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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Data, model inputs, and analysis scripts associated with a manuscript on stream intermittency controls across spatial scales in Pacific Northwest watersheds

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript "Hydroclimatic Memory and Watershed Template Shape Stream Intermittency: Multi-scale Attribution Using Process-based Simulation and Explainable ML" by Niroula et al. (2026), submitted to Water Resources Research (WRR). The study investigates the dominant controls on stream intermittency across local, reach, and watershed scales using a coupled process-based simulation and explainable machine-learning framework. Long-term daily simulations from the Advanced Terrestrial Simulator (ATS) were used to generate wetness states and ponded-depth responses over river-corridor cells. These ATS outputs were then aggregated across scales and used to train XGBoost (eXtreme Gradient Boosting) models. SHAP (SHapley Additive exPlanations) was applied to quantify the relative importance of hydroclimatic forcings, watershed template attributes, and antecedent-memory effects in shaping intermittency behavior. The analysis is carried out for three contrasting Pacific Northwest watersheds: Oak Creek (OCW), American River Watershed (ARW), and H.J. Andrews (HJA). Across these testbeds, the package contains ATS-ready watershed inputs, ATS run configuration and selected output files, model-evaluation data products, intermittency-analysis datasets, machine-learning target-feature tables, SHAP outputs, and notebooks used to organize, analyze, and visualize results. At a high level, the package documents a workflow in which ATS provides the physically based simulation backbone and explainable machine learning is used as a post-processing attribution tool. The contents are intended to support interpretation of the manuscript figures and results, provide context for how intermittency metrics were generated at multiple scales, and preserve the key artifacts needed to understand and reuse the analysis workflow. The package contains a high-level directory summary file (`summary.txt`) and four main content folders (1) `evaluation_plots` contains evaluation figures and supporting evaluation datasets; (2) `intermittency_plots` contains intermittency-focused analysis notebook and prepared datasets; (3) `ml-training-and-shap_values_plots` contains ML training inputs, SHAP outputs, and figure-generation notebooks; and (4) `watershed_mesh_and_ats_input` contains ATS model setup materials, forcing inputs, geometry, and selected run files. More specifically, the `evaluation_plots` folder contains the notebook used for ATS evaluation plotting and site-specific evaluation datasets. These include evapotranspiration and water-balance products for three watersheds, as well as an Oak Creek field-measurement discharge file. The `intermittency_plots` folder contains the notebook used for intermittency analysis and the prepared datasets used to analyze intermittent and non-intermittent wetness behavior across the study watersheds. The `ml-training-and-shap_values_plots` folder contains notebooks and outputs for the machine-learning and explainability workflow. This includes the main XGBoost and SHAP notebook(s), a beeswarm plotting notebook, target-feature tables for machine-learning training, SHAP summary tables, and per-sample SHAP value archives. The `watershed_mesh_and_ats_input` folder contains ATS-related watershed inputs and supporting materials. This includes mesh and shape products, ATS-readable LAI and meteorological forcing inputs, selected ATS spinup and transient-run files, and a watershed workflow example notebook. Subdirectories are organized by watershed where applicable.All files are .cpg (codepage files), .csv (comma-separated values), .dbf (database files), .exo (Exodus mesh format), .h5 (HDF5 format), .ipynb (Jupyter notebooks), .pkl (Python pickle), .prj (projection files), .sh (shell scripts), .shp (shapefile geometry), .shx (shapefile index), .txt (text files), or .xml (markup data).

Advanced Terrestrial Simulator↗
DOE OSTI2018

Oklahoma Wellbore Rasters

Seven raster surfaces generated from wellbore information that are thought to influence fluid and or gas migration in the subsurface. Wellbore information was originally retrieved from the IHS Energy Group (current as of April 2015), which is a proprietary, commercial database containing information for most oil and gas wells in the U.S. Processing of wellbore information into gridded cells was performed to provide a graphic solution to overcome the problem of displaying proprietary well data. No proprietary data are displayed or included in the cell maps. These rasters were developed to serve as inputs to the SIMPA (Spatially Weighted Multivariate Probabilistic Assessment) tool. Each raster surface is a derivative product of wellbore dataset. Each raster represents a single wellbore attribute or combination of attributes that speak to the following wellbore characteristics: number of recompletions, year spud, year abandoned, year completed, number of abandoned wells, hole direction, switch from production to injection. The original wellbore information, retrieved from the IHS Energy Group, are in the form of points – these derivative rasters aggregate point attributes to approximately 1,000-meter resolution grid cells. Each raster only includes cells that contain wellbores with the characteristics represented in each surface (i.e. if the wellbores in a given cell have no year abandoned data, the cell is not included in the raster). Since the raster cells combine data from multiple points in many cases, methods such as the average, minimum, and count are used to summarize the information in each cell. The specific operations used to develop each raster are detailed in its metadata.

Abandoned↗
DOE OSTI2023

WELLS Database

The Wellbore Exploration and Location Logistic System (WELLS) is a living national wellbore database - created and maintained by the National Energy Technology Laboratory (NETL). This resource contains more than seven million public wellbore records from state, federal, and tribal resources. Sourced from over 65 authoritative, yet disparate resources, the WELLS Database combines and synthesizes well data from oil, gas, underground injection, research, geothermal, geotechnical, groundwater and other types of wells in a single, unified system. This resource can be explored and visualized through the WELLS Interactive Application, also on EDX: https://edx.netl.doe.gov/dataset/wells-interactive-application The WELLS Database (formerly titled CO2-Locate) is an integrated national well dataset, representing open-source wellbore data from disparate state, tribal, and federal entities. The database provides publicly available well header data with key attributes such as well age, depth, and status. The database contains a fully integrated CSV file with all values in numerical columns, such as depth, converted into numbers. This version has a NETL derived API (American Petroleum Institute) number column and has been handled for redundancies, resulting in one record for every unique API number. The database also contains a fully integrated CSV file, where all original data are kept as text values. Additionally, the database includes a shapefile containing key attributes and coordinates from the integrated dataset, reformatted public wells CSV files, and a proprietary well density grid shapefile. Notes for consideration: The WELLS Database will be updated periodically with new datasets and information. A field dictionary with field (i.e., attribute) coverage across acquired public well resources, and the resulting integrated public well datasets are available in the spreadsheet, WELLS_Field_Dictionary.xlsx. Summary layers provided in this database are derived from proprietary layers and do not always contain key features (status, type, true vertical depth, or spud year) and therefore might not be shown when data are queried for those features.

AS↗
DOE OSTI2014

New Stream-reach Development: A Comprehensive Assessment of Hydropower Energy Potential in the United States

The rapid development of multiple national geospatial datasets related to topography, hydrology, and environmental characteristics in the past decade have provided new opportunities for the refinement of hydropower resource potential from undeveloped stream-reaches. Through 2011 to 2013, the Oak Ridge National Laboratory (ORNL) was tasked by the Department of Energy (DOE) Water Power Program to evaluate the new stream-reach development (NSD) resource potential for more than 3 million US streams. A methodology was designed that contains three main components: (1) identification of stream-reaches with high energy density, (2) topographical analysis of stream-reaches to estimate inundated surface area and reservoir storage, and (3) environmental attribution to spatially join information related to the natural ecological systems, social and cultural settings, policies, management, and legal constraints to stream-reaches of energy potential. An initial report on methodology (Hadjerioua et al., 2013) was later reviewed and revised based on the comments gathered from two peer review workshops.After implementing the assessment across the entire United States, major findings were summarized in this final report. The estimated NSD capacity and generation, including both higher-energy-density (>1 MW per reach) and lower-energy-density (<1 MW per reach) stream-reaches is 84.7 GW, around the same size as the existing US conventional hydropower nameplate capacity (79.5 GW; NHAAP, 2013). In terms of energy, the total undeveloped NSD generation is estimated to be 460 TWh/year, around 169% of average 2002–2011 net annual generation from existing conventional hydropower plants (272 TWh/year; EIA, 2013). Given the run-of-river assumption, NSD stream-reaches have higher capacity factors (53–71%), especially compared with conventional larger-storage peaking-operation projects that usually have capacity factors of around 30%. The highest potential is identified in the Pacific Northwest Region (32%), followed by Missouri Region (15%) and California Region (9%). In terms of states, the highest potential is found in Oregon, Washington, and Idaho, the three states in the Pacific Northwest, followed by California, Alaska, Montana, and Colorado. In addition to the resource potential, abundant environmental attributes were also organized and attributed to the identified stream-reaches to support further hydropower market analysis. The prevalence of environmental variables and proportion of capacity from stream-reaches intersecting environmental variables varied according to hydrologic region. Detailed NSD findings are organized by hydrologic regions and presented in each chapter of this report.

Kao, Shih-Chieh↗
DOE OSTI2014

Baseline Concept Description of a Small Modular High Temperature Reactor

The objective of this report is to provide a description of generic small modular high temperature reactors (herein denoted as an smHTR), summarize their distinguishing attributes, and lay out the research and development (R&D) required for commercialization. The generic concepts rely heavily on the modular high temperature gas-cooled reactor designs developed in the 1980s which were never built but for which pre-licensing or certification activities were conducted. The concept matured more recently under the Next Generation Nuclear Plant (NGNP) project, specifically in the areas of fuel and material qualification, methods development, and licensing. As all vendor-specific designs proposed under NGNP were all both ‘small’ or medium-sized and ‘modular’ by International Atomic Energy Agency (IAEA) and Department of Energy (DOE) standards, the technical attributes, challenges, and R&D needs identified, addressed, and documented under NGNP are valid and appropriate in the context of Small Modular Reactor (SMR) applications. Although the term High Temperature Reactor (HTR) is commonly used to denote graphite-moderated, thermal spectrum reactors with coolant temperatures in excess of 650oC at the core outlet, in this report the historical term High Temperature Gas-Cooled Reactor (HTGR) will be used to distinguish the gas-cooled technology described herein from its liquid salt-cooled cousin. Moreover, in this report it is to be understood that the outlet temperature of the helium in an HTGR has an upper limit of 950 degrees C which corresponds to the temperature to which certain alloys are currently being qualified under DOE’s ARC program. Although similar to the HTGR in just about every respect, the Very High Temperature Reactor (VHTR) may have an outlet temperature in excess of 950 degrees C and is therefore farther from commercialization because of the challenges posed to materials exposed to these temperatures. The VHTR is the focus of R&D under the Generation IV program and its specific R&D needs will be included in this report when appropriate for comparison. The distinguishing features of the HTGR are the refractory (TRISO) coated particle fuel, the low-power density, graphite-moderated core, and the high outlet temperature of the inert helium coolant. The low power density and fuel form effectively eliminate the possibility of core melt, even upon a complete loss of coolant pressure and flow. The graphite, which constitutes the bulk of the core volume and mass, provides a large thermal buffer that absorbs fission heat such that thermal transients occur over a timespan of hours or even days. As chemically-inert helium is already a gas, there is no coolant temperature or void feedback on the neutronics and no phase change or corrosion product that could degrade heat transfer. Furthermore, the particle coatings and interstitial graphite retain fission products such that the source terms at the plant boundary remain well below actionable levels under all anticipated nominal and off-normal operating conditions. These attributes enable the reactor to supply process heat to a collocated industrial plant with negligible risk of contamination and minimal dynamic coupling of the facilities. The exceptional retentive properties of coated particle fuel in a graphite matrix were first demonstrated in the DRAGON reactor, a European research facility that began operation in 1964.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Baseline Concept Description of a Small Modular High Temperature Reactor

The objective of this report is to provide a description of generic small modular high temperature reactors (herein denoted as an smHTR), summarize their distinguishing attributes, and lay out the research and development (R&D) required for commercialization. The generic concepts rely heavily on the modular high temperature gas-cooled reactor designs developed in the 1980s which were never built but for which pre-licensing or certification activities were conducted. The concept matured more recently under the Next Generation Nuclear Plant (NGNP) project, specifically in the areas of fuel and material qualification, methods development, and licensing. As all vendor-specific designs proposed under NGNP were all both ‘small’ or medium-sized and ‘modular’ by International Atomic Energy Agency (IAEA) and Department of Energy (DOE) standards, the technical attributes, challenges, and R&D needs identified, addressed, and documented under NGNP are valid and appropriate in the context of Small Modular Reactor (SMR) applications. Although the term High Temperature Reactor (HTR) is commonly used to denote graphite-moderated, thermal spectrum reactors with coolant temperatures in excess of 650oC at the core outlet, in this report the historical term High Temperature Gas-Cooled Reactor (HTGR) will be used to distinguish the gas-cooled technology described herein from its liquid salt-cooled cousin. Moreover, in this report it is to be understood that the outlet temperature of the helium in an HTGR has an upper limit of 950 degrees C which corresponds to the temperature to which certain alloys are currently being qualified under DOE’s ARC program. Although similar to the HTGR in just about every respect, the Very High Temperature Reactor (VHTR) may have an outlet temperature in excess of 950 degrees C and is therefore farther from commercialization because of the challenges posed to materials exposed to these temperatures. The VHTR is the focus of R&D under the Generation IV program and its specific R&D needs will be included in this report when appropriate for comparison. The distinguishing features of the HTGR are the refractory (TRISO) coated particle fuel, the low-power density, graphite-moderated core, and the high outlet temperature of the inert helium coolant. The low power density and fuel form effectively eliminate the possibility of core melt, even upon a complete loss of coolant pressure and flow. The graphite, which constitutes the bulk of the core volume and mass, provides a large thermal buffer that absorbs fission heat such that thermal transients occur over a timespan of hours or even days. As chemically-inert helium is already a gas, there is no coolant temperature or void feedback on the neutronics and no phase change or corrosion product that could degrade heat transfer. Furthermore, the particle coatings and interstitial graphite retain fission products such that the source terms at the plant boundary remain well below actionable levels under all anticipated nominal and off-normal operating conditions. These attributes enable the reactor to supply process heat to a collocated industrial plant with negligible risk of contamination and minimal dynamic coupling of the facilities (Figure 1). The exceptional retentive properties of coated particle fuel in a graphite matrix were first demonstrated in the DRAGON reactor, a European research facility that began operation in 1964.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Baseline Concept Description of a Small Modular High Temperature Reactor

The objective of this report is to provide a description of generic small modular high temperature reactors (herein denoted as an smHTR), summarize their distinguishing attributes, and lay out the research and development (R&D) required for commercialization. The generic concepts rely heavily on the modular high temperature gas-cooled reactor designs developed in the 1980s which were never built but for which pre-licensing or certification activities were conducted. The concept matured more recently under the Next Generation Nuclear Plant (NGNP) project, specifically in the areas of fuel and material qualification, methods development, and licensing. As all vendor-specific designs proposed under NGNP were all both ‘small’ or medium-sized and ‘modular’ by International Atomic Energy Agency (IAEA) and Department of Energy (DOE) standards, the technical attributes, challenges, and R&D needs identified, addressed, and documented under NGNP are valid and appropriate in the context of Small Modular Reactor (SMR) applications. Although the term High Temperature Reactor (HTR) is commonly used to denote graphite-moderated, thermal spectrum reactors with coolant temperatures in excess of 650oC at the core outlet, in this report the historical term High Temperature Gas-Cooled Reactor (HTGR) will be used to distinguish the gas-cooled technology described herein from its liquid salt-cooled cousin. Moreover, in this report it is to be understood that the outlet temperature of the helium in an HTGR has an upper limit of 950 degrees C which corresponds to the temperature to which certain alloys are currently being qualified under DOE’s ARC program. Although similar to the HTGR in just about every respect, the Very High Temperature Reactor (VHTR) may have an outlet temperature in excess of 950 degrees C and is therefore farther from commercialization because of the challenges posed to materials exposed to these temperatures. The VHTR is the focus of R&D under the Generation IV program and its specific R&D needs will be included in this report when appropriate for comparison. The distinguishing features of the HTGR are the refractory (TRISO) coated particle fuel, the low-power density, graphite-moderated core, and the high outlet temperature of the inert helium coolant. The low power density and fuel form effectively eliminate the possibility of core melt, even upon a complete loss of coolant pressure and flow. The graphite, which constitutes the bulk of the core volume and mass, provides a large thermal buffer that absorbs fission heat such that thermal transients occur over a timespan of hours or even days. As chemically-inert helium is already a gas, there is no coolant temperature or void feedback on the neutronics and no phase change or corrosion product that could degrade heat transfer. Furthermore, the particle coatings and interstitial graphite retain fission products such that the source terms at the plant boundary remain well below actionable levels under all anticipated nominal and off-normal operating conditions. These attributes enable the reactor to supply process heat to a collocated industrial plant with negligible risk of contamination and minimal dynamic coupling of the facilities (Figure 1). The exceptional retentive properties of coated particle fuel in a graphite matrix were first demonstrated in the DRAGON reactor, a European research facility that began operation in 1964.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Considerations of the Differences between Bedded and Domal Salt Pertaining to Disposal of Heat-Generating Nuclear Waste

Salt formations hold promise for eternal removal of nuclear waste from our biosphere. Germany and the United States have ample salt formations for this purpose, ranging from flat-bedded formations to geologically mature dome structures. As both nations revisit nuclear waste disposal options, the choice between bedded, domal, or intermediate pillow formations is once again a contemporary issue. For decades, favorable attributes of salt as a disposal medium have been extoled and evaluated, carefully and thoroughly. Yet, a sense of discovery continues as science and engineering interrogate naturally heterogeneous systems. Salt formations are impermeable to fluids. Excavation-induced fractures heal as seal systems are placed or natural closure progresses toward equilibrium. Engineering required for nuclear waste disposal gains from mining and storage industries, as humans have been mining salt for millennia. This great intellectual warehouse has been honed and distilled, but not perfected, for all nuances of nuclear waste disposal. Nonetheless, nations are able and have already produced suitable license applications for radioactive waste disposal in salt. A remaining conundrum is site location. Salt formations provide isolation and geotechnical barriers reestablish impermeability after waste is placed in the geology. Between excavation and closure, physical, mechanical, thermal, chemical, and hydrological processes ensue. Positive attributes for isolation in salt have many commonalities independent of the geologic setting. In some cases, specific details of the environment will affect the disposal concept and thereby define interaction of features, events and processes, while simultaneously influencing scenario development. Here we identify and discuss high-level differences and similarities of bedded and domal salt formations. Positive geologic and engineering attributes for disposal purposes are more common among salt formations than are significant differences. Developing models, testing material, characterizing processes, and analyzing performance all have overlapping application regardless of the salt formation of interest.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Considerations of the Differences between Bedded and Domal Salt Pertaining to Disposal of Heat-Generating Nuclear Waste

Salt formations hold promise for eternal removal of nuclear waste from our biosphere. Germany and the United States have ample salt formations for this purpose, ranging from flat-bedded formations to geologically mature dome structures. As both nations revisit nuclear waste disposal options, the choice between bedded, domal, or intermediate pillow formations is once again a contemporary issue. For decades, favorable attributes of salt as a disposal medium have been extoled and evaluated, carefully and thoroughly. Yet, a sense of discovery continues as science and engineering interrogate naturally heterogeneous systems. Salt formations are impermeable to fluids. Excavation-induced fractures heal as seal systems are placed or natural closure progresses toward equilibrium. Engineering required for nuclear waste disposal gains from mining and storage industries, as humans have been mining salt for millennia. This great intellectual warehouse has been honed and distilled, but not perfected, for all nuances of nuclear waste disposal. Nonetheless, nations are able and have already produced suitable license applications for radioactive waste disposal in salt. A remaining conundrum is site location. Salt formations provide isolation, and geotechnical barriers reestablish impermeability after waste is placed in the geology. Between excavation and closure, physical, mechanical, thermal, chemical, and hydrological processes ensue. Positive attributes for isolation in salt have many commonalities independent of the geologic setting. In some cases, specific details of the environment will affect the disposal concept and thereby define interaction of features, events and processes, while simultaneously influencing scenario development. Here we identify and discuss high-level differences and similarities of bedded and domal salt formations. Positive geologic and engineering attributes for disposal purposes are more common among salt formations than are significant differences. Developing models, testing material, characterizing processes, and analyzing performance all have overlapping application regardless of the salt formation of interest.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Building Protection Against External Ionizing Fallout Radiation

A nuclear explosion has the potential to injure or kill tens to hundreds of thousands of people through exposure to fallout (external gamma) radiation. Existing buildings can protect their occupants (reducing external radiation exposures) by placing material and distance between fallout particles and indoor individuals. This protection is not well captured in current fallout risk assessment models and so the US Department of Defense is implementing the Regional Shelter Analysis methodology to improve the ability of the Hazard Prediction and Assessment Capability (HPAC) model to account for building protection. This report supports the HPAC improvement effort by identifying a set of building attributes (next page) that, when collectively specified, are sufficient to calculate reasonably accurate, i.e., within a factor of 2, fallout shelter quality estimates for many individual buildings. The set of building attributes were determined by first identifying the key physics controlling building protection from fallout radiation and then assessing which building attributes are relevant to the identified physics. This approach was evaluated by developing a screening model (PFscreen) based on the identified physics and comparing the screening model results against the set of existing independent experimental, theoretical, and modeled building protection estimates. In the interests of transparency, we have developed a benchmark dataset containing (a) most of the relevant primary experimental data published by prior generations of fallout protection scientists as well as (b) the screening model results.

42 ENGINEERING↗
DOE OSTI2017

Marginal Cost Pricing in a World without Perfect Competition: Implications for Electricity Markets with High Shares of Low Marginal Cost Resources

A common approach to regulating electricity is through auction-based competitive wholesale markets. The goal of this approach is to provide a reliable supply of power at the lowest reasonable cost to the consumer. This necessitates market structures and operating rules that ensure revenue sufficiency for all generators needed for resource adequacy purposes. Wholesale electricity markets employ marginal-cost pricing to provide cost-effective dispatch such that resources are compensated for their operational costs. However, marginal-cost pricing alone cannot guarantee cost recovery outside of perfect competition, and electricity markets have at least six attributes that preclude them from functioning as perfectly competitive markets. These attributes include market power, externalities, public good attributes, lack of storage, wholesale price caps, and ineffective demand curve. Until (and unless) these failures are ameliorated, some form of corrective action(s) will be necessary to improve market efficiency so that prices can correctly reflect the needed level of system reliability. Many of these options necessarily involve some form of administrative or out-of-market actions, such as scarcity pricing, capacity payments, bilateral or other out-of-market contracts, or some hybrid combination. A key focus with these options is to create a connection between the electricity market and long-term reliability/loss-of-load expectation targets, which are inherently disconnected in the native markets because of the aforementioned market failures. The addition of variable generation resources can exacerbate revenue sufficiency and resource adequacy concerns caused by these underlying market failures. Because variable generation resources have near-zero marginal costs, they effectively suppress energy prices and reduce the capacity factors of conventional generators through the merit-order effect in the simplest case of a convex market; non-convexities can also suppress prices.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Advanced Gas Hydrate Reservoir Modeling Using Rock Physics

Prospecting for high saturation gas hydrate deposits can be greatly aided with improved approaches to seismic interpretation and especially if sets of seismic attributes can be shown as diagnostic or direct hydrocarbon indicators for high saturation gas hydrates in sands that would be of most interest for gas hydrate production. A large 3D seismic data set in the deep water Eastern Gulf of Mexico was screened for gas hydrates using a set of techniques and seismic signatures that were developed and proven in the Central deepwater Gulf of Mexico in the DOE Gulf of Mexico Joint Industry Project JIP Leg II in 2009 and recently confirmed with coring in 2017. A large gas hydrate deposit is interpreted in the data where gas has migrated from one of the few deep seated faults plumbing the Jurassic hydrocarbon source into the gas hydrate stability zone. The gas hydrate deposit lies within a flat-lying within Pliocene Mississippi Fan channel that was deposited outboard in a deep abyssal environment. The uniform architecture of the channel aided the evaluation of a set of seismic attributes that relate to attenuation and thin-bed energy that could be diagnostic of gas hydrates. Frequency attributes derived from spectral decomposition also proved to be direct hydrocarbon indicators by pseudo-thickness that could be only be reconciled by substituting gas hydrate in the pore space. The study emphasizes that gas hydrate exploration and reservoir characterization benefits from a seismic thin bed approach.

03 NATURAL GAS↗
DOE OSTI2019

GeoRePORT Protocol Volume II: Geological Assessment Tool

The attributes used by this protocol to describe a geothermal resource include the constraints on the quality of the geothermal resource as well as the technical and socio-economic characteristics that determine whether the heat can be produced. Attributes controlled by the structural, geophysical, geochemical, and hydrological constraints are important in describing the geological grade of a geothermal system. Other attributes important to the feasibility of extracting the geothermal resource due to technical, or socio-economic barriers are addressed in the Technical Assessment Tool and Socio-Economic Assessment Tool documents, respectively.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Process Image Analysis using Big Data, Machine Learning, and Computer Vision

The development of algorithms for machine learning and data analysis for the 3013 MIS corrosion surveillance program is a collaborative effort by SRNL, USC and GT. For corrosion detection, LCM image data is extracted from large binary files, with software written to convert the data to physical attributes (i.e. height, color and grayscale values; all as functions of a location in a plane projection). The user interface for the software permits selective downloading of binary data and interrogation of attributes. User input thresholds are used to flag attributes of interest. Machine learning algorithms, developed for this application, are used to determine whether the features are the result of corrosion. To address the fundamental mechanisms of corrosion, machine learning algorithms are being developed to derive interatomic potential force-fields from ab-initio DFT calculations. The goal is to apply molecular modeling on a large enough scale to guide the design of resistant materials.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Understanding and Overcoming Water-induced Interfacial Degradation in Si Modules (Final Technical Report)

Moisture ingress is an established issue for photovoltaic module durability. Durability studies probing moisture effects typically evaluate performance losses at the module level, attributing global power losses to the overall humidity condition of the test environment while leaving local module behavior unknown. This project successfully develops an in situ short-wave infrared probe of moisture content in PV modules with demonstrated detection limits better than 100 ppm in EVA-encapsulated Al-BSF and PERC architectures (66 µg/cm3) and applicability across the range of terrestrial conditions. Combining this optical moisture quantification method (water reflectometry detection, WaRD) with peel testing of interfaces, biased photoluminescence imaging of performance, and first principles computation, we correlate module moisture content and cell performance over the course of accelerated damp heat tests. By performing multi-level humidity and thermal accelerated testing over thousands of hours (0, 65 and 85% RH and 25, 65, and 85°C), we are able to attribute effects of individual environmental stresses and the dependence on module architecture. Using first-principles computational chemistry, we find that the decomposition of EVA to acetic acid (Norrish II) is thermodynamically preferred over a pathway to acetaldehyde (Norrish I), elucidating the underlying chemistry of encapsulant degradation. We also find it is likely that water segregates to the stable interfaces of the cell, especially the SiNx/EVA interface. We find that moisture is strongly correlated with reduction in adhesion at the interfaces of the cells, particularly at Ag fingers. We show uniquely that the peel strength required to delaminate the encapsulant from the front of the cell depends not only on the exposure to a high heat and humid environment, but also to the moisture content during the mechanical testing, indicating an important interaction between when mechanical stresses are faced in terms of the moisture content of the module and its durability. We find that the background sheet resistance (that is, the sheet resistance rise not attributable to finger interruptions or cracks) is substantially higher in the backsheet mini-modules vs glass-glass packages when humidity and temperature are faced. This increase in power loss due to the background resistance increase over time in damp heat in glass-backsheet modules resulted in ~3-4% larger decrease in relative PCE compared to glass-glass modules. In glass-backsheet modules, the effect of the moisture dose alone is comparable or greater than that of the combined temperature and water term, suggesting that glass-backsheet modules are overall more susceptible to moisture induced performance loss. Finally, we show that thin film PV modules are amenable to WaRD measurement, based on the ability to detect moisture in POE encapsulants or in the cell stack itself. The ease of WaRD measurement and its few requirements on the bill of materials should enable broad applicability of this technique for studying the effects of moisture in PV.

14 SOLAR ENERGY↗
DOE OSTI2022

High-Silicon Steel Strip by Single-Step Shear Deformation Processing

It is well known that Fe-Si alloys with Si content higher than in conventional electrical sheet steels (>3.2% Si) can make a significant impact in improving the efficiency of electrical motors if they are available in sheet/foil (strip) forms at suitable cost. While the magnetic and electrical attributes (e.g., resistivity, core loss) of these high-Si Fe alloys, of relevance to electrical motor core laminations, are known to be exceptional, the alloys have limited workability, making them difficult to produce consistently in sheet/foil (strip) forms. Current processing techniques such as rolling, while adequate for producing conventional electrical steel sheet, do have important disadvantages - large energy consumption and emissions, limitations in processing of low-workability alloys (e.g., high-Si content steels), large-scale plant infrastructure, and less than adequate capability to engineer sheet metals with specific microstructures (e.g., fine-grained) and crystallographic textures (e.g., shear textures). It is therefore of interest to have an alternative commercial process that can produce sheet/foil (strip) from high-Si Fe alloys and which can also overcome some of the deficiencies of current multistage strip processes. The goal of the present project was design and demonstration of a new energy-efficient pilot process for producing high-Si electrical steel strip of commercial widths and thickness, and with superior electrical and magnetic properties than current electrical steels (Fe-3.2% Si as benchmark). The applications domain for these steels is electrical motor core laminations. We have addressed this goal by accomplishment of the following specific objectives and tasks: a) Development of an Fe-4Si-4Cr alloy with electrical resistivity >80 μΩ-cm, induction flux density >1.48 T at 5000 A/m and core loss 35% lower than the benchmark 3.2% Si alloy. The alloy which meets DOE target specifications for motor core attributes was designed with the Si content controlled for the electrical properties and the Cr content tailored to meet material/process workability requirements. b) A unique machining-based deformation processing system was designed and scaled-up to produce strip of commercial width (25 mm to 150 mm) and thickness (up to 0.5 mm) from the Fe-4Si-4Cr alloy and other alloys of varied workability including copper, Al6061-T6 and naval brass. The key attributes of the machining-based strip production are deformation processing by concentrated simple-shear; single-step production of strip from ingot using compact machine infrastructure; strip surface finish of Ra 0.35 to 1 micrometer that is comparable/superior to that of rolled strip; discrete production of strip that can potentially be done at point of use; and controllability of strip mechanical/formability properties by deformation control. c) The electrical, magnetic, surface quality, mechanical, formability, and metallurgical properties/attributes of the machining-based strip were established by direct ASTM standard or equivalent measurement techniques. d) Punching characteristics of the strip in terms of load, edge quality and macro defects were similar to those of conventional 3.2% Si electrical steels. These punching characteristics are critical from a manufacturability perspective for motor/transformer core applications. e) A modeling framework for energy analysis of multistage rolling and the machining-based deformation processing has been established. Application of this modeling to the two strip-processes showed that the machining-based process requires significantly lower specific energy for processing, ~ 25% of that for rolling. The modeling framework can be adapted for a range of sheet-metal forming, bulk metal forming, and machining processes. It can be used to identify key parameters controlling process specific energy. f) A comparative analysis of advantages and disadvantages of machining-based processing against rolling for strip production. The single stage machining-based processing, with compact infrastructure, represents a new manufacturing paradigm for sheet and foil manufacturing that can potentially also be applied to advanced titanium, aluminum, copper and magnesium alloys. The goals and objectives were accomplished by a cross-disciplinary project team comprising of personnel from Purdue University; M4 Sciences LLC, a small-business focused on advanced manufacturing technology development; the Pacific Northwest National Labs; and tool manufacturers. The team is currently in advanced discussions with multiple entities for future process development for commercialization.

36 MATERIALS SCIENCE↗
DOE OSTI2024

CLimate Impact: Determining Etiology thRough pAthways (CLDERA)

Climate impacts have broad economic, health, political, and national security ramifications. Societally relevant impacts are typically farther downstream, are the product of multiple interacting processes, and can arise over small regions and timeframes because their sources are short-term and localized. Short-term forcings (as can be seen in volcanic eruptions, climatic tipping points (e.g., the collapse of rainforests or the disappearance of sea ice), or in increasingly plausible climate interventions) fundamentally possess low signal-to-noise and could benefit from accounting for the multiple conditional processes through which a downstream impact arises. Under the Grand Challenge LDRD CLDERA (CLimate impacts: Discovering Etiology thRough pAthways), we have developed tools to enable downstream impact attribution from geographically and temporally localized source forcings in the climate. CLDERA developed methods that can distinguish how a localized source drives the climate system to respond with particular impacts. The how is embodied in pathways – the spatio-temporally evolving chain of physical processes that connects a source to a series of increasingly distant impacts. Novel analytic methods in pursuit of downstream impact attribution were developed and demonstrated on simulations and observations of the 1991 eruption of Mt. Pinatubo in the Philippines. As described within this report we have • developed stratospheric expertise and aerosol modeling capabilities in E3SM, • created original methods to detect and model pathways from source-to-impact, and • advanced climate attribution through novel methods, cases, and approaches. Further, CLDERA developed a tiered verification process consisting of controlled datasets to prototype, verify, and refine the original method development. CLDERA increased Sandia’s footprint in the climate analytics community and developed new climate collaborations whilst also creating a cadre of climate analysts at Sandia. The products from CLDERA have been extensive with a total of 9 journal articles published, 12 articles submitted and under review, and an additional 8 articles in preparation. We have produced 1750 simulated years and developed 9 code-bases. This report details these accomplishments and serves as a summary of the work completed during the CLDERA Grand Challenge.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A case study in contrastive learning information combination: Application to technical forensics of additive manufacturing filament source identification

Combination of information from disparate data sources into a single decision is a core challenge in many fields, including the field of technical forensics. Technical forensics (TF) utilizes technical characterization of questioned samples to determine properties of that sample; these properties are then used to infer information of forensic interest, such as provenance, age, or attribution. TF is utilized in traditional forensic applications, such as the attribution of material fragments from an explosive, and in nuclear forensic applications, such as the attribution of actinides which have been interdicted out of regulatory control. The challenge of combining information from disparate sources, described alternately by many terms including “Data Fusion” and “Data Integration”, is exacerbated in the technical forensics domain due to at least two factors: the challenge of interpreting each information source singularly, and the relatively small data set sizes available. Extensive literature exists attempting to combine technical forensics information sources, both in manual and automated processes. These attempts are often bespoke to the specific information sources (such as the bi-, tri-, or quad-isotope chart (Moody, Grant, and Hutcheon 2005)), with some emerging examples of simple early- and late- fusion (, respectively). Simultaneous to the information combination efforts described in the previous paragraph, the field of natural language processing attempted (and largely succeeded) in combining information from multiple non-technical information sources. The ecosystem of “multi-modal” language models, which can take text and images as input, and generate text and images as output, became large and diverse by 2025 (Khan et al. 2025). In a generalized sense, many of these methods are trained by learning neural networks which can convert raw text or images into a vector of numbers describing the text or image, hereafter called “embeddings” and the neural networks performing the conversion are called “embedders”. By using a separate embedder for text and images, finding coincident text and images (such as images with their captions), and optimizing the parameters of the embedders such that the embeddings for the text and the image are similar, the field has found a bridge between text and images (Girdhar et al. 2023). It is the contention of the authors of this report that this insight is not limited to text and images but instead can be extended to any modality which can be found coincidently. The subject of the rest of this report is the application of this method to example multi-modal technical forensic data. Some details about the data used in this report are not appropriate for this report, and are included in a companion report (PNNL-38669).

36 MATERIALS SCIENCE↗