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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Fundamentals of hydrogen storage in nanoporous materials

Abstract Physisorption of hydrogen in nanoporous materials offers an efficient and competitive alternative for hydrogen storage. At low temperatures (e.g. 77 K) and moderate pressures (below 100 bar) molecular H 2 adsorbs reversibly, with very fast kinetics, at high density on the inner surfaces of materials such as zeolites, activated carbons and metal–organic frameworks (MOFs). This review, by experts of Task 40 ‘Energy Storage and Conversion based on Hydrogen’ of the Hydrogen Technology Collaboration Programme of the International Energy Agency, covers the fundamentals of H 2 adsorption in nanoporous materials and assessment of their storage performance. The discussion includes recent work on H 2 adsorption at both low temperature and high pressure, new findings on the assessment of the hydrogen storage performance of materials, the correlation of volumetric and gravimetric H 2 storage capacities, usable capacity, and optimum operating temperature. The application of neutron scattering as an ideal tool for characterising H 2 adsorption is summarised and state-of-the-art computational methods, such as machine learning, are considered for the discovery of new MOFs for H 2 storage applications, as well as the modelling of flexible porous networks for optimised H 2 delivery. The discussion focuses moreover on additional important issues, such as sustainable materials synthesis and improved reproducibility of experimental H 2 adsorption isotherm data by interlaboratory exercises and reference materials.

08 HYDROGEN↗
DOE OSTI2022

π phase shift across stripes in a charge density wave system

Many strongly correlated materials are characterized by deeply intertwined charge and spin order. Besides their high superconducting transition temperatures, one of the central features of these complex patterns in cuprates is a phase shift which occurs across lines of decreased hole density. That is, when doped away from their antiferromagnetic phase, the additional charge is not distributed uniformly, but rather in “stripes.” The sublattices preferentially occupied by up and down spin are reversed across these stripes, a phenomenon referred to as a “π phase shift.” Many of the spin-charge patterns, including the π phase shift, are reproduced by density matrix renormalization group and quantum Monte Carlo calculations of simplified tight binding (repulsive Hubbard) models. In this paper we demonstrate that this sublattice reversal is generic by considering the corresponding phenomenon in the attractive Hubbard Hamiltonian, where a charge density wave phase forms at half filling. Here, we introduce charge stripes via an appropriate local chemical potential; measurements of charge correlation across the resulting lines of lowered density reveal a clear π phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Integrated End-to-end Performance Prediction and Diagnosis for Extreme Scientific Workflows (IPPD) (Final Report)

This report details the accomplishments from the ASCR funded project “Integrated End-to-end Performance Prediction and Diagnosis for Extreme Scientific Workflows” under the award numbers FWP-66406 and DE-SC0012630, with a focus on the UC San Diego (Award No. DE-SC0012630) part of the accomplishments. We refer to the project as IPPD. The main activities of IPPD were centered on the development and integration of provenance information to capture empirically workflow information and identify the sources of bottlenecks as well as variability, and modeling and simulation to provide insights and predictively explore multiple scenarios for development of advanced techniques for optimization of resources and workflow execution. After a Phase I of the project, a Phase II effort focused on three major aspects: a) observe how data is generated, distributed, and used; b) analyze how data is (repeatedly) consumed with a focus both on repeated patterns and anomalies; and c) explore how to optimize data motion. The project leveraged and extended our existing tools with new research and demonstrated our work on the Belle II workflow suite as well as on workflows from NSLS-II.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Primer for OTERR Core Reloading Optimization

OTERR (Optimization of Test Reactor Reloading) is a software tool which assists in finding optimal fuel assembly reloading patterns for nuclear reactors. It was created specifically to support the Versatile Test Reactor (VTR) program, but its functionality is general enough to be applied to most fast spectrum reactors which use hexagonal prismatic fuel elements. This document is meant to be a primer for new users of OTERR to walk through example workflows for core reloading optimization cases. Simple cases are followed step-by-step to discuss what needs to be done to complete a reloading optimization sequence. Note that the intent of this document is to provide practical examples for users to follow along with so they can quickly start using OTERR and then make changes to fit their own modeling needs. Detail is limited in terms of addressing additional features not used in these examples and especially lacking in discussion of theory used in the code. To better address these points, users are highly encouraged to refer to the OTERR User Manual and the OTERR Theory Manual.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Uinta Basin CarbonSAFE II: Storage Complex Feasibility (Final Report)

The primary objective of this CarbonSAFE Phase II project was to establish the technical and commercial feasibility of a commercial-scale CO 2 geological storage complex for Deseret Power Electric Cooperative Bonanza Power Plant and other CO 2 sources in the northeast Uinta Basin, Utah, with the goal to securely store at least 50 million metric tons of captured CO 2 and accelerate CO 2 capture, utilization, and storage (CCUS) deployment. The project team established high-potential technical and commercial feasibility for a storage site within the east Uinta Basin (Utah), in the Cretaceous sandstones (Frontier, Dakota, and Buckhorn), Entrada Sandstone, Nugget Sandstone, and/or Weber Sandstone southwest of the Bonanza coal-fired power plant. This project collected and analyzed state-of-the-art data to characterize the storage complex consistent with Environmental Protection Agency (EPA) permitting standards. The team conducted extensive analog studies, outcrop mapping, and data sampling, which largely contributed to understanding the subsurface lithology and facies. Existing data were obtained and assessed from Utah Division of Oil, Gas, and Mining (DOGM), Utah Geological Survey (UGS), Colorado Geological Survey (CGS), U.S. Geological Survey (USGS), and EPA. These data were analyzed using state-of-the-art CCUS technologies for Societal Considerations, Site Characterization, Modeling and Simulations, Risk Assessment, Management and Monitoring, potential Underground Injection Control (UIC) Class VI Well Permitting, and Technical/Economic Feasibility. Through these high-resolution data collection and feasibility studies, this project was expected to provide a reference for initiating Underground Injection Control (UIC) and other commercial-scale geological storage permitting processes in the Western United States, ultimately contributing to the nation's decarbonization goals through low-risk, cost-effective commercial-scale carbon capture, utilization, and storage (CCUS) projects.

42 ENGINEERING↗
DOE OSTI2025

Respiration Signal Pattern Analysis for Doppler Radar Sensor with Passive Node and Its Application in Occupancy Sensing of a Stationary Subject

Doppler radar node occupancy sensors are promising for applications in smart buildings due to their simple circuits and price advantage compared to quadrature radar sensors. However, single-channel sensitivity limitations may result in low sensitivity and misinterpreted motion rates if the detected subject is at or close to “null” points. We designed and tested a novel method to eliminate such limits, demonstrating that passive nodes can be used to detect a sedentary person regardless of position. This method is based on characteristics of chest motion due to respiration, found via both simulations and experiments based on a sinusoidal model and a more realistic model of cardiorespiratory motion. In addition, respiratory rate variability is considered to distinguish a true human presence from a mechanical target. Sensor node data were collected simultaneously with an infrared camera system, which provided a respiration signal reference, to test the algorithm with 19 human subjects and a mechanical target. The results indicate that a human presence was detected with 100% accuracy and successfully differentiated from a mechanical target in a controlled environment. The developed method can greatly improve the occupancy detection accuracy of single-channel radar-based occupancy sensors and facilitate their adoption in smart building applications.

Song, Chenyan↗
DOE OSTI2021

Novel Protocol for Acute In Situ Ecotoxicity Test Using Native Crustaceans Applied to Groundwater Ecosystems

Current standardized laboratory test protocols use model species that have limitations to accurately assess native species responses to stressors. We developed and tested a novel acute in situ protocol for testing field-collected organisms. We used Asellus aquaticus and NaCl as a reference toxicant to test for the effects of location (laboratory vs. in situ), medium (synthetic vs. field water), substrate (presence vs. absence), and protocol replicability. We further tested the protocol using groundwater-adapted isopods: Proasellus assaforensis for the effect of location, P. cavaticus of medium and P.lusitanicus of substrate. Our results showed that A.aquaticus’ lethality obtained with the novel acute in situ protocol did not significantly differ from those from laboratory testing. However, laboratory tested P.assaforensis showed a higher sensitivity, suggesting that its acclimation to laboratory conditions might have pernicious effects. A. aquaticus and P. cavaticus showed a higher mortality using synthetic medium in situ and under laboratory conditions, which overestimated the stressor’s effect. Besides, substrate use had no significant effect. The novel acute in situ protocol allows the use of native species under realistic scenarios. It is particularly well adapted for assessing the risk of groundwater ecosystems but it can be applied to a wide range of ecosystems.

Castaño-Sánchez, Andrea↗
DOE OSTI2023

Scaling Wind Power Innovation Assessment for Rapid Energy Transition with Artificial Intelligence

Planning for energy system decarbonization requires new insights into the potential of renewable technologies, deployed at unprecedented scale, to meet urgent sustainability goals. However, limited scalability of current wind energy research tools restricts characterization of innovation impacts to isolated reference sites, challenging investment and decision making under rapid growth. We demonstrate the transformative potential of artificial intelligence (AI) to inform future technology advancement and energy systems design by leveraging a state-of-the-art surrogate model to conduct a series of fleet-wide wind plant layout optimizations for greater than 6,800 projected U.S. onshore buildout locations. We show how innovative wake steering technology can address an array of barriers to large-scale deployment and integration of wind power. Specifically, wake steering reduces required plant area by an average of 18% and could preserve upwards of 13,000 km2 for future greenfield deployment, potentially easing siting challenges associated with wind energy infrastructure. Further, by enabling reduced turbine spacing and increased energy production, flexible operations of wake steering improve levelized cost of energy, particularly for large plants and in land-constrained settings. Finally, optimizations that consider dynamic energy prices can deliver increased power production and revenue capture during high-value (often low-wind) periods, further bolstering plant economics. Our computationally efficient approach offers a pathway to accelerate nationwide geographic evaluation of innovative technologies.

graph neural networks↗
DOE OSTI2026

Dataset_for_Conserved_macromolecular_architecture_of_Poplar_secondary_cell_walls_revealed_by_ssNMR_and_atomistic_modeling

This dataset contains solid-state 13C NMR data and atomistic molecular dynamics simulation files supporting the study of nanoscale secondary cell wall architecture across 13 genetically diverse Populus trichocarpa genotypes grown under uniform greenhouse conditions in 13C-enriched CO2 atmospheres (~89% 13C enrichment).The dataset contains two collections of solid-state 13C NMR data. (1) 200 MHz data (Bruker Avance III HD, 4 mm HX probe, 10 kHz MAS): raw Bruker TopSpin experiment folders and DMFIT-exported ascii spectra for selective and non-selective 1D 13C-13C spin diffusion experiments (3000 ms mixing) used to quantify inter-polymer spatial proximities, and short-mixing (1 ms) reference spectra used for polymeric abundance quantification by spectral deconvolution. (2) 600 MHz data (Bruker Avance III, 1.6 mm PhoenixNMR HXY probe, 30 kHz MAS): raw Bruker TopSpin experiment folders containing 2D CORD, 2D CP-INADEQUATE, and 13C/1H relaxation (T1, T1rho) experiments for all 13 genotypes, with processed Excel workbooks per experiment type. Molecular dynamics simulation code, coordinate files, and analysis scripts (NAMD/CHARMM/Python) for six atomistic cell wall models are included. Summarized ssNMR data are compiled into a single excel file and subjected to statistical analysis. Multivariate analysis code (PCA, Pearson correlation) and summary data are provided as excel worksheets and Jupyter notebooks (Python 3).

09 BIOMASS FUELS↗
DOE OSTI2023

Derivation of a Multi-Species Mix Model

Multi-species flow takes place when two or more gases, plasmas or fluids are flowing and interacting with one another through particle collisions, chemical reactions, turbulence, and thermonuclear processes; this list is not exhaustive. It has a wide range of applications in geological, biological and engineering systems. In what follows species refers to different species of atoms or molecules that may or may not be partially or fully ionized. The interactions between these species takes place at an atomic or molecular level. The species are electrically neutral. These are very important points, because the coupling between species that are interacting on a mesoscale level or are immiscible would be very different than what is being considered in this work. In addition, in section 4, we present a heuristic argument to enhance the collisional mean free path to incorporate the effects of turbulent eddies by use of Prandtl’s assumption that the integral scale length of a turbulent boundary layer is proportional to the width of the turbulent layer. This leads to coupling terms that are non-Newtonian, because they are a function of the dynamics of the flow. It is also assumed that the turbulent stress terms are much smaller than the species partial pressures. This may be a good assumption if the species are hot, dense plasmas that exist in ICF targets.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Adaptive spectra-to-exposure conversion using ridge regularized polynomial response models

Real-time gamma spectra-to-exposure conversion in aerial and ground monitoring commonly relies on calibration-derived, detector- or system-specific conversion coefficients that are assumed to generalize across operational environments. In practice, deployment specific differences in spectral composition and transport conditions can introduce systematic bias relative to reference instruments, motivating methods that adapt coefficients using minimal field supervision while explicitly limiting overfitting. In this work, we present a conservative coefficient adaptation framework that updates a baseline polynomial energy-weighting function using ridge-regularized regression, with leave-one-out cross-validation (LOOCV) used to select the regularization strength. The findings support ridge-constrained minimal-supervision adaptation as a practical mechanism to suppress site-specific bias without destabilizing a calibration-derived baseline.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2026

Soil Water Retention and Hydraulic Conductivity Data and Model at Snodgrass Mountain in East River Watershed, Colorado 2020-2025

This data package includes soil water retention and hydraulic conductivity data and model fitting results from measurements of ex-situ soil samples and in-situ soil sensors at Snodgrass Mountain. Soil water retention curves (SWRC) characterize soil water content as a function of soil water potential. SWRC depends on soil texture and pore structure and can be used to describe the constraints on biogeochemical processes in terms of soil water availability. In this data package, the sample identification follows the format SG-X-Y, where SG refers to Snodgrass Mountain, X is the location identifier, and Y is the depth identifier at the same X (shallow Y=1). Specifically, SG-EHS is associated with ecohydrology sites under the East-Taylor Watershed Community Observatory Sites directory, and SG-ERTn (upslope n=1) are points along the Snodgrass electrical resistivity tomography transect not associated with the existing site names in the directory. The sample and location information can be found in metadata.csv. Sampling and Measurements Each sample falls into one of the three sampling methods – (1) intact cores, (2) repacked samples, or (3) soil sensors – and one of the two measurement methods – (a) laboratory or (b) in-situ. Both intact cores and repacked samples were measured using the laboratory methods, which include measurements of soil water potential (HYPROP & WP4C, METER), saturated (KSAT, METER) and unsaturated hydraulic conductivity (HYPROP). The in-situ method uses a pair of co-located soil sensors to measure volumetric water content (TEROS12, METER) and soil water potential (TEROS21, METER), and the hydraulic conductivity was not measured. In comparison, the laboratory methods progress from full saturation to dry conditions, and the in-situ method includes both dry-to-wet and wet-to-dry cycles. The sampling and measurement methods for each sample can be found in metadata.csv, and more information about the measurements is detailed in the Methods section below. Models Retention and hydraulic conductivity data were fitted with four van-Genuchten-type models (specified by “model_name” column in the files): (1) traditional constrained van Genuchten model (“vG_constrained”), (2) traditional unconstrained van Genuchten model (“vG_unconstrained”), (3) PDI-variant of the constrained van Genuchten model (“vG_constrained_PDI”), and (4) PDI-variant of the unconstrained van Genuchten model (“vG_unconstrained_PDI”). The difference between the constrained (1: n) and the unconstrained (2: n, m) van Genuchten models is the number of pore-size distribution parameters in the model equations, giving the unconstrained model more degrees of freedom when fitting the data. Between the traditional and the PDI-variant models, model fitting differs the most at the dry end of the measurements. The traditional models allow infinite suction at the residual water content (water content does not drop below residual water content), and the PDI-variant models enforce a soil water potential value of pF=6.8 (~ -630 MPa) at oven-dryness (water content reaches 0). The inclusion of the van-Genuchten-type models is due to their common application. If other retention models are required, users can access the data in data.csv for further data fitting. More information about the models can be found in the Methods section below. Fitting Tasks The model fitting can be categorized into three levels of tasks (specified by “fitting_task” column in the files). Level 1 (“fit_retention”) only includes retention data fitting (the only level available for the in-situ method). Level 2 (“fit_retention_conductivity”) includes both retention and hydraulic conductivity data fitting, and the saturated hydraulic conductivity (Ks, a parameter of the hydraulic conductivity functions) is fixed by the measurements from KSAT. Level 3 (“fit_retention_conductivity_Ks”) also includes both retention and hydraulic conductivity data fitting, but Ks is a fitted parameter without the constraints from KSAT measurements. Among the same retention models (e.g. vG_constrained models of the same sample), level 1 should produce the best retention data fitting. Level 2 should have the highest misfit of the retention and hydraulic conductivity data, because the retention and hydraulic conductivity functions share common model parameters, and the unsaturated hydraulic conductivity (HYPROP) data fitting is subject to Ks measured independently by KSAT. Level 3 should have mid-level misfits of the retention and hydraulic conductivity data. While level 3 fits the hydraulic conductivity data better than level 2, the fitted Ks value might be unreasonable due to the lack of constraints at the wet end of the measurements. General recommendation when using this data package: (1) Choice of sampling methods: Intact cores and in-situ soil sensors could be prioritized because these sampling methods are less destructive. While the repacked samples were packed to the target bulk density (estimated post-sampling, when sample volume was known), these samples had altered pore structures. Nevertheless, intact cores might suffer from sample gaps that would lead to overestimation of Ks (sample gaps can be inferred from the “soil_sample_volume” column in metadata.csv when the value is < 249). In-situ method also has higher uncertainty in characterizing the wet end of the SWRC because of sensor limitations and the difficulty in reaching full saturation under natural conditions. (2) Choice of fitting tasks: When only retention data is needed, level 1 (“fit_retention”) should be prioritized. When both retention and hydraulic conductivity data are needed, level 2 (“fit_retention_conductivity”) could be prioritized. (3) Choice of models: This could depend on what the downstream models call for. If no specific model is required, model misfit could be used as a ranking criterion. Model misfit values in terms of RMSE can be found in model_parameters.csv. The following files are included in this data package: (1) metadata.csv – This file includes the general information of each sample, including location (description, geocoordinates, elevation), sampling and measurements details (method, depth, time or period, volume, instruments), and soil physical properties (bulk density, saturated hydraulic conductivity, only applicable to physical soil samples). (2) data.csv – This file includes soil water potential, volumetric water content, and unsaturated hydraulic conductivity data of each sample. Column “instrument” specifies the instrument (HYPROP, WP4C, or TEROS) used to perform the measurements. (3) model_fit.csv – This file includes soil water potential, volumetric water content, and unsaturated hydraulic conductivity fitted from the four models and three fitting tasks. Column “model_name” specifies the retention model used, and “fitting_task” specifies the level of data fitting. Missing values indicate that the variable does not apply to that fitting task. (4) model_parameters.csv – This file includes the fitted model parameters, model misfits, and conventional water content thresholds (field capacity and wilting point) from the four models and three fitting tasks. Column “model_name” specifies the retention model used, and “fitting_task” specifies the level of data fitting. Missing values indicate that the parameter does not apply to that model and/or that fitting task. (5) data_Ks.csv – This file includes the saturated hydraulic conductivity measurements from KSAT. (6) /figure/*.png – This folder includes three quick visualizations of the data, retention model fitting results and misfits, and hydraulic conductivity model fitting results, misfits, and parameters. The model fitting results are separated by samples and fitting tasks and colored by models. Zoom-in required. (7) /hyprop/*.bdhx – This folder includes proprietary hyprop files that require the free Labros SoilView-Analysis (METER) to open. Users can explore data fitting using other retention models (i.e. Brooks-Corey, Fredlund-Xing, Kosugi, bimodal models). Be aware that Ks value is pre-entered under “Fitting tab, Conductivity functions parameters” for level 2 fitting. If the value is lost, please refer to metadata.csv under “Ks” column. (8) Six file-level metadata that summarize file, header, column, and variable information of all files. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

EARTH SCIENCE > LAND SURFACE > SOILS↗
DOE OSTI2021

How correlations change the magnetic structure factor of the kagome Hubbard model

The kagome Hubbard model (KHM) is a paradigmatic example of a frustrated two-dimensional model. While its strongly correlated regime, described by a Heisenberg model, is of topical interest due to its enigmatic prospective spin-liquid ground state, the weakly and moderately correlated regimes remain largely unexplored. Motivated by the rapidly growing number of metallic kagome materials (e.g., Mn 3 Sn, Fe 3 Sn 2 , FeSn, Co 3 Sn 2 S 2 , Gd 3 Ru 4 Al 12 , and AV 3 Sb 5 with A = K, Rb, Cs), here we study the respective regimes of the KHM by means of three complementary numerical methods: the dynamical mean-field theory, the dynamical vertex approximation, and determinant quantum Monte Carlo. In contrast to the archetypal square lattice, we find no tendencies toward magnetic ordering, as magnetic correlations remain short-range. Nevertheless, the magnetic correlations undergo a remarkable crossover as the system approaches the metal-to-insulator transition. The Mott transition itself does not affect the magnetic correlations. Our equal-time and dynamical structure factors can be used as a reference for inelastic neutron scattering experiments on the growing family of metallic kagome materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Multi-Temporal Predictive Modelling of Sorghum Biomass Using UAV-Based Hyperspectral and LiDAR Data

High-throughput phenotyping using high spatial, spectral, and temporal resolution remote sensing (RS) data has become a critical part of the plant breeding chain focused on reducing the time and cost of the selection process for the “best” genotypes with respect to the trait(s) of interest. In this paper, the potential of accurate and reliable sorghum biomass prediction using visible and near infrared (VNIR) and short-wave infrared (SWIR) hyperspectral data as well as light detection and ranging (LiDAR) data acquired by sensors mounted on UAV platforms is investigated. Predictive models are developed using classical regression-based machine learning methods for nine experiments conducted during the 2017 and 2018 growing seasons at the Agronomy Center for Research and Education (ACRE) at Purdue University, Indiana, USA. The impact of the regression method, data source, timing of RS and field-based biomass reference data acquisition, and the number of samples on the prediction results are investigated. R2 values for end-of-season biomass ranged from 0.64 to 0.89 for different experiments when features from all the data sources were included. Geometry-based features derived from the LiDAR point cloud to characterize plant structure and chemistry-based features extracted from hyperspectral data provided the most accurate predictions. Evaluation of the impact of the time of data acquisition during the growing season on the prediction results indicated that although the most accurate and reliable predictions of final biomass were achieved using remotely sensed data from mid-season to end-of-season, predictions in mid-season provided adequate results to differentiate between promising varieties for selection. The analysis of variance (ANOVA) of the accuracies of the predictive models showed that both the data source and regression method are important factors for a reliable prediction; however, the data source was more important with 69% significance, versus 28% significance for the regression method.

09 BIOMASS FUELS↗
DOE OSTI2025

Land of Opportunity: Potential for Renewable Energy on Federal Lands

Renewable energy (RE) in the United States has historically been deployed primarily on private lands, but the growing interest in RE development, generally across the country and specifically on federal lands, raises questions about the potential for RE on public lands. This study seeks to estimate RE technical potential on federal lands and project the amount of RE to be developed on federal lands under decarbonization scenarios for the contiguous United States. The study applied a combination of high-resolution geospatial analysis and power sector modeling and relied on multiple partner federal agencies and land administrators from the Bureau of Land Management, the U.S. Fish and Wildlife Service, the U.S. Forest Service, the U.S. Department of Defense, and the U.S. Department of Energy. In our reference siting access case, we estimate 44 million acres of federal land across the contiguous United States is potentially suitable for UPV development, which corresponds to a capacity technical potential of 5,750 gigawatts (GW) (Figure ES-1). Federal land area available for wind development is similar to UPV but wind’s generating capacity technical potential is lower (875 GW). The technical potential is estimated for two geothermal technologies, hydrothermal and enhanced geothermal systems (EGS), both of which have a smaller amount of federal land available for development (12 and 27 million acres, respectively). However, in terms of capacity, the technical potential for EGS (975 GW) is approximately equal to wind’s technical potential and there is an estimated 130 GW of hydrothermal potential. We also developed cases with more-limited land available for UPV and wind (for federal and non-federal lands) resulting in 96% reduction of wind capacity potential and 70% reduction for UPV. In a case with additional constraints applied to non-federal lands only (Limited Private), the overall (federal and non-federal) technical potential declines but the share of that technical potential on federal lands is higher than in the other siting cases. The technical potential is the maximum amount that could be developed, but only a small fraction would be developed or needed in the future. Across seven scenarios that achieve 100% carbon-free electricity by 2035, we estimate 26 GW to 270 GW of RE capacity could be deployed on federal lands by 2035. The three central scenarios have 51–84 GW of RE deployed by 2035 and requiring about 500,000 to 1,000,000 acres of total land area. Direct land consumption is less than total land use required, thus enabling co-use opportunities. The large technical potential estimates and the increasing deployment projections from the collection of scenarios show the opportunities for RE development on federal lands. Capturing these opportunities-while minimizing conflicts with other land uses, federal department or agency missions, and public interest, and simultaneously maximizing the economic, grid, and social value of the projects-would require collaborative planning among federal land administrators, grid planners, project developers, the public, and other stakeholders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

The Hawaii Meteorology, Energy and Transmission (MET) Toolkit

Reliable long-term resource adequacy and grid planning in Hawaii require precise, multi-decadal meteorological records. This paper introduces the Hawaii Meteorology, Energy and Transmission (MET) Toolkit, a 26-year (2000-2025) high-fidelity atmospheric dataset developed by the National Laboratory of the Rockies (NLR). We present a validation study of the underlying WRF model configurations, comparing the legacy MYNN PBL scheme against an alternative YSU formulation. Using vertical lidar profiles and surface buoy data, our analysis identified a foundational geometric distortion in the legacy NOW-23 Hawaii dataset caused by an incorrect grid projection. When evaluated on a corrected, zero-distortion grid, the YSU scheme demonstrated superior performance in bias and cRMSE compared to the legacy setup. To address these findings, the MET Toolkit has been re-produced as a unified 26-year record using the optimized YSU setup and corrected geometry. This dataset offers the Hawaii power sector a robust, validated, and homogenous reference for future grid resilience and energy integration.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Soil Water Retention and Hydraulic Conductivity Data and Model at Trail Creek in Taylor River Watershed, Colorado 2024-2025

This data package includes soil water retention and hydraulic conductivity data and model fitting results from measurements of ex-situ soil samples and in-situ soil sensors near Trail Creek. Soil water retention curves (SWRC) characterize soil water content as a function of soil water potential. SWRC depends on soil texture and pore structure and can be used to describe the constraints on biogeochemical processes in terms of soil water availability. In this data package, the sample identification follows the format TR-X-Y, where TR refers to Trail Creek, X is the treatment block identifier, and Y is the location identifier. Specifically, TR-ASCC1 is the control treatment block under the Adaptive Silviculture for Climate Change (ASCC) project, and TR-ASCC2 is the clear-cut treatment block. TR-ASCC-EHSn is associated with ecohydrology sites under the East-Taylor Watershed Community Observatory Sites directory, and TR-ASCC-ERTn (upslope n=1) are ecohydrology sites along the electrical resistivity tomography transects. The sample and location information can be found in metadata.csv, and the data from the soil sensors will be included in a future data version when the observation period becomes sufficiently long for data analysis. Sampling and Measurements Each sample falls into one of the two sampling methods – (1) intact cores or (2) soil sensors – and one of the two measurement methods – (a) laboratory or (b) in-situ. The intact cores were measured using the laboratory methods, which include measurements of soil water potential (HYPROP & WP4C, METER), saturated (KSAT, METER) and unsaturated hydraulic conductivity (HYPROP). The in-situ method uses a pair of co-located soil sensors to measure volumetric water content (TEROS12, METER) and soil water potential (TEROS21, METER), and the hydraulic conductivity was not measured. In comparison, the laboratory methods progress from full saturation to dry conditions, and the in-situ method includes both dry-to-wet and wet-to-dry cycles. The sampling and measurement methods for each sample can be found in metadata.csv, and more information about the measurements is detailed in the Methods section below. Models Retention and hydraulic conductivity data were fitted with four van-Genuchten-type models (specified by “model_name” column in the files): (1) traditional constrained van Genuchten model (“vG_constrained”), (2) traditional unconstrained van Genuchten model (“vG_unconstrained”), (3) PDI-variant of the constrained van Genuchten model (“vG_constrained_PDI”), and (4) PDI-variant of the unconstrained van Genuchten model (“vG_unconstrained_PDI”). The difference between the constrained (1: n) and the unconstrained (2: n, m) van Genuchten models is the number of pore-size distribution parameters in the model equations, giving the unconstrained model more degrees of freedom when fitting the data. Between the traditional and the PDI-variant models, model fitting differs the most at the dry end of the measurements. The traditional models allow infinite suction at the residual water content (water content does not drop below residual water content), and the PDI-variant models enforce a soil water potential value of pF=6.8 (~ -630 MPa) at oven-dryness (water content reaches 0). The inclusion of the van-Genuchten-type models is due to their common application. If other retention models are required, users can access the data in data.csv for further data fitting. More information about the models can be found in the Methods section below. Fitting Tasks The model fitting can be categorized into three levels of tasks (specified by “fitting_task” column in the files). Level 1 (“fit_retention”) only includes retention data fitting (the only level available for the in-situ method). Level 2 (“fit_retention_conductivity”) includes both retention and hydraulic conductivity data fitting, and the saturated hydraulic conductivity (Ks, a parameter of the hydraulic conductivity functions) is fixed by the measurements from KSAT. Level 3 (“fit_retention_conductivity_Ks”) also includes both retention and hydraulic conductivity data fitting, but Ks is a fitted parameter without the constraints from KSAT measurements. Among the same retention models (e.g. vG_constrained models of the same sample), level 1 should produce the best retention data fitting. Level 2 should have the highest misfit of the retention and hydraulic conductivity data, because the retention and hydraulic conductivity functions share common model parameters, and the unsaturated hydraulic conductivity (HYPROP) data fitting is subject to Ks measured independently by KSAT. Level 3 should have mid-level misfits of the retention and hydraulic conductivity data. While level 3 fits the hydraulic conductivity data better than level 2, the fitted Ks value might be unreasonable due to the lack of constraints at the wet end of the measurements. General recommendation when using this data package: (1) Choice of sampling methods: Intact cores might suffer from sample gaps that would lead to overestimation of Ks (sample gaps can be inferred from the “soil_sample_volume” column in metadata.csv when the value is < 249). In-situ method has higher uncertainty in characterizing the wet end of the SWRC because of sensor limitations and the difficulty in reaching full saturation under natural conditions. (2) Choice of fitting tasks: When only retention data is needed, level 1 (“fit_retention”) should be prioritized. When both retention and hydraulic conductivity data are needed, level 2 (“fit_retention_conductivity”) could be prioritized. (3) Choice of models: This could depend on what the downstream models call for. If no specific model is required, model misfit could be used as a ranking criterion. Model misfit values in terms of RMSE can be found in model_parameters.csv. The following files are included in this data package: (1) metadata.csv – This file includes the general information of each sample, including location (description, geocoordinates, elevation), sampling and measurements details (method, depth, time or period, volume, instruments), and soil physical properties (bulk density, saturated hydraulic conductivity, only applicable to physical soil samples). (2) data.csv – This file includes soil water potential, volumetric water content, and unsaturated hydraulic conductivity data of each sample. Column “instrument” specifies the instrument (HYPROP, WP4C, or TEROS) used to perform the measurements. (3) model_fit.csv – This file includes soil water potential, volumetric water content, and unsaturated hydraulic conductivity fitted from the four models and three fitting tasks. Column “model_name” specifies the retention model used, and “fitting_task” specifies the level of data fitting. Missing values indicate that the variable does not apply to that fitting task. (4) model_parameters.csv – This file includes the fitted model parameters, model misfits, and conventional water content thresholds (field capacity and wilting point) from the four models and three fitting tasks. Column “model_name” specifies the retention model used, and “fitting_task” specifies the level of data fitting. Missing values indicate that the parameter does not apply to that model and/or that fitting task. (5) data_Ks.csv – This file includes the saturated hydraulic conductivity measurements from KSAT. (6) /figure/*.png – This folder includes three quick visualizations of the data, retention model fitting results and misfits, and hydraulic conductivity model fitting results, misfits, and parameters. The model fitting results are separated by samples and fitting tasks and colored by models. Zoom-in required. (7) /hyprop/*.bdhx – This folder includes proprietary hyprop files that require the free Labros SoilView-Analysis (METER) to open. Users can explore data fitting using other retention models (i.e. Brooks-Corey, Fredlund-Xing, Kosugi, bimodal models). Be aware that Ks value is pre-entered under “Fitting tab, Conductivity functions parameters” for level 2 fitting. If the value is lost, please refer to metadata.csv under “Ks” column. (8) Six file-level metadata that summarize file, header, column, and variable information of all files. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

EARTH SCIENCE > LAND SURFACE > SOILS↗
DOE OSTI2025

Machine-learning and first-principles investigation of lightweight medium-entropy alloys for hydrogen-storage applications

The transition to a low-carbon economy demands efficient and sustainable energy-storage solutions, with hydrogen emerging as a promising clean-energy carrier and with metal hydrides recognized for their hydrogen-storage capacity. Here, we leverage machine learning (ML) to predict hydrogen-to-metal (H/M) ratios and solution energy by incorporating thermodynamic parameters and local lattice distortion (LLD) as key features. Our best-performing ML model provides improvements to H/M ratios and solution energies over a broad class of medium-entripy alloys (easily extendable to multi-principal-element alloys), such as Ti–Nb-X (X = Mo, Cr, Hf, Ta, V, Zr) and Co–Ni-X (X = Al, Mg, V). Ti–Nb–Mo alloys reveal compositional effects in H-storage behavior, in particular Ti, Nb, and V enhance H-storage capacity, while Mo reduces H/M and hydrogen weight percent by 40–50 %. We attributed results in molybdenum-rich alloys to slow hydrogen kinetics, as validated by our pressure-composition-temperature (PCT) isotherm experiments on pure Ti and Ti 5 Mo 95 alloys. Density functional theory (DFT) and molecular dynamics (MD) simulations also confirm that Ti and Nb promote H diffusion, whereas Mo hinders it, highlighting the interplay between electronic structure, lattice distortions, and hydrogen uptake. Notably, our Gradient Boosting Regression model identifies LLD as a critical factor in H/M predictions. Here, to aid material selection, we present two periodic tables illustrating elemental effects on (a) H 2 wt% and (b) solution energy, derived from ML, and provide a reference for identifying alloying elements that enhance hydrogen solubility and storage.

08 HYDROGEN↗