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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

AATTENUATION—The Atmospheric Attenuation Model for CSP Tower Plants: A Look-Up Table for Operational Implementation

Attenuation of solar radiation between the receiver and the heliostat field in concentrated solar power (CSP) tower plants can reduce the overall system performance significantly. The attenuation varies strongly with time and the average attenuation at different sites might also vary strongly from each other. If no site specific attenuation data is available, the optimal plant design cannot be determined and rough estimations of the attenuation effect are required leading to high uncertainties of yield analysis calculations. The attenuation is caused mainly by water vapor content and aerosol particles in the lower atmospheric layer above ground. Although several on-site measurement systems have been developed during recent years, attenuation data sets are usually not available to be included during the plant project development. An Atmospheric Attenuation (AATTENUATION) model to derive the atmospheric transmittance between a heliostat and receiver on the basis of common direct normal irradiance (DNI), temperature, relative humidity, and barometric pressure measurements was developed and validated by the authors earlier. The model allows the accurate estimation of attenuation for sites with low attenuation and gives an estimation of the attenuation for less clear sites. However, the site-dependent coefficients of the AATTENUATION model had to be developed individually for each site of interest, which required time-consuming radiative transfer simulations, considering the exact location and altitude, as well as the pre-dominant aerosol type at the location. This strongly limited the application of the model despite its typically available input data. In this manuscript, a look-up table (LUT) is presented which enables the application of the AATTENUATION model at the site of interest without the necessity to perform the according complex radiative transfer calculations for each site individually. This enables the application of the AATTENUATION model for virtually all resource assessments for tower plants and in an operational mode in real time within plant monitoring systems around the world. The LUT also facilitates the generation of solar attenuation maps on the basis of long-term meteorological data sets which can be considered during resource assessment for CSP tower plant projects. The LUTs are provided together with this manuscript as supplementary files. The LUT for the AATTENUATION model was developed for a solar zenith angle (SZA) grid of 1°, an altitude grid of 100 m, 7 different standard aerosol types and the standard AFGL atmospheres for mid-latitudes and the tropics. The LUT was tested against the original version of the AATTENUATION model at 4 sites in Morocco and Spain, and it was found that the additional uncertainty introduced by the application of the LUT is negligible. With the information of latitude, longitude, altitude above mean sea level, DNI, relative humidity (RH), ambient temperature (Tair), and barometric pressure (bp), the attenuation can be now derived easily for each site of interest.

14 SOLAR ENERGY↗
DOE OSTI2023

Aperture size distribution, length, and preferential location of bed-parallel veins in shale

Bed-parallel, calcite-filled veins (BPVs) are common in shale formations, and although they have been widely described in other studies, little is known about their population aperture size distribution. To address this knowledge gap, we analyzed BPV sizes in outcrops and cores from the Vaca Muerta Formation, Neuquén Basin, Argentina; in two cores from the Marcellus Formation, Appalachian Basin, northeast Pennsylvania; and in one core from the Wolfcamp Shale, Delaware Basin, West Texas. Nine out of ten aperture size populations follow a negative exponential distribution, with one following a weak power law. Bed-parallel vein size distribution and intensity vary among formations and within the same shale. We define three groups of distributions: (1) Vaca Muerta outcrops, with the highest BPV intensity and the largest BPVs (cumulative frequency of 4.9 BPVs per meter [BPVs/m] for apertures 0.265 mm to 8.7 cm); (2) Vaca Muerta cores with a similar BPV intensity overall but with no apertures wider than 1.2 cm; and (3) Vaca Muerta, Wolfcamp, and Marcellus cores with the fewest BPVs (cumulative frequency up to 0.63 BPVs/m) and very few wider than 1 cm. Aperture and length in two outcrop data sets are weakly positively correlated and follow power laws with exponents of 0.44 and 0.49. Mechanical interfaces at boundaries between different lithologies exert a strong control on BPV location, with 65–75% of observed interfaces having BPVs along them. Only 25–30% of the BPVs occur at observed material interfaces, however, and unless subtle, unobserved mechanical layering is present, other factors must also control location. BPV intensity and organic richness (TOC) from Vaca Muerta well logs are correlated in some instances but not in others, indicating TOC is not always a good proxy for BPV location or intensity. Furthermore, these findings provide useful information for modeling of hydraulic fracture treatments where BPVs may influence development of the stimulated fracture network, for example by limiting height growth.

58 GEOSCIENCES↗
DOE OSTI2024

A novel conditional generative model for efficient ensemble forecasts of state variables in large-scale geological carbon storage

Integrating monitoring data to efficiently update reservoir pressure and CO 2 plume distribution forecasts presents a significant challenge in geological carbon storage (GCS) applications. Inverse modeling techniques are commonly used to fuse observational data and refine reservoir model parameters, thereby improving state variable forecasts. However, these techniques often rely on linear or Gaussian assumptions, which can limit their effectiveness in accurately predicting state variables. Moreover, simulating large-scale three-dimensional (3D) GCS problems is computationally expensive, making iterative runs in inverse problems prohibitive. To address these challenges, we propose a conditional generative model utilizing the score-based diffusion method for real-time 3D pressure and saturation field distribution predictions. Our approach involves solving the score function with a mini-batch-based Monte Carlo estimator to generate labeled data. This data is subsequently employed to train a fully connected neural network, enabling it to learn the conditional sample generator within a supervised learning framework. This method enables the rapid generation of a large ensemble of predictions, facilitating comprehensive uncertainty quantification of state variables. Here we applied our method to forecast the dynamic 3D distributions of pressure and saturation fields over a 30-year injection period. The statistical assessment with low root mean square error (RMSE) values demonstrates that our method can accurately predict the spatiotemporal distributions of both pressure and saturation fields. Moreover, the developed conditional generative model shows high computational efficiency by generating 100 ensemble forecasts of 3D state variables in less than 10 min. The consistency between ensemble averages and ground truth values further illustrates the model’s capability to capture state variable dynamics during the CO 2 plume injection process. Notably, the ground truth values fall within the ensemble forecasts, indicating that our uncertainty quantification effectively captures variability and potential noise in the observations. Thus, the developed conditional generative model proves to be a more efficient, accurate, and practical tool for GCS applications, facilitating timely risk analysis and informed decision-making.

58 GEOSCIENCES↗
DOE OSTI2026

Understanding Adsorption and Reactions at Aqueous Oxide Interfaces with Neural Network Potential Molecular Dynamics

Chemical processes at metal oxide−water interfaces are of central importance in geochemistry, biology, and energy technologies. A better understanding of these processes would allow us to make a significant step toward optimizing and controlling them, which could in turn lead to broader impacts. Computational modeling is indispensable to accomplishing this task because complexity and disorder often make it difficult to extract atomistic information from experiments. Balancing computational cost and accuracy, simulation schemes based on efficient machine learning representations of the potential energy surface (PES) predicted by ab initio calculations have become increasingly popular over the past decade. In particular, several studies have demonstrated the ability of machine learning models to accurately reproduce the complex ab initio PESs of aqueous oxide interfaces, allowing simulations of systems and processes that are not accessible with ab initio methods. In this Account, we review our recent efforts to understand adsorption processes and reactions at aqueous oxide interfaces using deep potential molecular dynamics (DPMD), a simulation scheme employing deep neural networks (DNNs), which has proven to be quite successful in accurately describing many different systems in the condensed phase. After summarizing the DPMD methodology, we first review our work on the acid−base chemistry of oxide surfaces in contact with water, a fundamental characteristic that controls proton transfer and surface charge at the interface. We focus on the aqueous interface of rutile IrO 2 , an oxide material thus far considered the best catalyst for the oxygen evolution reaction (OER). We show that this interface is characterized by a large fraction of dissociated water and a strong Brønsted acidity of the surface sites, in good agreement with the experimentally measured value of the point of zero proton charge. In our second example, we investigate how the adsorption of organic species from ambient air or water affects the structure and wettability of the aqueous interfaces of TiO 2 , a prototypical photocatalytic material. This is a question that is relevant to understanding the UV-induced hydrophilicity of TiO 2 surfaces, a property at the basis of self-cleaning windows and related applications. Specifically focusing on formic and acetic acids, the two most common atmospheric organic acids, our simulations reveal that these acids control the wettability of TiO 2 largely through acid−base chemistry at the interface rather than chemisorption on the oxide surface, a finding that could help improve the design of self-cleaning surfaces and photocatalytic devices. Finally, we review our recent study of methanol at TiO 2 −water interfaces, a system whose interest is largely motivated by the role of methanol in enhancing photocatalytic hydrogen evolution on TiO 2 . Our simulations provide mechanistic insights into the coupled roles of the organic adsorbate and water at the TiO 2 interface, with implications for how methanol enhances the activity of H 2 evolution.

adsorption↗
DOE OSTI2025

The Three Hundred Project: Modeling baryon and hot-gas fraction evolution in simulated clusters

The baryon fraction of galaxy clusters, expressed as the ratio between the mass in baryons (including both stars and cold or hot gas) and the total mass, is a powerful tool to provide information on the cosmological parameters, while the hot-gas fraction provides indications on the physics of the intracluster plasma and its interplay with the processes that drive galaxy formation. Using cosmological hydrodynamical simulations of about 300 simulated massive galaxy clusters with a median mass M 500 ≈ 7 × 10 14 M ⊙ at z = 0, we model the relations between total mass and either baryon fraction or the hot gas fractions at overdensities Δ = 2500, 500, and 200 with respect to the cosmic critical density, and their evolution from z ∼ 0 to z ∼ 1.3. We utilized the simulated galaxy clusters from the Three Hundred project, which include star formation and feedback from both supernovae and active galactic nuclei. We fit the simulation results for such scaling relations against three analytic forms (linear, quadratic, and logarithmic in a logarithmic plane) and three forms for the redshift dependence, and we considered as a variable both the inverse of the cosmic scale factor, (1 + z), and the Hubble expansion rate, E(z). We show that power-law dependencies on cluster mass poorly describe the investigated relations. A power law fails to simultaneously capture the flattening of the total baryon and gas fractions at high masses, their drop at low masses, and the transition between these two regimes. The other two functional forms provide a more accurate description of the curvature in mass scaling. The fractions measured within smaller radii exhibit a stronger evolution than those measured within larger radii. From the analysis of these simulations, we evince that as long as we include systems in the mass range herein investigated, the baryon or gas fraction can be accurately related to the total mass through either a parabola or a logarithm in the logarithmic plane. The trends are common to all modern hydro simulations, although the amplitude of the drop at low masses might differ. Being able to observationally determine the gas fraction in groups will thus provide constraints on the baryonic physics.

galaxy clusters↗
DOE OSTI2020

2020 Annual Report of Available Drawdowns for Each Oil Storage Cavern in the Strategic Petroleum Reserve

The Department of Energy maintains an up-to-date documentation of the number of available full drawdowns of each of the caverns owned by the Strategic Petroleum Reserve (SPR). This information is important for assessing the SPR's ability to deliver oil to domestic oil companies expeditiously if national or world events dictate a rapid sale and deployment of the oil reserves. Sandia was directed to develop and implement a process to continuously assess and report the evolution of drawdown capacity, the subject of this report. A cavern has an available drawdown if after that drawdown, the long-term stability of the cavern, the cavern field, or the oil quality are not compromised. Thus, determining the number of available drawdowns requires the consideration of several factors regarding cavern and wellbore integrity and stability, including stress states caused by cavern geometry and operations, salt damage caused by dilatant and tensile stresses, the effect of enhanced creep on wellbore integrity, and the sympathetic stress effect of operations on neighboring caverns. A consensus has now been built regarding the assessment of drawdown capabilities and risks for the SPR caverns. The process involves an initial assessment of the pillar-to-diameter (P/D) ratio for each cavern with respect to neighboring caverns. A large pillar thickness between adjacent caverns should be strong enough to withstand the stresses induced by closure of the caverns due to salt creep. The first evaluation of P/D includes a calculation of the evolution of P/D after a number of full cavern drawdowns. The most common storage industry standard is to keep this value greater than 1.0, which should ensure a pillar thick enough to prevent loss of fluids to the surrounding rock mass. However, many of the SPR caverns currently have a P/D less than 1.0 or will likely have a low P/D after one or two full drawdowns. For these caverns, it is important to examine the structural integrity with more detail using geomechanical models. Finite-element geomechanical models have been used to determine the stress states in the pillars following successive drawdowns. By computing the tensile and dilatant stresses in the salt, areas of potential structural instability can be identified that may represent "red flags" for additional drawdowns. These analyses have found that many caverns will maintain structural integrity even when grown via drawdowns to dimensions resulting in a P/D of less than 1.0. The analyses have also confirmed that certain caverns should only be completely drawn down one time. As the SPR caverns are utilized and partial drawdowns are performed to remove oil from the caverns (e.g., for occasional oil sales authorized by the Congress or the President), the changes to the cavern caused by these procedures must be tracked and accounted for so that an ongoing assessment of the cavern's drawdown capacity may be continued. A proposed methodology for assessing and tracking the available drawdowns for each cavern was presented in Sobolik et al. (2018). This report includes an update to the baseline drawdowns for each cavern, and provides an initial assessment of the evolution of drawdown expenditure for several caverns

02 PETROLEUM↗
DOE OSTI2021

Available Drawdowns for Each Oil Storage Cavern in the Strategic Petroleum Reserve (2021 Annual Report)

The Department of Energy maintains an up-to-date documentation of the number of available full drawdowns of each of the caverns owned by the Strategic Petroleum Reserve (SPR). This information is important for assessing the SPRs ability to deliver oil to domestic oil companies expeditiously if national or world events dictate a rapid sale and deployment of the oil reserves. Sandia was directed to develop and implement a process to continuously assess and report the evolution of drawdown capacity, the subject of this report. A cavern has an available drawdown if after that drawdown, the long-term stability of the cavern, the cavern field, or the oil quality are not compromised. Thus, determining the number of available drawdowns requires the consideration of several factors regarding cavern and wellbore integrity and stability, including stress states caused by cavern geometry and operations, salt damage caused by dilatant and tensile stresses, the effect of enhanced creep on wellbore integrity, and the sympathetic stress effect of operations on neighboring caverns. A consensus has now been built regarding the assessment of drawdown capabilities and risks for the SPR caverns (Sobolik et al., 2014; Sobolik 2016). The process involves an initial assessment of the pillar - to - diameter (P/D) ratio for each cavern with respect to neighboring caverns. A large pillar thickness between adjacent caverns should be strong enough to withstand the stresses induced by closure of the caverns due to salt creep. The first evaluation of P/D includes a calculation of the evolution of P/D after a number of full cavern drawdowns. The most common storage industry standard is to keep this value greater than 1.0, which should ensure a pillar thick enough to prevent loss of fluids to the surrounding rock mass. However, many of the SPR caverns currently have a P/D less than 1.0 or will likely have a low P/D after one or two full drawdowns. For these caverns, it is important to examine the structural integrity with more detail using geomechanical models. Finite-element geomechanical models have been used to determine the stress states in the pillars following successive drawdowns. By computing the tensile and dilatant stresses in the salt, areas of potential structural instability can be identified that may represent red flags for additional drawdowns. These analyses have found that many caverns will maintain structural integrity even when grown via drawdowns to dimensions resulting in a P/D of less than 1.0. The analyses have also confirmed that certain caverns should only be completely drawn down one time. As the SPR caverns are utilized and partial drawdowns are performed to remove oil from the caverns (e.g., for occasional oil sales , purchases, or exchanges authorized by the Congress or the President), the changes to the cavern caused by these procedures must be tracked and accounted for so that an ongoing assessment of the caverns drawdown capacity may be continued. A proposed methodology for assessing and tracking the available drawdowns for each cavern was presented in Sobolik et al. (2018). This report is the latest in a series of annual reports, and it includes the baseline available drawdowns for each cavern, and the most recent assessment of the evolution of drawdown expenditure for several caverns .

02 PETROLEUM↗
DOE OSTI2020

Height Above Nearest Drainage (HAND) and Hydraulic Property Table for CONUS - Version 0.21 (20200601)

The continental flood inundation mapping (CFIM) framework is a high-performance computing (HPC)-based computational framework for the Height Above Nearest Drainage (HAND)-based inundation mapping methodology. Using the 10m Digital Elevation Model (DEM) data produced by U.S. Geological Survey (USGS) 3DEP (the 3-D Elevation Program) and the NHDPlus hydrography dataset produced by USGS and the U.S. Environmental Protection Agency (EPA), a hydrological terrain raster called HAND is computed for HUC6 units in the conterminous U.S. (CONUS). The value of each raster cell in HAND is an approximation of the relative elevation between the cell and its nearest water stream. Derived from HAND, a hydraulic property table is established to calculate river geometry properties for each of the 2.7 million river reaches covered by NHDPlus (5.5 million kilometers in total length). This table is a lookup table for water depth given an input stream flow value. Such lookup is available between water depth 0m and 25m at 1-foot interval. The flood inundation map is then computed by using HAND and this lookup table based on the near real-time water forecast from the National Water Model (NWM) at the National Oceanic and Atmospheric Administration (NOAA). HAND and the Hydraulic Property Table version v0.21 is an upgrade to v0.2. Version 0.21 applies NHD HR etching to DEMs for all HUC6 units before running the HAND workflow. This new version also fixed the issue of void areas along HUC boundary. This dataset comprises 331 HUC6 units for CONUS (excluding the five great lakes units), each is a downloadable zip file. Version 0.1 was computed at the National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urban-Champaign in 2016 and is currently hosted at the Texas Advanced Computing Center (TACC). Please cite this data DOI and the following publications and data DOIs when you use HAND and the hydraulic property table: Liu, Yan Y. Height Above Nearest Drainage (HAND) and Hydraulic Property Table for CONUS - Version 0.2. (20200301). Oak Ridge Leadership Computing Facility. (2020). DOI: 10.13139/ORNLNCCS/1608331 Liu, Yan Y., David R. Maidment, David G. Tarboton, Xing Zheng, and Shaowen Wang. 'A CyberGIS integration and computation framework for high-resolution continental-scale flood inundation mapping.' JAWRA Journal of the American Water Resources Association 54, no. 4 (2018): 770-784. DOI: 10.1111/1752-1688.12660 Zheng, Xing, David G. Tarboton, David R. Maidment, Yan Y. Liu, and Paola Passalacqua. 'River channel geometry and rating curve estimation using height above the nearest drainage.' JAWRA Journal of the American Water Resources Association 54, no. 4 (2018): 785-806. DOI: 10.1111/1752-1688.12661 Liu, Y. (2018). Height Above Nearest Drainage (HAND) for CONUS, HydroShare, https://doi.org/10.4211/hs.69f7d237675c4c73938481904358c789 LICENSE FOR USE -- MAPS AND DATA DISCLAIMER This resource is shared under the Creative Commons Attribution CC BY, http://creativecommons.org/licenses/by/4.0/ MAPS AND DATA DISCLAIMER The Oak Ridge National Laboratory (ORNL) shall not be held liable for improper or incorrect use of the data described or information contained on this map or associated series of maps. The data and related map graphics are not legal, land survey or engineering documents and are not intended to be used as such. ORNL gives no warranty, express or implied, as to the accuracy, reliability, utility or completeness of this information. The user of these maps and data assumes all responsibility and risk for the use of the maps and data. ORNL disclaims all warranties, representations or endorsements either express or implied, with regard to the information contained in this map product, including, but not limited to, all implied warranties of merchantability, fitness for a particular purpose or non-infringement. This preliminary map product is for research and review purposes only. It is not intended to be used for emergency management operational or life safety decisions at the local or regional governmental level or by the general public. Users requiring information regarding hazardous conditions or meteorological conditions for specific geographic areas should consult directly with their city or county emergency management office.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Available Drawdowns for Each Oil Storage Cavern in the Strategic Petroleum Reserve (2022 Annual Report)

The Department of Energy maintains an up-to-date documentation of the number of available full drawdowns of each of the caverns owned by the Strategic Petroleum Reserve (SPR). This information is important for assessing the SPR's ability to deliver oil to domestic oil companies expeditiously if national or world events dictate a rapid sale and deployment of the oil reserves. Sandia was directed to develop and implement a process to continuously assess and report the evolution of drawdown capacity, the subject of this report. A cavern has an available drawdown if after that drawdown, the long-term stability of the cavern, the cavern field, or the oil quality are not compromised. Thus, determining the number of a vailable drawdowns requires the consideration of several factors regarding cavern and wellbore integrity and stability, including stress states caused by cavern geometry and operations, salt damage caused by dilatant and tensile stresses, the effect of enhanced creep on wellbore integrity, and the sympathetic stress effect of operations on neighboring caverns. A consensus has now been built regarding the assessment of drawdown capabilities and risks for the SPR caverns (Sobolik et al., 2014; Sobolik 2016). The process involves an initial assessment of the pillar-to-diameter (P/D) ratio for each cavern with respect to neighboring caverns. A large pillar thickness between adjacent caverns should be strong enough to withstand the stresses induced by closure of the caverns due to salt creep. The first evaluation of P/D includes a calculation of the evolution of P/D after a number of full cavern drawdowns. The most common storage industry standard is to keep this value greater than 1.0, which should ensure a pillar thick enough to prevent loss of fluids to the surrounding rock mass. However, many of the SPR caverns currently have a P/D less than 1.0 or will likely have a low P/D after one or two full drawdowns. For these caverns, it is important to examine the s tructural integrity with more detail using geomechanical models. Finite - element geomechanical models have been used to determine the stress states in the pillars following successive drawdowns. By computing the tensile and dilatant stresses in the salt, areas of potential structural instability can be identified that may represent "red flags" for additional drawdowns. These analyses have found that many caverns will maintain structural integrity even when grown via drawdowns to dimensions resulting in a P/D of less than 1.0. The analyses have also confirmed that certain caverns should only be completely drawn down one time. As the SPR caverns are utilized and partial drawdowns are performed to remove oil from the caverns (e.g., for occasional oil sales , purchases, or exchanges authorized by the Congress or the President), the changes to the cavern caused by these procedures must be tracked and accounted for so that an ongoing assessment of the cavern's drawdown capacity may be continued. A proposed methodology for assessing and tracking the available drawdowns for each cavern was presented in Sobolik et al. (2018). This report is the latest in a series of annual reports, and it includes the baseline available drawdowns for each cavern, and the most recent assessment of the evolution of drawdown expenditure for several caverns.

02 PETROLEUM↗
DOE OSTI2022

Flexible Siting Criteria and Staff Minimization for Micro-Reactors

The economic potential of micro-reactors is vast and underestimated. Commonly-emphasized applications include niche markets such as remote communities, mines and military bases. However, micro-reactors could be used as flexible energy generators also for larger markets, such as mobile and containerized agriculture and manufacturing facilities, district heating, micro-grids for data centers, sea ports, airports and hospitals. The implication is that micro-reactors may have to be deployed also in non-remote locations. Successful implementation of micro-reactors needs a navigable and predictable licensing process, technology-appropriate siting restrictions, risk-informed emergency and safety requirements, and practical operating and maintenance requirements. The primary goal of this project was to develop siting criteria that are tailored to micro-reactors deployable in densely-populated areas, e.g., urban environments. To achieve that goal, we compared the characteristics of the MIT research reactor (MITR) with those of leading micro-reactor concepts (e.g., eVinci, USNC, Aurora), and evaluated whether and how the MITR design basis (e.g., inherent safety features, engineered safety systems, source term, emergency planning and emergency operating procedures) and associated regulations may be applicable to these new micro-reactors as well. What makes MITR a unique analogue in this context is its small power rating (6 MWt) and physical size, mode of operations (24/7 with a somewhat more commercial flavor than typical university reactors), and especially its urban location. Of course significant differences exist, such as mission (power production vs. research) and the reactor design itself. Leveraging the MITR experience, this project was able to generate criteria that will allow micro-reactors to realize their full economic potential as flexible heat and electricity generators for a diverse portfolio of applications in non-remote locations. As such, the outcome of this project might encourage investment in and use of micro-reactors. A second goal of the project was to conceptualize a model of operations for micro-reactors that would minimize the staffing requirements, and thus reduce the cost of electricity and heat generated by these systems. Here too our approach was to systematically review the MITR experience and requirements, as well as survey the innovations in autonomous control technologies and monitoring (e.g., advanced sensors, drones, robotics, AI) that would permit a dramatic reduction in staffing at future micro-reactor installations. The scope of work was expanded after the start date to include also an evaluation of micro-reactor security, using the so-called consequence-based analysis, and the development of a methodology to perform dynamic risk assessment for micro-reactors, using system theory and modeling and simulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Accuracy of HVAC Load Predictions: Validation of EnergyPlus and DOE-2 using FLEXLAB Measurements

The aim of the project reported here was to better understand the level of accuracy of three building energy simulation (BES) engines (‘engines’) — EnergyPlus™, DOE-2.1e, and DOE-2.2 — by identifying and investigating significant deviations between the performance predicted by these engines and actual performance as measured in the FLEXLAB® test facility at Lawrence Berkeley National Laboratory (LBNL). The specific test conditions included some of those prescribed in ANSI/ASHRAE Standard 140 - Standard Method of Test for the Evaluation of Building Energy Analysis Computer Programs. Detailed measurements of FLEXLAB performance, including indoor temperatures and heat fluxes and air-flow and water flow rates and temperatures in the Heating, Ventilating and Air Conditioning (HVAC) system, together with hourly weather data, were recorded and used in analyzing the simulation results from EnergyPlus v8.8, DOE-2.2 v3.65 and DOE-2.1e v127. These engines are commonly used in the United States for building energy code compliance, federal, state, and utility incentives programs, as well as energy efficient design of new buildings and energy retrofit of existing buildings. Seven conventional overhead mixing ventilation scenarios were tested and each engine was found to have a similar level of agreement with the measurements of space-level heating and sensible cooling loads. These results provide useful information regarding the accuracy of these engines in predicting the cooling and heating load elements of whole building energy performance. This information is intended for practitioners who are concerned about transitioning between simulation tools with different engines and for managers of utility programs leveraging these tools for evaluating and/or projecting measure savings to be incentivized under their programs. The results of the comparisons of simulated and measured performance indicate that the predictions from all three engines are not significantly different. The 24-hour average value of the absolute mean bias indicates the likely magnitude of the error in any particular case. The average mean bias is reduced by cancelation of overprediction in one case by underprediction in another. The daytime absolute mean biases, which may be more important for both energy performance and occupant comfort, are ~6%, presumably because of the greater complexity involved in simulating in the presence of solar radiation. EnergyPlus typically overpredicts the cooling load and/or underpredicts the heating load by ~1.5% and the DOE-2 engines typically underpredict the cooling load by approximately the same amount. The Root Mean Square Error is relatively more sensitive to shorter term variations in the difference between predicted and measured loads; the three engines have similar values, ~10%, suggesting that the uncertainties in their predictions of peak loads may also be similar in magnitude. The implication of these results is that users, both designers and program analysts, can use EnergyPlus, DOE-2.1e, or DOE-2.2 to model conventional commercial buildings equipped with overhead mixing ventilation with a similar level of confidence. Further work is required to better understand the variability in the level of agreement between the engine predictions and FLEXLAB measurements, where a particular engine will agree well with FLEXLAB in some cases and not so well in others and another engine will agree or disagree in different cases. As the sources of this variability are identified and eliminated or reduced significantly, it is recommended that the experimental capabilities and methods developed in the study reported here should be applied to validating heating and cooling load calculations for spaces with different types of furniture and miscellaneous loads. These methods should then be applied to low energy space conditioning systems in EnergyPlus including, in particular, radiant slab and radiant ceiling panel cooling and heating systems and ‘mixed mode’ systems that combine mechanical cooling and natural ventilation systems, focusing on controls, including control of thermal mass. The work reported here addresses the conventional method of heating and cooling occupied spaces; other methods, such as the use of radiant heating and cooling systems have the potential to provide equivalent occupant comfort, or better, with lower energy consumption. These systems are addressed more explicitly in EnergyPlus but there is a need for empirical validation to give users the same level of confidence in modeling these systems that they have, or should have, in modeling conventional systems, based on the results presented here.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

A network approach for multiscale catchment classification using traits

Abstract. The classification of river catchments into groups with similar biophysical characteristics is useful to understand and predict their hydrological behavior. The increasing availability of remote sensing and other large-scale geospatial datasets has enabled the use of advanced data-driven approaches to classify catchments using traits such as topography, geology, climate, land cover, land use, and human influence. Unsupervised clustering algorithms based on the Euclidean distance are commonly used for trait-based classification but are not suitable for highly dimensional data. In this study we present a new network-based method for multi-scale catchment classification, which can be applied to large datasets and used to determine the traits associated with different catchment groups. In this framework, two networks are analyzed in parallel: the first being where the nodes are traits and the second being where the nodes are catchments. In both cases, edges represent pairwise similarity, and a network cluster detection algorithm is used for the classification. The trait network is used to investigate redundancy in the trait data and to condense this information into a small number of interpretable categories. The catchments network is used to classify the catchments into clusters and to identify representative catchments for the different groups using the degree centrality metric. We apply this method to classify 9067 river catchments across the contiguous United States at both regional and continental scales using 274 non-categorical traits. At the continental scale, we identify 25 interpretable trait categories and 34 catchment clusters of sizes greater than 50. We find that catchments with similar trait categories are typically located in the same region, with different spatial patterns emerging among clusters dominated by natural and anthropogenic traits. We also find that the catchment clusters exhibit distinct hydrological behavior based on an analysis of streamflow indices. This network approach provides several advantages over traditional means of classification, including better separation of clusters, the use of alternate similarity metrics that are more suitable for highly dimensional data, and reducing redundancy in the trait information. The paired catchment–trait networks enable analysis of hydrological behavior using the dominant trait categories for each catchment cluster. The approach can be used at multiple spatial scales since the network topologies adjust automatically to reflect the trait patterns at the scale of investigation. Finally, the representative catchments identified as hub nodes in the network can be used to guide transferable observational and modeling strategies. The method is broadly applicable beyond hydrology for classification of other complex systems that utilize different types of trait datasets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Acarbose impairs gut Bacteroides growth by targeting intracellular glucosidases

ABSTRACT Acarbose is a type 2 diabetes medicine that prevents dietary starch breakdown into glucose by inhibiting host amylase and glucosidase enzymes. Numerous gut species in theBacteroidesgenus enzymatically break down starch and change in relative abundance within the gut microbiome in acarbose-treated individuals. To mechanistically explain this observation, we used two model starch-degradingBacteroides,Bacteroides ovatus(Bo), andBacteroides thetaiotaomicron(Bt). Bt growth on starch polysaccharides is severely impaired by acarbose, whereas Bo growth is much less affected by the drug. TheBacteroidesuse a starch utilization system (Sus) to grow on starch. We hypothesized that Bo and Bt Sus enzymes are differentially inhibited by acarbose. Instead, we discovered that although acarbose primarily targets the Sus periplasmic GH97 enzymes in both organisms, the drug affects starch processing at multiple other points. Acarbose competes for transport through the TonB-dependent SusC proteins and binds to the Sus transcriptional regulators. Furthermore, Bo expresses a non-Sus GH97 (BoGH97D) when grown in starch with acarbose. The Bt homolog, BtGH97H, is not expressed in the same conditions, nor can overexpression of BoGH97D complement the Bt growth inhibition in the presence of acarbose. This work informs us about unexpected complexities of Sus function and regulation inBacteroides, including variation between related species. Furthermore, this indicates that the gut microbiome may be a source of variable response to acarbose treatment for diabetes. IMPORTANCE Acarbose is a type 2 diabetes medication that works primarily by stopping starch breakdown into glucose in the small intestine. This is accomplished by the inhibition of host enzymes, leading to better blood sugar control via reduced ability to derive glucose from dietary starches. The drug and undigested starch travel to the large intestine where acarbose interferes with the ability of some bacteria to grow on starch. However, little is known about how gut bacteria interact with acarbose, including microbes that can use starch as a carbon source. Here, we show that two gut species,Bacteroides ovatus(Bo) andBacteroides thetaiotaomicron(Bt), respond differently to acarbose: Bt growth is inhibited by acarbose, while Bo growth is less affected. We reveal a complex set of mechanisms involving differences in starch import and sensing behind the different Bo and Bt responses. This indicates the gut microbiome may be a source of variable response to acarbose treatment for diabetes via complex mechanisms in common gut microbes.

Microbiology↗
DOE OSTI2026

An improved dataset for predicting mammal infecting viruses from genetic sequence information

There have been several attempts to develop machine learning (ML) models to identify human infecting viruses from their genomic sequences, with varying degrees of success. Direct comparison between models is problematic, because these models are typically trained and evaluated on different datasets with alternative data splitting schemes, features, and model performance metrics. In this paper we present a standardized dataset of mammal infecting and non-infecting viral pathogens, refined from the previous work of Mollentze et al. to include the latest literature evidence, roughly doubling the number of curated host-virus records available to the community, and new host target labels, primate and mammal. The new host labels were included for several reasons, including previous reports that classification performance is better at broader taxonomic ranks and the idea that there may be more data for primate infection that might serve as a suitable proxy for zoonotic potential and avoidance of false positives for human infection due to absence of evidence. On this dataset, we report the performance of eight machine learning models for predicting mammal-infecting viruses from their genomic sequences. We find that randomly assigning cases in our improved dataset to training/testing sets, when compared to the original assignments into training/testing in Mollentze et al., increases the overall average ROC AUC of prediction of human infection from 0.663 ± 0.070 to 0.784 ± 0.013, consistent with the reduction in phylogenetic distance between train and test sets (relative entropy change from 3.00 to 0.08). The broadest host category of mammal infection can be predicted most reliably at 0.850 ± 0.020. We share our improved dataset and code to enable standardized comparisons of machine learning methods to predict human host infections. Overall, we have presented preliminary evidence that classification of virus host infection is more tractable at higher taxonomic ranks, that unsurprisingly reducing the phylogenetic distance between training and test sets can improve predictive performance, that peptide kmer features appear to be harmful to out of sample model performance, and we are left with the question of whether models for virus host prediction can reasonably be expected to perform well in out of sample scenarios given the likelihood that viruses do not share a common ancestor. Consistent with this concern, when the data is resampled such that there is no overlap between viral families in training and test sets (relative entropy > 24), models perform no better than random chance at prediction of human infection regardless of whether kmers are included (ROC AUC 0.50 ± 0.08) or not (ROC AUC 0.50 ± 0.04).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

An Applied Strategy for Using Empirical and Hybrid Models in Online Monitoring

The monitoring of plant equipment for failure prediction is one of the key contributors to operation and maintenance (O&M) costs for a nuclear power plant (NPP) because O&M monitoring depends on labor-intensive activities that are required to meet high equipment reliability standards. These activities rely primarily on humans for information gathering, condition diagnosis, and predictive analysis. Online monitoring aims to automate these activities by relying on sensors to replace human information gathering and machine learning to replace human analysis and decision making. To facilitate automated monitoring, a systematic strategy for anomaly detection is needed to optimally use the available sensor data, empirical models, and physics-supported models. This strategy is essential to provide credible reasoning on why and when an empirical (i.e., purely data-driven) versus hybrid (i.e., physics-supported) approach should be used and to determine the ideal mix of these two approaches for a defined anomaly detection scope. The extant methods usually adopt an ad hoc trial-and-error approach that, in addition to being time-consuming and costly, is also highly subjective; it is impacted by the background and the skill set of the personnel making the decisions. Thus, such an approach cannot guarantee an optimum outcome. This represents the motivation of the current research effort, which is focused on devising a scientifically supported strategy for the optimum selection of anomaly detection methods. This report presents a detailed assessment of the main anomaly detection techniques within the empirical or hybrid method streams. Empirical methods include pattern, statistical, and causal inference. Hybrid methods include the use of physics models to train and test data methods, reduce data dimensionality, reduce data-model complexity, augment data, and reduce empirical uncertainty; hybrid methods also include the use of data to tune physics models. The listed techniques within these two streams represent the vast majority of techniques performed for anomaly detection. Using the techniques as outcomes, a strategy was developed to enable a systematic decision-making process to lead to one of these techniques. The strategy is driven by key decision points related to data relevance, simple modeling feasibility, data inference, physics-modeling value, data dimensionality, physics knowledge, method of validation, performance, data availability and suitability for training and testing, cause-effect, entropy inference, and model fitting. Each of these decision points in the strategy is explained in detail in this report with examples, along with the scientific basis behind the decisions and outcomes in common and simplified terminology. The strategy is developed for use by any NPP staff with basic engineering or science knowledge. A user-friendly graphical state flow diagram was also developed as a visual presentation of the strategy. The strategy was tested and demonstrated through two pilot projects for the application of anomaly detection at an NPP. Each pilot had two use cases: an initial case in which certain decisions were made that resulted in one or more empirical techniques and a revised use case where one or more key decisions were modified resulting in using a set of hybrid methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Evaluating Impacts of the Inflation Reduction Act and Bipartisan Infrastructure Law on the U.S. Power System

The Inflation Reduction Act of 2022 (IRA) and the Infrastructure Investment and Jobs Act of 2021, commonly referred to as the 'Bipartisan Infrastructure Law (BIL),' collectively represent the largest commitment of the U.S. Federal Government to invest in the modernization and decarbonization of the U.S. energy system. The Congressional Budget Office (CBO) estimates that total support for the broad range of climate and clean energy programs, tax credits, and other incentives authorized through the two laws will exceed $430 billion from 2022 through 2031 (CRS 2022; CBO 2021, 2022). While the climate and clean energy provisions are numerous and have the potential to impact all aspects of the U.S. energy system from fuel and electricity production to final consumption in industry, transportation, and buildings, the provisions relevant to the electricity sector - in particular the suite of tax credits for clean generation, storage, and carbon dioxide ( CO 2 ) capture and storage - are expected to be some of the most consequential in terms of emissions reduction and clean energy deployment (Larsen et al. 2022; Jenkins, Mayfield, et al. 2022; Mahajan et al. 2022; Zhao et al. 2022). In this report, we detail the methods and results of a study estimating the potential impacts of key provisions of IRA and BIL on the contiguous U.S. power sector from present day through 2030. The analysis employs an advanced power system planning model, the Regional Energy Deployment System (ReEDS), to evaluate how major provisions from both laws impact investment in and operation of utility-scale generation, storage, and transmission, and, in turn, how those changes impact power system costs, emissions, and climate and health damages. While not exhaustive in capturing every provision, the analysis estimates the possible scale of power-sector impacts that could result from the modeled provisions in IRA and BIL. The study is structured around two scenarios to evaluate the potential impacts of both laws on the power sector: 1) No New Policy: A counter-factual scenario that reflects all Federal and state policies enacted as of September 2022, with exception to IRA and BIL, and assumes load growth consistent with the Energy Information Administration's Annual Energy Outlook 2022 (AEO22) Reference case (EIA 2022a); 2) IRA-BIL: A scenario reflecting all Federal and state policies enacted as of September 2022, including key IRA and BIL provisions, most notably the investment and production tax credits for zero-carbon emitting electricity generation and storage (ITC and PTC), the tax credit for CO 2 capture and storage (45Q), and the tax credit for existing nuclear plants (described further in Section 2.3). To account for the impacts of IRA and BIL on electrification, assumes increased load growth consistent with a scaled version of the Medium Electrification scenario from the Electrification Futures Study (Mai et al. 2018). These scenarios are simulated across seven sets of assumptions with varying projected future electricity market conditions, including technology costs and performance, natural gas prices, and the degree of availability, feasibility, and cost of development of renewable resources, electricity transmission, and CO 2 pipeline, injection, and storage infrastructure. In addition, we simulate two sensitivities on the 'policy' treatment in which we vary key assumptions pertaining to the realized value of the clean electricity ITC and PTC: 1) the cost of monetization of tax credits, and 2) the level of bonus crediting realized by project developers. We demonstrate that IRA and BIL have the collective potential to drive substantial growth in clean electricity by 2030, while reducing costs for consumers, mitigating climate change, and decreasing the human health impacts of power sector emissions. However, we also demonstrate that if expected cost improvements of clean technologies are not realized and/or constraints on deployment driven by factors such as supply-chain challenges, regulatory hurdles, and the social acceptability of energy infrastructure development limit the rate of clean energy and associated infrastructure deployment (such as transmission), then the share of clean generation achieved and the associated emissions benefits realized may be substantively reduced.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Spread Spectrum Time Domain Reflectivity for String Monitoring in PV Power Plants (Final Technical Report)

This final report describes the methods and results of applying Spread Spectrum Time Domain Reflectivity (SSTDR) for String Monitoring in PV Power Plants for DE-EE0008169. The project created a new system for both detecting and locating electrical faults in photovoltaic systems. In this work, we address photovoltaic electric faults that are both common and costly. Based on interviews with photovoltaic power plant owners, operators, and maintainers, three types of faults are common and of significant interest: disconnects, ground faults, and arc faults. Disconnects can originate from many sources. They are often due to everyday events, such as lawnmowing (accidentally running over a cable), animals eating through the cables, or degradation that occurs over time due to corrosion or general degradation. Ground faults occur when the cables (for example, due to frayed insolation) connect to the ground, relaying current into the ground. These faults are particularly problematic since the ground faults are often intermittent. That is, ground faults commonly appear during rain storms due to a change in soil conductivity and then disappear when the rain ends. This makes the ground fault difficult to find because while current systems can detect the overall change in voltage and current associated with a ground fault, technicians are necessary to locate the fault. As a result, ground faults may disappear before the technician arrives at the power plant. Hence, locating and fixing ground faults often require multiple trips. We also study arc faults, which can result when nearby conductors create an arc of electrical current through the air. While less common, arc faults can be extremely dangerous. The energetic electrical arc can cause fires and destroy equipment, costing significant damage. Overall all three types of faults cost owners and operators money, either from the destruction of equipment or from technician time. Furthermore, while devices exist for detecting ground faults (ground fault circuit interrupters) and arc faults (arc fault circuit interrupter), these systems only search patterns of electrical current that correspond to each fault. This information cannot be used to locate the fault. In addition, these protection systems experience nuisance trips due to nearby electromagnetic interference, such as from a lawn mower or other motors that produce significant amounts of electromagnetic radiation. Hence, the overall goal of this project is to create an SSTDR tool that provides photovoltaic power plants with more reliable fault detection in addition to the localization of faults. SSTDR works by transmitting electrical signals into the photovoltaic string. Those signals reflect from impedance discontinuities (i.e., disconnects, ground faults, and arc faults). These faults are then detected by measuring the presence of a reflection at the SSTDR and can be located by identifying the location of that reflection in time. In addition, unlike current protection systems, these systems do not experience nuisance trips since their low amplitude, high frequency, and coded signal can by analyzed without interference from the regular operational voltage on the photovoltaic string.

14 SOLAR ENERGY↗
DOE OSTI2024

HarDWR - Harmonized Water Rights Records

A dataset within the Harmonized Database of Western U.S. Water Rights (HarDWR). For a detailed description of the database, please see the meta-record v2.0. Changelog v2.0 - Recalculated based on data sourced from WestDAAT - Changed using a Site ID column to identify unique records to using aa combination of Site ID and Allocation ID - Removed the Water Management Area (WMA) column from the harmonized records. The replacement is a separate file which stores the relationship between allocations and WMAs. This allows for allocations to contribute to water right amounts to multiple WMAs during the subsequent cumulative process. - Added a column describing a water rights legal status - Added "Unspecified" was a water source category - Added an acre-foot (AF) column - Added a column for the classification of the right's owner v1.02 - Added a .RData file to the dataset as a convenience for anyone exploring our code. This is an internal file, and the one referenced in analysis scripts as the data objects are already in R data objects. v1.01 - Updated the names of each file with an ID number less than 3 digits to include leading 0s v1.0 - Initial public release Description Here we present an updated database of Western U.S. water right records. This database provides consistent unique identifiers for each water right record, and a consistent categorization scheme that puts each water right record into one of seven broad use categories. These data were instrumental in conducting a study of the multi-sector dynamics of inter-sectoral water allocation changes though water markets (Grogan et al., *in review*). Specifically, the data were formatted for use as input to a process-based hydrologic model, Water Balance Model (WBM), with a water rights module (Grogan et al., *in review*). While this specific study motivated the development of the database presented here, water management in the U.S. West is a rich area of study (e.g., Anderson and Woosly, 2005; Tidwell, 2014; Null and Prudencio, 2016; Carney et al., 2021) so releasing this database publicly with documentation and usage notes will enable other researchers to do further work on water management in the U.S. West. We produced the water rights database presented here in four main steps: (1) data collection, (2) data quality control, (3) data harmonization, and (4) generation of cumulative water rights curves. Each of steps (1)-(3) had to be completed in order to produce (4), the final product that was used in the modeling exercise in Grogan et al. (*in review*). All data in each step is associated with a spatial unit called a Water Management Area (WMA), which is the unit of water right administration utilized by the state in which the right came from. Steps (2) and (3) required use to make assumptions and interpretation, and to remove records from the raw data collection. We describe each of these assumptions and interpretations below so that other researchers can choose to implement alternative assumptions an interpretation as fits their research aims. Motivation for Changing Data Sources The most significant change has been a switch from collecting the raw water rights directly from each state to using the water rights records presented in WestDAAT, a product of the Water Data Exchange (WaDE) Program under the Western States Water Council (WSWC). One of the main reasons for this is that each state of interest is a member of the WSWC, meaning that WaDE is partially funded by these states, as well as many universities. As WestDAAT is also a database with consistent categorization, it has allowed us to spend less time on data collection and quality control and more time on answering research questions. This has included records from water right sources we had previously not known about when creating v1.0 of this database. The only major downside to utilizing the WestDAAT records as our raw data is that further updates are tied to when WestDAAT is updated, as some states update their public water right records daily. However, as our focus is on cumulative water amounts at the regional scale, it is unlikely most records updates would have a significant effect on our results. The structure of WestDAAT led to several important changes to how HarWR is formatted. The most significant change is that WaDE has calculated a field known as `SiteUUID`, which is a unique identifier for the Point of Diversion (POD), or where the water is drawn from. This separate from `AllocationNativeID`, which is the identifier for the allocation of water, or the amount of water associated with the water right. It should be noted that it is possible for a single site to have multiple allocations associated with it and for an allocation to be able to be extracted from multiple sites. The site-allocation structure has allowed us to adapt a more consistent, and hopefully more realistic, approach in organizing the water right records than we had with HarDWR v1.0. This was incredibly helpful as the raw data from many states had multiple water uses within a single field within a single row of their raw data, and it was not always clear if the first water use was the most important, or simply first alphabetically. WestDAAT has already addressed this data quality issue. Furthermore, with v1.0, when there were multiple records with the same water right ID, we selected the largest volume or flow amount and disregarded the rest. As WestDAAT was already a common structure for disparate data formats, we were better able to identify sites with multiple allocations and, perhaps more importantly, allocations with multiple sites. This is particularly helpful when an allocation has sites which cross WMA boundaries, instead of just assigning the full water amount to a single WMA we are now able to divide the amount of water between the number of relevant WMAs. As it is now possible to identify allocations with water used in multiple WMAs, it is no longer practical to store this information within a single column. Instead the stAllocationToWMATab.csv file was created, which is an allocation by WMA matrix containing the percent Place of Use area overlap with each WMA. We then use this percentage to divide the allocation's flow amount between the given WMAs during the cumulation process to hopefully provide more realistic totals of water use in each area. However, not every state provides areas of water use, so like HarDWR v1.0, a hierarchical decision tree was used to assign each allocation to a WMA. First, if a WMA could be identified based on the allocation ID, then that WMA was used; typically, when available, this applied to the entire state and no further steps were needed. Second was the spatial analysis of Place of Use to WMAs. Third was a spatial analysis of the POD locations to WMAs, with the assumption that allocation's POD is within the WMA it should belong to; if an allocation still had multiple WMAs based on its POD locations, then the allocation's flow amount would be divided equally between all WMAs. The fourth, and final, process was to include water allocations which spatially fell outside of the state WMA boundaries. This could be due to several reasons, such as coordinate errors / imprecision in the POD location, imprecision in the WMA boundaries, or rights attached with features, such as a reservoir, which crosses state boundaries. To include these records, we decided for any POD which was within one kilometer of the state's edge would be assigned to the nearest WMA. Other Changes WestDAAT has Allowed In addition to a more nuanced and consistent method of assigning water right's data to WMAs, there are other benefits gained from using the WestDAAT dataset. Among those is a consistent categorization of a water right's legal status. In HarDWR v1.0, legal status was effectively ignored, which led to many valid concerns about the quality of the database related to the amounts of water the rights allowed to be claimed. The main issue was that rights with legal status' such as "application withdrawn", "non-active", or "cancelled" were included within HarDWR v1.0. These, and other water rights status' which were deemed to not be in use have been removed from this version of the database. Another major change has been the addition of the "unspecified water source category. This is water that can come from either surface water or groundwater, or the source of which is unknown. The addition of this source category brings the total number of categories to three. Due to reviewer feedback, we decided to add the acre-foot (AF) column so that the data may be more applicable to a wider audience. We added the ownerClassification column so that the data may be more applicable to a wider audience. File Descriptions The dataset is a series of various files organized by state sub-directories. In addition, each file begins with the state's name, in case the file is separate from its sub-directory for some reason. After the state name is the text which describes the contents of the file. Here is each file described in detail. Note that st is a placeholder for the state's name. stFullRecords_HarmonizedRights.csv: A file of the complete water records for each state. The column headers for each of this type of file are: state - The name of the state to which the allocations belong to. FIPS - The two digit numeric state ID code. siteID - The site location ID for POD locations. A site may have multiple allocations, which are the actual amount of water which can be drawn. In a simplified hypothetical, a farm stead may have an allocation for "irrigation" and an allocation for "domestic" water use, but the water is drawn from the same pumping equipment. It should be noted that many of the site ID appear to have been added by WaDE, and therefore may not be recognized by a given state's water rights database. allocationID - The allocation ID for the water right. For most states this is the water right ID, and what is recommended to use should a right be looked up on a given state's water rights database. The water amounts associated with these IDs tend to be finer scaled than those associated with siteID. It should be noted that some allocations may be extracted from multiple sites, particularly for larger Places of Use. ownerClassification - A classification of the types of owners for water rights. The most common is `Private` which incorporates a wide range of entities. Several classifications would be grouped into a government category, most of which are for the U.S. Federal Government. These allocations could be listed as "Federal", "United States of America", or as the names of any number of federal agencies. The last major grouping of entities is for "Native American"s. priorityDate - The date we use as the water right priority date for our modeling analysis. This is the legal priority date when it is available. However, for some rights, specifically from California and New Mexico, we used a pseudo priority date (e.g. well completion date or start of well drilling date) when a legal priority date was not available. The most questionable dates come from New Mexico, where the only date associated with certain water right records was the date the allocation was recorded in the database. As the allocation record creation tended to be within a few months of the filing of the application of the water right, from manually double checking the water rights, and our analysis focuses on aggregating water rights on the timescale of years, we determined it was acceptable to use such dates to include as many records as possible. primaryBeneficialUse - From the numerous state water use categories, WaDE categorized them into 21 categories WestDAAT. This column is the original WaDE category for the primary water use at the PoD site. allocationBeneficialUse - From the numerous state water use categories, WaDE categorized them into 21 categories for WestDAAT. This column is the original WaDE category

Economics↗