bioenergy feedstock, corn and perennial grass using spectral vegetation indices (SVIs)1 derived from optical imagery (Hamada et al., 2015, 2021). In both studies, SVIs, more specifically those sensitive to plant chlorophyll or nitrogen contents, showed potential for estimating or predicting biomass yields with a correlation of determination (R2) ranging from 0.54 to 0.96, indicating a value for further investigation as a viable means of quantifying bioenergy feedstock production across large landscapes. Thus, the goal of this study is to evaluate the feasibility of use of SVIs as a means of estimating or predicting switchgrass biomass yields at harvest using publicly available multispectral satellite imagery. The feasibility analysis was performed using four study areas of mature switchgrass located in Virginia. Objectives are to (1) examine the SVIs and establish their relationships with switchgrass biomass yields at harvest, (2) develop a parsimonious image processing model for predicting at-harvest yields by applying the relationships with the most promising spectral index and (3) map switchgrass yields predicted by the image processing model across the study sites. The calibration to field data will rely on switchgrass biomass yields determined by the baling method, representing a potential challenge to the analysis but an important practical aspect for future applications. With this research design, the study aimed to gain insights into enabling remote sensing-based estimation of bioenergy crop yields in a reliable, cost- effective, and timely manner across large, heterogeneous landscapes.

09 BIOMASS FUELS↗

DOE OSTI2022

Physics-Informed and Data-Driven Prediction of Residual Stress in Three-Dimensional Machining

Efficient and reliable prediction of machining-induced residual stress (RS) is a key requirement for truly integrated computational materials engineering (ICME). Currently available process modeling approaches, including empirical, analytical, and numerical methodologies lack predictive power and require substantial calibration and validation data. Moreover, most model-based approaches consider only two-dimensional (2D) (i.e., orthogonal), cutting processes. Meanwhile, industrial processes such as milling, turning, and drilling are inherently three-dimensional (3D). The present work attempts to bridge the gap between 2D and 3D through careful consideration of the process physics, including geometric, kinematic, and size-effect constraints to realize robust prediction of how RS develops in 3D machining. Using a novel in-situ experimental technique and digital image correlation (DIC) to determine equivalent Hertzian contact widths, contact pressures, and friction coefficients, the proposed methodology leverages a discretized conversion algorithm that includes multi-pass shakedown effects. This paper presents a semi-analytical model to predict machining-induced RS in 3D turning operations, which are used representatively for 3D processes more generally. Rather than follow a ‘brute force’ 3D FEM approach or conduct countless experiments to train a purely data-driven machine learning algorithm, the proposed approach builds on previous 2D modeling work. Through careful consideration of the process physics, including complex geometry/kinematic considerations of 3D turning, the authors demonstrated an experimentally calibrated approach, as well as validation based on published RS data. Model predictions and previously published measurement data of RS depth profiles for turning of Inconel 718 were compared for a range of process parameters. Correlation between the proposed 3D model and validation data was found to be within the margin of experimental error for most conditions. The proposed model appears to capture the overall behavior of 3D RS depth profiles with acceptable accuracy, particularly the key metrics of near-surface stress, peak stress magnitude and location, as well as overall stress profile depth. This report presents a physics-informed, data-driven approach for efficient calibration of a 2D model for machining-induced RS through DIC analysis of in-situ characterized subsurface displacement fields.

42 ENGINEERING↗

DOE OSTI2024

Assessing Nutrient and Carbon Responses to Agricultural Conservation Practices in Two Midwest Watersheds

The United States is undertaking efforts to transition to a low-carbon economy in response to the heightened impacts of climate change, which are largely attributed to decades of carbon-intensive development. A concerted effort by the energy sector to achieve net-zero carbon emissions is aimed at strategically reducing the carbon footprint of the energy supply chain, particularly in the production of feedstocks for biofuels. The production of biofuels relies heavily on land use and management practices in biomass cultivation. Among other factors, soil organic carbon (SOC) plays a crucial role in the biofuel carbon cycle, impacting land productivity, greenhouse gas emissions, and water quality. The process of carbon drawdown during plant growth and storage helps to mitigate the release of carbon dioxide (CO 2 ) into the atmosphere. Another key parameter is the release of nitrous oxide (N 2 O) — a potent greenhouse gas with a global warming potential 273 times that of CO 2 — from soil. While prioritizing low-carbon production, sustainable bioenergy also necessitates improved water quality and ecosystem services. Agricultural conservation practices can contribute to enhanced soil health and reduce nutrient and sediment loss into streams. However, studies that explore the broader impact of these practices on soil carbon storage and N 2 O emissions at a watershed scale are limited. Specifically, our understanding of how low-carbon feedstock production and management affect nutrient cycle dynamics is incomplete. This study assesses watershed responses to land management practices in two agriculturally dominant watersheds: the Raccoon River watershed and the Southfork of Iowa River watershed. The study focuses on carbon and nutrient dynamics, characterizing spatial and temporal variations in SOC, N 2 O, and nutrient loadings to examine the relationship between nutrient and carbon responses and agricultural conservation practices. The study employs the newly developed Soil Water Analysis Tool for Carbon (SWAT-C) model, calibrated using 20 years’ of climate and water monitoring data, to simulate and evaluate two agricultural conservation practices: no-till and crop residue harvest with cover crop planting. We compared the calibrated SWAT-C model with a historical baseline model, which allowed us to analyze various aspects of the watershed, including stream flow, suspended sediments, nitrogen, phosphorus, organic carbon, SOC at different depths, and N 2 O emissions from topsoil. Our SWAT-C modeling results indicate that, compared with results from the historical baseline model, no-till practices are positively correlated with SOC accumulation, reduced N 2 O emissions, and decreased soil loss. We also observed no change or slightly increased nitrogen and phosphorus loss to water bodies in the watersheds compared with the baseline. Conversely, crop residue harvest with cover crop planting improved water quality by reducing nutrient and soil losses but also increased N 2 O emissions. This SWAT-C modeling study establishes the groundwork for further smaller-scale and/or sub-basin-level assessments of nitrogen, phosphorus, and carbon cycles. It provides valuable science-based insights to inform policy decisions — particularly in the context of transitioning to biofuel feedstock production in these watersheds — by addressing concerns about nutrient exports to local water bodies and, ultimately, the Mississippi River.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis - NLR Historical Wind

The U.S. Department of Energy and the National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis from variable sources, hydrogen compression and storage, and hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) initiative. This dataset represents part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure nationwide. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with various energy technologies. Future datasets will demonstrate how existing hydrogen fuel cell technologies can provide controllable, dispatchable, and variable power output for artificial intelligence (AI) data centers and other variable loads. This dataset entry describes hydrogen production by conducting a statistical analysis of historical wind data over a five-year period (2020-2025) from a single 1.5MW turbine manufactured by General Electric (GE) located at NLR’s Flatirons Campus, to generate an experimental test profile that was deployed on a 1.25-MW proton exchange membrane type MC250 electrolyzer system manufactured by Nel Hydrogen . [1] While the electrolyzer balance-of-plant supports up to 2.5 MW of electrolysis, NLR only has a single 1.25-MW electrolysis stack. The historical wind data provided several metrics, however, the analysis particularly focused on the measured power output by the wind turbine. The power output time series of data for each day was categorized by total energy generation and standard deviation, and the day that represented the highest combination of these two metrics was chosen – December 25th, 2022. This process was then repeated for a moving four-hour window within this day to identify the most statistically variable period. Finally, this four-hour period was scaled by 65% to match the 1.25 MW electrolyzer. The electrolysis system controls hydrogen production by varying DC current applied to the stack, from a maximum of 3000 A to a minimum safe operation of 300 A, or 10%. Because the current – voltage characteristic changes as the stack ages and efficiency degrades, the actual minimum safe operating power changes over time. The historical wind profiles were translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1 Hz frequency. For more details on the statistical analysis process, see the presentation labeled “ Public Reference Data for Megawatt-Scale Hydrogen Electrolysis” provided with each data entry. These datasets report relevant hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. Each .zip file represents a single wind turbine electrolysis experiment and is formatted as follows: {technology}_{scaling factor}-{electrolyzer ramp rate in amperes/second} For instance, “wind-GE1.5MW_0.65-400.zip” represents the hour-long experiment using historical data from the wind-GE1.5MW turbine, scaled to 65%, with the electrolyzer power supply set to a maximum ramp rate (gain and slew) of 400 A/s. Each .zip folder contains the following files: A .csv file containing raw data An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production, electrolysis power consumption, and wind power input. A PDF file detailing the historical wind data statistical analysis used to generate the wind profile. An experiment labeled “characterization_200.zip” demonstrates the MC250 electrolyzer steady-state response with 30-minute load steps for a total duration of 5 hours. Finally, a .csv file is provided with all simulated wind experiments combined into one dataset labeled "combined_historical_wind_experiments.csv". NLR also built an AI/machine-learning predictive model based on these datasets. The model ingests the electrolyzer current command in amperes, as well as various pressures and temperatures across the system, and predicts hydrogen output in kilograms per hour. The complete model can be found at https://huggingface.co/NatLabRockies/ptmelt-hydrogen-electrolysis [1] nelhydrogen.com/product/mc-series-electrolyser .

08 HYDROGEN↗