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DOE OSTI2026

Wind and Temperature Consensus at Horn Point, HU-Beltsville, Piney Run (Maryland) in support of CoURAGE

The Maryland Department of the Environment (MDE) operates a ground-based atmospheric profiling network consisting of collocated radar wind profilers (RWP) and radio acoustic sounding systems (RASS) as part of its Ambient Air Monitoring Program. This network provides continuous observations of wind and temperature structure in the lower troposphere to support air quality forecasting, regulatory analysis, and atmospheric research. The network currently includes three fixed sites across Maryland: Horn Point (HP, lower eastern shore) [38.587525°,-76.141006°], Howard University-Beltsville (HUB, central Maryland) [39.055277°, -76.878632°], and Piney Run (PR, western Maryland) [39.705950°, -79.012000°] The network is designed to capture regional variability in atmospheric transport and boundary-layer processes. These systems measure vertical profiles of horizontal wind speed and direction using Doppler radar techniques, with observations typically spanning from ~100 m above ground level up to approximately 2.5–4 km. Measurements are derived from the Doppler shift of backscattered electromagnetic signals, enabling retrieval of wind vectors at multiple altitudes with high temporal resolution (e.g., 30-minute averages reported every 6 minutes). Each radar wind profiler is paired with a Radio Acoustic Sounding System (RASS) to provide profiles of virtual temperature in the lower atmosphere (~100–200 m AGL) by measuring the propagation speed of acoustic waves. Together, the RWP/RASS system yields a coupled data set of thermodynamic and kinematic atmospheric structure, including additional parameters such as vertical velocity, radial velocity, signal-to-noise ratio, and spectral width for advanced analysis. There are two types of files for each station: wind data (files with a "w" prefix) and virtual temperature RASS data (files with a "t" prefix). The wind data files are in the format wYYDDD.cns, where YY is the 2-digit year and DDD is the day of the year. The RASS virtual temperature data files are in the format tYYDDD.cns. Each record has the following header structure: Line 1 : Station Name RASS files Line 2 : RASS rev DeTect_2.0, WINDS files Line 2 : WINDS rev ATI 5.1 Line 3 : N latitude, W longitude, and site elevation (m) Line 4 : Date and begin time of consensus: yy mm dd hh mn ss plus # minutes to add to get UTC Line 5 : Consensus averaging time (minutes); number of beams; number of range gates Line 6 : Number of records required to make consensus (num) total number of records (tot) and the consensus window size (m/s) in the format: num:tot (window) RASS files Line 7 : no. of coded cells, no. of spec, pulse width (ns), and inter-pulse period (µs), WINDS files Line 7 : No. of coded cells, no. of spectra, pulse width (ns), and inter-pulse period (µs), each with a pair of values: first value is for oblique beams, second for vertical RASS files Line 8 : Full scale Doppler value (m/s) Delay to first gate (ns) Number of gates Spacing of gates (ns), WINDS files Line 8 : Full scale Doppler velocity (m/s), oblique and vertical Vertical correction applied to oblique beams? (0 = no, 1 = yes) Delay to first gate (ns), oblique and vertical Number of gates, oblique and vertical Spacing of gates (ns), oblique and vertical Line 9 : Azimuth and elevation (9s indicate vertical beam not used) RASS files Line 10, values : HT = Height above ground (km), T = Uncorrected virtual temperature consensus (deg C), Tc = Corrected virtual temperature consensus (deg C), W = Vertical wind consensus (9s indicate vertical beam not used, w-component, positive upward, m/s), CNT = Number of records that made consensus (for the 3 values in same order), SNR = Average signal to noise ratio (dB) of records in consensus (same order) WINDS files Line 10, values : HT = Height above ground (km), SPD = Wind speed (m/s), DIR = Wind direction (deg E of N from N), RAD = Radial velocities for each beam (m/s) in order given in azimuth and elevation line (positive toward radar; 9s indicate vertical beam not used, CNT = Number of records that made consensus, SNR = Average signal to noise ratio (dB) of records in consensus

{"wind speed and direction",temperature}↗

DOE OSTI2026

Marginal Soils Index Analysis & Geospatial Data

This data package contains output files associated with Mongird et al. (in prep) organized into four dataset directories. Each dataset is described in more detail below. 1. Marginal Soils Index Analysis Description: This folder contains a csv file with land needs and availability by state, power generating technology type, and scenario in 2050 when suitable siting areas are additionally constrained to areas with increasing levels of soil marginality. Files: msi_constrained_siting_availability_2050.csv Variables: Scenario - Projected 2050 scenario name State - US state abbreviation Technology - Generating technology type solar = solar photovoltaic gas_cc_re = natural gas combined cycle (recirculating cooling) wind = onshore wind gas_cc_ccs_re = natural gas combined cycle with carbon capture sequestration (recirculating cooling) gas_cc_dry = natural gas combined cycle with (dry cooling) gas_cc_pond = natural gas combined cycle with (pond cooling) coal_conv_ccs_re = conventional coal with carbon capture sequestration (recirculating cooling) Req_Capacity_MW - The amount of rated capacity required in 2050 of the given technology type in the given state and under the given scenario from the capacity expansion plan Req_Capacity_Factor - The assumed capacity factor (fraction between 0 and 1) for the given technology type in the given state and under the given scenario by the capacity expansion plan Req_Land_km2 - The amount of land required (in km-squared) to host the required generating capacity that is capable of meeting the specified capacity factor for the given technology type in the given state and under the given scenario Req_Energy_TWh - Product of Req_Capacity_MW, Req_Capacity_Factor, and 8760/1e6 for the given technology type in the given state and under the given scenario MSI_Case - The level of MSI that siting the given technology is additionally constrained to, where >0 means siting is additionally constrained to suitable land areas that have an MSI value greater than 0 >=1 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 1 >=2 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 2 >=3 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 3 Soil Attribute Rasters Description: This folder contains geospatial raster files for individual soil parameters upscaled to the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of non-missing 30m resolution values. All raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. Files: avg_cond_raster_ .tif - Average conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm max_cond_raster_ .tif - Maximum conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm min_ph_raster_ .tif- Min pH values across all soil horizons within a depth of 40 inches. avg_ph_raster_ .tif - Average pH value across all soil horizons within a depth of 40 inches. max_ph_raster_ .tif- Max pH value across all soil horizons within a depth of 40 inches. erosion_factor_raster_ .tif - Product of k-factor and percent slope flood_freq_raster_ .tif - Number of months of the year during which the area is commonly, frequently, or very frequently flooded. max_sar_raster_ .tif - Maximum sodium adsorption ratio across all horizons within a depth of 40 inches rock_frac_raster_ .tif - Fraction of the upper 6 inches of soil composed of rock fragments larger than 3 inches. temp_regime_raster_ .tif - Soil temperature regime with the following key: 0 = pergelic 1 = gelic 2 = cryic 3 = frigid 4 = isofrigid 5 = mesic 6 = isomesic 7 = thermic 8 = isothermic 9 = hyperthermic 10 =isohyperthermic Marginal Soils Index Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index at the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of 30m resolution. Both raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. A value of 0 indicates that there were no soil attributes present that indicate marginal soil. NA values indicate that data was unavailable or bodies of water. Files: marginal_soils_index_30m_raster.tif marginal_soils_index_1km_raster.tif Marginal Soils Index Resource Potential Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index + Resource Potential (MSI+RP) score at 1km resolution for geothermal, solar, and wind technologies. Raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. NA values indicate that the location is not suitable for siting the given technology due to policy, environmental, socioeconomic, topological, and other constraints regardless of soil marginality level. Areas with values greater than or equal to zero represent the product of the normalized MSI value and the normalized resource potential value. Files: geothermal_msi_ep_score_raster.tif solar_msi_ep_score_raster.tif wind_msi_ep_score_raster.tif Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Agriculture↗

DOE OSTI2026

Marginal Soils Index Analysis & Geospatial Data

This data package contains output files associated with the Mongird et al. paper entitled "Can US power grid expansion avoid prime agricultural lands?" and is organized into four dataset directories. Each dataset is described in more detail below. 1. Marginal Soils Index Analysis Description: This folder contains a csv file with land needs and availability by state, power generating technology type, and scenario in 2050 when suitable siting areas are additionally constrained to areas with increasing levels of soil marginality. Files: msi_constrained_siting_availability_2050.csv Variables: Scenario - Projected 2050 scenario name State - US state abbreviation Technology - Generating technology type solar = solar photovoltaic gas_cc_re = natural gas combined cycle (recirculating cooling) wind = onshore wind gas_cc_ccs_re = natural gas combined cycle with carbon capture sequestration (recirculating cooling) gas_cc_dry = natural gas combined cycle with (dry cooling) gas_cc_pond = natural gas combined cycle with (pond cooling) coal_conv_ccs_re = conventional coal with carbon capture sequestration (recirculating cooling) Req_Capacity_MW - The amount of rated capacity required in 2050 of the given technology type in the given state and under the given scenario from the capacity expansion plan Req_Capacity_Factor - The assumed capacity factor (fraction between 0 and 1) for the given technology type in the given state and under the given scenario by the capacity expansion plan Req_Land_km2 - The amount of land required (in km-squared) to host the required generating capacity that is capable of meeting the specified capacity factor for the given technology type in the given state and under the given scenario Req_Energy_TWh - Product of Req_Capacity_MW, Req_Capacity_Factor, and 8760/1e6 for the given technology type in the given state and under the given scenario MSI_Case - The level of MSI that siting the given technology is additionally constrained to, where >0 means siting is additionally constrained to suitable land areas that have an MSI value greater than 0 >=1 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 1 >=2 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 2 >=3 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 3 Soil Attribute Rasters Description: This folder contains geospatial raster files for individual soil parameters upscaled to the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of non-missing 30m resolution values. All raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. Files: avg_cond_raster_ .tif - Average conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm max_cond_raster_ .tif - Maximum conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm min_ph_raster_ .tif- Min pH values across all soil horizons within a depth of 40 inches. avg_ph_raster_ .tif - Average pH value across all soil horizons within a depth of 40 inches. max_ph_raster_ .tif- Max pH value across all soil horizons within a depth of 40 inches. erosion_factor_raster_ .tif - Product of k-factor and percent slope flood_freq_raster_ .tif - Number of months of the year during which the area is commonly, frequently, or very frequently flooded. max_sar_raster_ .tif - Maximum sodium adsorption ratio across all horizons within a depth of 40 inches rock_frac_raster_ .tif - Fraction of the upper 6 inches of soil composed of rock fragments larger than 3 inches. temp_regime_raster_ .tif - Soil temperature regime with the following key: 0 = pergelic 1 = gelic 2 = cryic 3 = frigid 4 = isofrigid 5 = mesic 6 = isomesic 7 = thermic 8 = isothermic 9 = hyperthermic 10 =isohyperthermic Marginal Soils Index Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index at the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of 30m resolution. Both raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. A value of 0 indicates that there were no soil attributes present that indicate marginal soil. NA values indicate that data was unavailable or bodies of water. Files: marginal_soils_index_30m_raster.tif marginal_soils_index_1km_raster.tif Marginal Soils Index Resource Potential Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index + Resource Potential (MSIxRP) score at 1km resolution for geothermal, solar, and wind technologies. Raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. NA values indicate that the location is not suitable for siting the given technology due to policy, environmental, socioeconomic, topological, and other constraints regardless of soil marginality level. Areas with values greater than or equal to zero represent the product of the normalized MSI value and the normalized resource potential value. Files: geothermal_msi_rp_score_raster.tif solar_msi_rp_score_raster.tif wind_msi_rp_score_raster.tif Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Agriculture↗

DOE OSTI2025

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis – Simulated Wind

The U.S. Department of Energy and the National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis, hydrogen compression and storage, and variable 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 using a single, simulated wind turbine. The electrolyzer is a 1.25-MW proton exchange membrane type MC250 system manufactured by Nel Hydrogen . While the unit supports up to 2.5 MW of electrolysis, NLR only has a single 1.25-MW electrolysis stack. For the simulated wind energy profiles, NLR used OpenFAST to simulate a 3.4-MW International Energy Agency (IEA) reference wind turbine. The hour-long wind energy profiles varied over wind turbulence intensity (Class A or Class C) and average wind speed (5, 7, or 9 m/s). To match the power limits of the 1.25-MW electrolyzer and 3.4-MW IEA wind turbine most effectively and to maximize the efficiency of hydrogen production at a given average wind speed, the profiles were sometimes scaled by two times. This means that, in some cases, the experimental setup assumed two 1.25-MW electrolyzers were coupled with the wind turbine, representing a total maximum electrolysis load of 2.5 MW. Finally, NLR experimented with two settings for the electrolyzer power supply minimum and maximum current ramp rates (gain and slew): 200 and 400 amperes per second. The simulated 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. 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}-{average wind speed}-{turbulence class}_{number of 1.25 MW electrolyzers connected}-{electrolyzer ramp rate in amperes/second} For instance, “windIEA3.4-5ms-C_2-400.zip” represents the hour-long experiment using the IEA 3.4-MW turbine, subjected to an average wind speed of 5 m/s and Class C wind turbulence, and connected to two 1.25-MW electrolyzers with the power supply set to a maximum current 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 in kilograms per hour, electrolysis power consumption, and input wind turbine power. 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_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 .

08 HYDROGEN↗

DOE OSTI2025

Replication Data for: Measurement of the mean number of muons with energies above 500 GeV in air showers detected with the IceCube Neutrino Observatory

Measurement of the mean number of muons with energies above 500 GeV in air showers detected with the IceCube Neutrino Observatory This data release accompanies results submitted to Physical Review D describing the measurement of the average multiplicity of TeV muons with IceCube. It contains the data necessary to reproduce the main plots from the paper (Figs. 7 and 9), i.e. the numerical results for the average number of muons with energies above 500 GeV as a function of primary cosmic ray energy. For any questions about this data release, please write to analysis@icecube.wisc.edu. Files included in this release: <ul> <li>A README file <li>Files including data to reproduce the results plots from the paper (see below for details) <li>An example python script showing how to read and plot the data </ul> What is in the files icecube_Nmu500_X_Y.txt: Y indicates wether the file contains values obtained from experimental data (Y="data") or air-shower simulations (Y="MC"). X indicates the hadronic interaction model for which the plot is made. If Y="data", this means that the experimental data was interpreted using this model. If Y="MC", it means that the simulations were performed with this model. The three models included are Sibyll 2.1, QGSJet-II.04, and EPOS-LHC (see paper for references). The file with X="modelaverage" gives the average over the three individual results with the deviations from the average included in the systematic uncertainties. Please see the README file for details on how the data is structured in the files.

Astroparticle Physics↗

DOE OSTI2024

WEC-Sim Modeling of Laminar Scientific's Patented Seesaw Wave Energy Converter: Preprint

Laminar Scientific's patented seesaw wave energy converter was modeled in WEC-Sim to predict performance. The device operates by utilizing ocean surface waves to rotate a truss in pitch about a pivot. The pivot is located at the top of two pylons, which are embedded in the seafloor. The seesaw has a float on either end, and the buoyancy forces from each float cause the system to rise or fall with passing waves. Device performance relies upon seesaw length and ocean wavelength creating an antiphase effect. The seesaw truss has an adjustable length intended to achieve this effect. The operation method enforces a narrow band of wavelengths which induce the largest rotational motion from the device. The hydrodynamic analysis of the device was performed using Capytaine, and the results confirmed that the device operates best in a narrow frequency band. Four float-to-float spacing cases and three pylon radii were examined. The hydrodynamic results indicate a match between the model and the physical expectations for the device, and that varying the pylon radii by 0.1-m increments for three instances creates minimal changes in hydrodynamic properties. Power matrices for three float spacing cases of the device were simulated with Joint North Sea Wave Project spectra waves and optimal power take-off damping in WEC-Sim. The maximum average power production for the 15-m spacing case was 14.1 kW with a 5.0-s peak wave period and 4-m significant wave heights. Plots of capture-width ratios indicated that the device performance was linear and confirmed that the device is optimal in a narrow frequency band. The maximum percentage of the available wave power produced by the 15-m device was approximately 16%. Simulations of the device in regular waves were used to produce plots of average power compared to a ratio of float spacing to wavelength. These plots indicate that the power production is maximized at a ratio of 0.5, and further confirm that the device has a narrow frequency response. The device was simulated at an example field location, where the device produced an annual average power rating of 1.6 kW given an average omnidirectional wave climate of 10.3 kW m-1 and an optimal, linearized power take-off model. While the maximum predicted device performance is reliant upon a narrow band of wave frequencies, the conducted analysis provides an opportunity to improve device design prior to prototyping and testing. Modifying the design to respond to a broader frequency range would improve device performance.

numerical modeling↗

DOE OSTI2025

In Situ/Operando Probing of Dynamic Phase Structures of Alumina‐Supported Ultrasmall Copper‐Gold Alloy Nanoparticles Under Reaction Conditions

Abstract The ability to control phase structures and surface sites of ultrasmall alloy nanoparticles under reaction conditions is essential for preparing catalysts by design. This is, however, challenging due to limited understanding of the atomic‐scale phases and their correlation with the ensemble‐averaged structures and activities of catalysts during catalytic reactions. We reveal here a dynamic structural stability of alumina‐supported ultrasmall and equiatomic copper‐gold alloy nanoparticles under reaction conditions as a model system in the in situ/operando study. In situ atomic‐scale morphological tracking under oxygen reveals temperature‐dependent dynamic crystalline‐amorphous dual‐phase structures, showing dynamic stability over an elevated temperature range. This atomic‐scale dynamic phase stability coincides with a “conversion plateau” observed for carbon monoxide oxidation on the catalyst. It is substantiated by the stable lattice ordering/disordering structures and surface sites with oscillatory characteristics shown by operando ensemble‐average structural tracking of the catalyst during the oxidation reaction. The understanding of the atomic‐scale dynamic phase structures in correlation with the ensemble‐average dynamic ordering/disordering phase structures and surface sites provides fresh insights into the unique synergy of the supported alloy nanoparticles. This understanding has implications for the design and structural tuning of active and stable ultrasmall alloy catalysts under elevated temperatures.

Chemistry↗

DOE OSTI2024

HL-2A's ELM cycle simulations by integrating BOUT++'s drift MHD and transport code

A new integrating model has been developed to couple tokamak edge multiscale magnetohydrodynamic (MHD) events and transport simulations, such as edge-localized mode (ELM) cycles. As a proof of principle, we first start from a set of three-field two-fluid model equations, which includes the pressure, current, and vorticity. Here, the equations are separated into the slowly evolving part of the axisymmetric component by taking a time average of the axisymmetric component. The time-averaged fluxes, which are quadratic in fluctuating quantities, act as driven terms for the time-averaged axisymmetric quantities that determine the plasma transport, and therefore the large-scale evolution of the plasma profiles. Then the HL-2A's ELM cycles are simulated using the model. Good agreements of ELM size and pedestal recovery time have been achieved for the solutions obtained from the coupled simulation compared with experiment. For one ELM cycle simulation, the coupled code can achieve a speedup of a factor of up to 30 over standalone code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Functional but not taxonomic diversity increases productivity of Populus in the southeastern United States

Plant interactions like competition and facilitation impact ecosystem function and resilience. Improving our understanding of the relationships between these interactions and community productivity has important implications for managers of production systems in forestry and agriculture as well as conservation science. Populus spp. are an excellent model system for exploring how inter‐ and intraspecific interactions impact ecosystem functions, such as productivity, in forest plantations. In this study, we compared aboveground productivity of six Populus clones from three different taxa grown in monoclonal and mixed‐clonal plots. The different mixture treatments were intended to experimentally test aboveground biomass response to contrasting levels of taxonomic diversity and functional diversity based on nitrogen use characteristics of Populus clones. We hypothesize that functional diversity would be more important than taxonomic diversity in increasing aboveground productivity of mixed‐clonal plantings compared to monocultures. In addition, a subset of treatments was carried out on additional sites representing a productivity gradient in order to determine if the relationship between biodiversity and productivity in these systems diminished at more productive sites as suggested by the stress‐gradient hypothesis. We found that functionally diverse mixtures of clones had greater yield of aboveground biomass than the average of their constituent monocultures, while more taxonomically diverse mixes of clones did not differ from the average of their constituent monocultures. However, when reestablished on sites with extremely high or low productivity, the best performing clone mixture also did not differ from the average of its constituent monocultures. Our results suggest that intimate clone mixtures of Populus have the potential to significantly increase productivity, but results vary by mixture and by site. To capitalize on positive biodiversity effects on yield in production systems, targeted mixtures based on divergent functional traits linked to different use and acquisition strategies for site‐specific limiting resources are most likely to be successful.

BEF↗

DOE OSTI2024

Dynamic changes in evapotranspiration, canopy photosynthesis and expansive growth in open field under rapid fluctuating radiation

Abstract In open fields, plants experience dynamic changes in environment, particularly radiation, temperature, wind, and humidity but their short-term responses have not been adequately characterized under natural conditions. In this study, we assessed causal effects of rapid radiation fluctuation on seven plant parameters in open fields of cotton and sweet corn canopies. The parameters are evapotranspiration ( ET ), canopy photosynthesis indicated by CO2 flux from air to canopy ( FCO2 ), sensible heat energy flux ( H ), canopy conductance for water vapor ( gcw ), canopy surface temperature ( Ts ), shoot and leaf elongation rate, and stem diameter change. The energy and CO2 fluxes were measured with Bowen ratio/energy balance/CO2 gradient (BREB+) technique, using averaging time of 5 min. Shoot + leaf elongation and stem diameter change were monitored with position transducers using averaging time of 1 min. All parameters were all found to respond to change in radiation and transpiration within minutes or sooner. While radiation effects on canopy gas exchanges are expected, illuminating are the indirect but immediate effects on shoot + leaf growth and stem diameter change through radiation effects on transpiration and plant water status. A novel finding is that gcw also responded within minutes or sooner to radiation fluctuations and that FCO2 was related almost linearly to gcw . Results are discussed in terms of soil-plant-atmosphere continuum, and interpreted in terms of dynamic interactions between transpiration and plant water status. The clear inverse relationship between ET and elongation rate or stem diameter changes provides additional evidence supporting the validity of 5-min averaging for the BREB + technique.

Hsiao, Theodore C.↗

DOE OSTI2024

Microstructural evolution in a precipitate-hardened (Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 ) 94 Ti 2 Al 4 multi-principal element alloy during high-pressure torsion

Multi-principal element alloys demonstrate high strength, thermal stability, and irradiation resistance, making them excellent candidate materials for applications in nuclear reactors and other harsh environments. Some studies have examined the use of high-pressure torsion to strengthen MPEAs through grain size reduction and strain hardening. However, no studies have investigated the effect of HPT on secondary phases (precipitates) within an MPEA. Two alloys, (Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 ) 94 Ti 2 Al 4 containing Ni(Ti, Al) B2 phase, and CrFe σ phase, and single-phase Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 , were fabricated by casting and heat treatment. Both alloys were then processed with HPT to study microstructural evolution. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to characterize the alloys before and after HPT processing. HPT processing produced a nanocrystalline structure in both alloys, but (Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 ) 94 Ti 2 Al 4 exhibited a significantly smaller grain size and higher dislocation density than Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 , with corresponding higher hardness. Before HPT, the (Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 ) 94 Ti 2 Al 4 alloy consisted of large grain (~ 400 μm) and precipitates, including B2 of ~ 38 μm average size, B2 of ~ 0.7 μm average size, and small amounts of σ of ~ 1.5 μm average size. After HPT, the larger B2 precipitates were decreased in size and volume fraction, while the smaller B2 precipitates were completely dissolved; the σ precipitates appeared unaffected by HPT, likely due to their much higher hardness. Finally, observation of the B2 precipitate distribution along radial distance indicates that the strain caused the precipitates to fracture at intermediate strain (γ = 125) and dissolve at high strain (γ = 280).

36 MATERIALS SCIENCE↗

DOE OSTI2025

Graph decomposition techniques for solving combinatorial optimization problems with variational quantum algorithms

The quantum approximate optimization algorithm (QAOA) has the potential to approximately solve complex combinatorial optimization problems in polynomial time. However, current noisy quantum devices cannot solve large problems due to hardware constraints. In this work, we develop an algorithm that decomposes the QAOA input problem graph into a smaller problem and solves MaxCut using QAOA on the reduced graph. The algorithm requires a subroutine that can be classical or quantum—in this work, we implement the algorithm twice on each graph. One implementation uses the classical solver Gurobi in the subroutine and the other uses QAOA. We solve these reduced problems with QAOA. On average, the reduced problems require only approximately 1/10 of the number of vertices than the original MaxCut instances. Furthermore, the average approximation ratio of the original MaxCut problems is 0.75, while the approximation ratios of the decomposed graphs are on average of 0.96 for both Gurobi and QAOA. With this decomposition, we are able to measure optimal solutions for ten 100-vertex graphs by running single-layer QAOA circuits on the Quantinuum trapped-ion quantum computer H1-1, sampling each circuit only 500 times. This approach is best suited for sparse, particularly k-regular graphs, as k-regular graphs on n vertices can be decomposed into a graph with at most $\frac{nk}{k+1}$ vertices in polynomial time. Further reductions can be obtained with a potential trade-off in computational time. In conclusion, while this paper applies the decomposition method to the MaxCut problem, it can be applied to more general classes of combinatorial optimization problems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Evaluation and calibration of MERRA-2 and CAMS reanalysis for PM 2.5 in a semi-urbanized area in the south of the Amazon

Air pollution has significant implications for the climate and poses irreversible risks to human health. The Amazon region of Brazil is severely affected by biomass burning (BB) emissions, yet air quality monitoring remains highly inadequate. Given the scarcity of surface-based observations, reanalysis models have become essential tools for assessing air pollution. Although MERRA-2 and CAMS PM 2.5 products are widely utilized, their validation and comprehensive evaluation for the Amazon Basin remain limited. Here, this study assesses the performance of these products in a semi-urbanized region in the southern Amazon. The calibrated time series was employed to analyze PM 2.5 concentrations from 2003 to 2023. Our results showed satisfactory performance of both products for the 24-h averages of PM 2.5 , with linear correlations above 0.76. However, it was found that both products overestimate surface concentrations. MERRA-2 performed better, with approximately 30% lower bias than CAMS. Time series analysis showed that the study area is strongly impacted by emissions BB in the dry period, mainly in August and September. Furthermore, our findings indicate a positive trend in increasing PM 2.5 concentrations, with a notable rise observed since 2014. The average PM 2.5 levels frequently exceed the daily air quality guidelines established by the WHO in 2021. It has been estimated that the population of this region is exposed to concentrations above 15 μg.m -3 , on average, more than 30 days per year. Our results contribute to the evaluation of MERRA-2 and CAMS products for Amazon and provide a corrected estimate for surface PM 2.5 . Recent concerns about air quality and the implementation of new surface monitoring networks may improve the evaluation of reanalysis products. In the short term, the need for this information makes our assessments indispensable.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Integration and validation of some modules for modelling of high-speed chemically reactive flows in two-phase gas-droplet mixtures

Three modules are integrated into the built-in OpenFOAM rhoCentralFoam solver towards accurate and efficient modelling of high-speed chemically reactive flows in two-phase gas-droplet mixtures within the OpenFOAM 10.0 framework. The first module is the mixture-averaged diffusion model. The second module is the built-in OpenFOAM Lagrangian solver coupled with optimised droplet drag coefficient and convective heat transfer coefficient sub-models. The last module is a sparse stiff chemistry solver based on dynamic adaptive hybrid integration (AHI-S). The optimised droplet sub-models are first verified in correct implementation for subsequent simulations in this work. Further, they show good accuracy against experimental and analytical data in the modelling of ammonia droplet acceleration and cooling in the flowing and/or low-temperature air. The accuracy and efficiency gains related to the mixture-averaged diffusion model and the AHI-S chemistry solver are examined by simulating 1-D detonation propagation in ammonia droplet-free/laden ammoniaoxygen mixtures. Numerical results of detonation propagation speed, gaseous temperature, density, and species distributions around the induction zone show good agreement with experimental data and analytical solutions. Compared to the built-in OpenFOAM diffusion model, the mixture-averaged diffusion model provides different numerical predictions of pulsating instabilities in detonation propagation. It shows better accuracy in depicting the detonation structure within the droplet-free section attributed to improved multi-component diffusion modelling. Compared to the built-in OpenFOAM solver EulerImplicit (backward Euler), the AHI-S chemistry solver reduces the computational cost by around 50%. It achieves satisfactory accuracy in calculating detonation propagation speed within the droplet-free section with the optimal efficiency when the safety factor, β, equals 0.5.

42 ENGINEERING↗

DOE OSTI2025

Comparison of interlaminar damage modeling strategies for hybrid composite/aluminum laminates subjected to low-velocity impact

Low-velocity impact of hybrid metal-composite structures was investigated experimentally and computationally. Composite laminates consisting of 2D woven glass fiber reinforced polymer (GFRP) and carbon fiber reinforced polymer (CFRP) were joined with a 6061-T6 aluminum plate using an epoxy adhesive. Two variations of the structure were studied; one consisting of all plies oriented at 0° and one consisting of all plies oriented at 45°. A drop tower was used to impact structures at a range of energies, including energies above and below the threshold at which the aluminum layer was perforated. Numerical simulations were implemented using Sierra/SM, an in-house transient dynamics finite element code developed at Sandia National Laboratories. A Hosford plasticity model was used to describe the response of the aluminum layer. A newly implemented orthotropic continuum damage mechanics (CDM) constitutive model was used to represent the composite laminate. This 3D-CDM model was compared to a cohesive zone model (2D-CDM/CZM) to investigate efficacy of aluminum perforation energy prediction, delamination prediction, and computational cost. Accuracy of each model was evaluated using the experimental results. Each showed good agreement with the tests for both the force and velocity histories, as well as the observed damage mechanisms. The 2D-CDM/CZM model was marginally more accurate in capturing both the composite and aluminum behavior — this model averaged error percentages of -11.2% and 10.8% for residual velocity and peak force, respectively. Meanwhile, the 3D-CDM model predictions yielded average error percentages of -35.5% (velocity) and 22.6% (force). However, the 3D-CDM model generally resulted in a decreased computational cost; the average run time was 14% shorter than the 2D-CDM/CZM model and 3x as many timesteps per hour were computed using the same computational resources. In conclusion, new experimental data on the impact and perforation resistance of metal-composite laminates is presented in addition to numerical predictions of the impact behavior.

Carbon fiber↗

DOE OSTI2025

HydroEcoLSTM: A Python package with graphical user interface for hydro-ecological modeling with long short-term memory neural network

Machine learning (ML) is emerging as a promising tool for modeling hydro-ecological processes due to the increasing availability of large environmental data. However, the use of ML requires sufficient programming knowledge due to a lack of a graphical user interface (GUI). In this study, we introduced a GUI package, named HydroEcoLSTM, with the long short-term memory network (LSTM) as the core model, that allows non-ML experts to utilize their domain knowledge to construct complex ML models. We demonstrated the functionalities of HydroEcoLSTM with two practical examples, including (1) predictions of streamflow in both gauged and ungauged catchments and (2) predictions of multiple outputs (i.e., streamflow and isotope transport from two catchments). The simulation results obtained in both case experiments are satisfactory. In the first example, the average Nash–Sutcliffe Efficiency (NSE) for streamflow simulation during the testing period is 0.79 while the application of the trained model in two assumed ungauged catchments also achieves the average NSE of 0.68. In the second example, the average NSE for streamflow and instream isotope simulation during the testing period is 0.71. Ultimately, applications of HydroEcoLSTM with real-world examples demonstrate its potential use for practical applications and research without requiring extensive coding skills.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Bioenergy pathways within United States net-zero CO 2 emissions scenarios in the Energy Modeling Forum 37 study

The Energy Modeling Forum 37 study is organized around carbon dioxide (CO 2 ) mitigation scenarios reaching net-zero CO 2 emissions by 2050 in the United States. Here, this paper summarizes the potential contribution of bioenergy use in the electric power, transportation, industrial, and buildings sectors toward meeting that target based on model results. Thirteen modeling teams reported bioenergy consumption in the Reference and Net Zero scenarios. Consumption of bioenergy increased over time in the Reference scenario, from an average across models of 3.2 exajoules (EJ) in 2020 to 3.8 EJ in 2050. Average bioenergy consumption in 2050 increased further to 7.3 EJ in the Net Zero scenario. All scenarios that reach net-zero emissions required some form of carbon dioxide removal to offset emissions that are difficult to reduce. Carbon dioxide removal using bioenergy with CO 2 capture and storage (BECCS) varies widely across models, up to 1000 Mt CO 2 in 2050. Some models rely instead on direct air carbon capture and storage (DACCS), up to 2200 Mt CO 2 , and others use a combination of BECCS and DACCS. Model results show a strong inverse relationship between the amounts of BECCS and DACCS deployed. All modeling teams assumed a carbon sink from land use, land use change, and forestry, further offsetting a portion of emissions from fossil fuels and industry that are expensive to eliminate. Bioenergy consumption in 2050 decreased by an average of 1.5 EJ across eight models in a Net Zero+ scenario relative to the Net Zero scenario, due in part to a lower equilibrium carbon price resulting from optimistic cost assumptions for all energy technologies.

09 BIOMASS FUELS↗

DOE OSTI2026

Analyzing historical snow trends in interior Alaska

Study region The Chena River watershed in Interior Alaska, USA Study focus This study examines 40 years (water years 1982–2021) of snowpack characteristics to consider its hydrological implications in the 5350 km² Chena River basin. Using observations and a fine-scale physics model, we analyzed trends of snow water equivalent (SWE), snow onset and disappearance, and snow cover duration (SCD). New hydrological insights for the region Results indicate a decline in SWE across the modeled domain, averaging a decrease of 3 mm per decade, with larger decreases (up to 10 mm per decade) at lower elevations. While domain-averaged SWE trends were not statistically significant, observed SCD showed statistically significant decreases: −5.2, −5.0, and −4.4 days per decade at Teuchet Creek, Fairbanks F.O., and Little Chena Ridge, respectively. Notably, observations at SNOTEL stations and modeling revealed no statistically significant change in domain-averaged Rain-on-Snow (ROS) events over the 40-year period, contrasting some regional future estimates of increased ROS frequency. Peak streamflow did not consistently correlate with peak SWE levels, suggesting that other environmental factors such as ROS events and rapid temperature increases (e.g., a 10°C spike observed in 1992) are key drivers of hydrological outcomes. These findings improve understanding of complex subarctic hydrological processes impacting permafrost and highlight the need for adaptive water resource management to mitigate multi-factor risks like flooding and wildfire, requiring proactive planning.

54 ENVIRONMENTAL SCIENCES↗