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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 OSTI2023

Are grid cells used for navigation? On local metrics, subjective spaces, and black holes

The symmetric, lattice-like spatial pattern of grid-cell activity is thought to provide a neuronal global metric for space. This view is compatible with grid cells recorded in empty boxes but inconsistent with data from more naturalistic settings. Here, we review evidence arguing against the global-metric notion, including the distortion and disintegration of the grid pattern in complex and three-dimensional environments. We argue that deviations from lattice symmetry are key for understanding grid-cell function. We propose three possible functions for grid cells, which treat real-world grid distortions as a feature rather than a bug. First, grid cells may constitute a local metric for proximal space rather than a global metric for all space. Second, grid cells could form a metric for subjective action-relevant space rather than physical space. Third, distortions may represent salient locations. Finally, we discuss mechanisms that can underlie these functions. These ideas may transform our thinking about grid cells.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Development of inter-grid-cell lateral unsaturated and saturated flow model in the E3SM Land Model (v2.0)

Abstract. The lateral transport of water in the subsurface is important in modulating terrestrial water energy distribution. Although a few land surface models have recently included lateral saturated flow within and across grid cells, it is not a default configuration in the Climate Model Intercomparison Project version 6 experiments. In this work, we developed the lateral subsurface flow model within both unsaturated and saturated zones in the Energy Exascale Earth System Model (E3SM) Land Model version 2 (ELMv2.0). The new model, called ELMlat, was benchmarked against PFLOTRAN, a 3D subsurface flow and transport model, for three idealized hillslopes that included a convergent hillslope, divergent hillslope, and tilted V-shaped hillslope with variably saturated initial conditions. ELMlat showed comparable performance against PFLOTRAN in terms of capturing the dynamics of soil moisture and groundwater table for the three benchmark hillslope problems. Specifically, the mean absolute errors (MAEs) of the soil moisture in the top 10 layers between ELMlat and PFLOTRAN were within 1 %±3 %, and the MAEs of water table depth were within ±0.2 m. Next, ELMlat was applied to the Little Washita experimental watershed to assess its prediction of groundwater table, soil moisture, and soil temperature. The spatial pattern of simulated groundwater table depth agreed well with the global groundwater table benchmark dataset generated from a global model calibrated with long-term observations. The effects of lateral groundwater flow on the energy flux partitioning were more prominent in lowland areas with shallower groundwater tables, where the difference in simulated annual surface soil temperature could reach 0.3–0.4 ∘C between ELMv2.0 and ELMlat. Incorporating lateral subsurface flow in ELM improves the representation of the subsurface hydrology, which will provide a good basis for future large-scale applications.

58 GEOSCIENCES↗
DOE OSTI2025

Re-examining urban rainfall enhancement over North America

Abstract Quantifying intensification/suppression of precipitation over urban areas relative to their rural surroundings can inform efforts to reduce urban flooding. Few studies have systematically addressed whether urban areas exhibit a higher/lower probability of precipitation and/or higher/lower annual total precipitation and/or intensification/weakening of intense precipitation events relative to nearby rural areas across a range of hydroclimatic conditions and urban contexts. Here we address this literature gap using the IMERG V07 data set and analyses of rural and urban samples drawn from 47 conurbations across North America. Specifically, we quantify whether/how precipitation regimes over the urban grid cells differ from those in rural grid cells located 100–250 km from the city center and at a similar elevation. As in previous research, there is evidence that both the probability of precipitation and annual total precipitation are typically higher in the urban grid cells. However, most conurbations have lower upper percentile precipitation rates in the urban sample and lower median precipitation rates above the 95th percentile than are present in samples drawn from rural grid cells. Thus, these conurbations are not, on average, intensifying high-magnitude precipitation events over urban grid cells. Further, the total volume of water accumulated at the surface during events of equivalent duration is not systematically higher over the urban areas, and 20 year return period values of 30 min and wettest pentad precipitation are also not systematically higher over the urban areas. The nature of urban modification of precipitation is a strong function of the prevailing hydroclimate. For example, the heaviest rainfall periods are enhanced over urban grid cells within regional hydroclimates where the overall probability of precipitation and annual total precipitation are low. Conversely, there is evidence for urban suppression of the highest percentile precipitation rates in wetter hydroclimates.

Pryor, Sara C. (ORCID:0000000348473440)↗
DOE OSTI2024

Globally Gridded Groundwater Extraction Volumes and Costs under Six Depletion and Ponded Depth Targets

This repository contains simulated outputs from superwell – a hydro-economic tool for long-term assessment of groundwater cost and supply – providing globally gridded groundwater extractable volumes and associated unit costs ($/km³) for accessible groundwater production, based on a variety of user-defined depletion and ponded depth scenarios. Key model documentation: Niazi, H., Ferencz, S. B., Graham, N. T., Yoon, J., Wild, T. B., Hejazi, M., Watson, D. J., & Vernon, C. R. (2025). Long-term hydro-economic analysis tool for evaluating global groundwater cost and supply: Superwell v1.1. Geoscientific Model Development, 18(5), 1737-1767. https://doi.org/10.5194/gmd-18-1737-2025 Find the source code of the superwell model on GitHub: https://github.com/JGCRI/superwell Repository Overview Main output: superwell_outputs.7z contains 6 files (4.5 GB) named as superwell_py_deep_all_0.*PD_0.*DL.csv. These files present superwell outputs of global groundwater extraction volumes and cost estimates on a 0.5° scale for six scenarios with different Ponded Depth (PD; 0.3 and 0.6 m) and Depletion Limit (DL; 5%, 25%, and 40% of available volume) targets over the entire pumping lifetime of a grid cell superwell_py_deep_all_0.3PD_0.25DL_sample_100.csv contains superwell outputs for 100 data points sampled to match the global inputs' distribution superwell_py_deep_all_0.3PD_0.25DL_Grid_72548.csv contains superwell output for a single grid cell concept_v5.png provides an overview of the superwell workflow Outputs Description year_number: year of pumping depletion_limit: set depletion limit (DL) as a volume fraction of total available groundwater Mappings: continent, country, gcam_basin_id, Basin_long_name, grid_id: geographic identifiers and basin information Inputs: grid_area (km²): area of the grid cell whyclass: hydrogeological classification of the aquifer permeability (m/day), porosity (%), total_thickness (m), depth_to_water (m): aquifer properties. The geo-processed input data has been published separately: https://doi.org/10.57931/2307831 Model outputs: orig_aqfr_sat_thickness (m), aqfr_sat_thickness (m): original and remaining/instantaneous saturated thickness of the aquifer hydraulic_conductivity (m/day), transmissivity (m²/day): hydraulic properties of the aquifer radius_of_influence (m), areal_extent (km²): well radius and area of influence from the center of the well number_of_wells (-): number of wells in a grid cell determined by a ratio of well area and grid area max_drawdown (m), drawdown (m), drawdown_interference (m): well and aquifer drawdown during extraction total_head (m): total lift for the groundwater (depth to water plus drawdown) total_well_length (m): total depth of wells drilled well_yield (m³/day): pumping rate or well yield power (kW), energy (kWh): power and energy required for pumping groundwater Volume Outputs: volume_produced_perwell (m³), cumulative_vol_produced_perwell (m³): production volume metrics per well volume_produced_allwells (m³), cumulative_vol_produced_allwells (m³): aggregate extraction volumes for all wells in a grid cell available_volume (m³): available groundwater in storage for the grid cell as determined by aquifer properties depleted_vol_fraction: fraction of total volume pumped over available volumes in a grid cell (same as depletion limit) Cost Outputs: well_installation_cost ($): well installation cost based on the hydrogeological complexity of the aquifer annual_capital_cost, maintenance_cost, nonenergy_cost ($): nonenergy costs energy_cost_rate ($/kWh): electricity rate energy_cost ($): energy cost of pumping groundwater total_cost_perwell ($), total_cost_allwells ($): total annual energy and non-energy cost for each and all wells in a grid cell a unit_cost ($/m³), unit_cost_per_km3 ($/km³), unit_cost_per_acreft ($/acre-ft): total cost of pumping a unit of groundwater, indicated for different spatial units Key Resources Model documentation: Niazi, H., Ferencz, S., Graham, N., Yoon, J., Wild, T., Hejazi, M., Watson, D., & Vernon, C. (2024; In-prep). Long-term Hydro-economic Assessment Tool for Evaluating Global Groundwater Cost and Supply: Superwell v1. Geoscientific Model Development. Input data: Niazi, H., Watson, D., Hejazi, M., Yonkofski, C., Ferencz, S., Vernon, C., Graham, N., Wild, T., & Yoon, J. (2024). Global Geo-processed Data of Aquifer Properties by 0.5° Grid, Country and Water Basins. MSD-LIVE Data repository. https://doi.org/10.57931/2307831 superwell source code: https://github.com/JGCRI/superwell Cite as Niazi, H., Ferencz, S., Yoon, J., Graham, N., Wild, T., Hejazi, M., Watson, D., & Vernon, C. (2024). Globally Gridded Groundwater Extraction Volumes and Costs under Six Depletion and Ponded Depth Targets. MSD-LIVE Data repository. https://doi.org/10.57931/2307832 Contact Reach out to Hassan Niazi or Stephen Ferencz or open an issue in the superwell repository for questions or suggestions.

Earth Systems↗
DOE OSTI2024

Behavioral Ensemble CLM5 Hydrological Parameter Sets

This repository contains hydrological parameter sets derived using the hybrid regionalization method for three distinct streamflow signatures: Streamflow Signatures: Q10: Represents low flow, indicating the nonexceedance probability of 0.1 for daily streamflow. Q90: Represents high flow, with a nonexceedance probability of 0.9 for daily streamflow. Qmean: Indicates the mean annual flow. Parameters for 464 CAMELS Basins: CAMELS_1000_parameters.csv: Contains 1,000 ensemble parameter sets generated using the Latin hypercube sampling method for CLM5, encompassing 15 hydrological parameters. CAMELS_q10_behavioral_parameter_num.csv: Provides the behavioral ensemble parameter sets for the Q10 streamflow signature for each basin. The associated ID number refers to entries in the CAMELS_1000_parameters.csv file. A minimum of 10 ensemble parameter sets are available for each basin. CAMELS_q90_behavioral_parameter_num.csv: Similar to the above file but for the Q90 streamflow signature. CAMELS_qmean_behavioral_parameter_num.csv: Corresponds to the Qmean streamflow signature, similar to the previous files. Parameters for 50,629 1/8° CONUS Land Grid Cells: CONUS_350_parameters.csv: Contains 350 ensemble parameter sets derived using the Latin hypercube sampling method for CLM5's 15 hydrological parameters within 1/8° CONUS land grid cells. CONUS_q10_behavioral_parameter_num.csv: Holds the behavioral ensemble parameter sets for the Q10 streamflow signature, organized for each grid cell. The ID number relates to entries in CONUS_350_parameters.csv. A minimum of 10 ensemble parameter sets are provided for each grid cell. CONUS_q90_behavioral_parameter_num.csv: Similar to the above file but focusing on the Q90 streamflow signature. CONUS_qmean_behavioral_parameter_num.csv: Corresponds to the Qmean streamflow signature, following a similar structure to the previous files.

Yan, Hongxiang↗
DOE OSTI2020

An arbitrarily high-order three-dimensional Cartesian-grid method for reconstructing interfaces from volume fraction fields

Here Tthis work describes a newly developed, arbitrarily high-order Cartesian-grid method for reconstructing material interfaces from a volume fraction field. The method begins by identifying all of the grid cells in the volume fraction field that are intersected by the interface and need to be approximated by the reconstruction scheme. Finite-differences are used to calculate the gradient of the volume fraction field and provide an estimate of the surface normal in all of the interfacial grid cells. Groups of connected grid cells are then identified which all have the same dominant component of the normal vector. This grouping by orientation determines the proper dependent variable to use in the surface reconstruction (e.g. for a 2D curve, this step determines if the surface will be approximated by a function of x or y). A cumulative integral over the surface is constructed and fit using b-splines for two-dimensional problems or tensor-product b-splines for three-dimensional problems. This construction allows for the interface to be recovered through application of the second fundamental theorem of calculus. Fitting the cumulative integral with $\mathscr{N}$ th-order b-splines (or tensor-product b-splines) yields an ($\mathscr{N}$-1) th-order convergence rate of the interface shape. Differentiation of the b-spline interface function(s) allows for the high-order approximation of the normal vector and curvature to be obtained directly anywhere along b-spline. Together, the proposed reconstruction technique can achieve arbitrarily high mesh convergence rates. Validation tests are presented with mesh convergence rates ranging from fourth- to tenth-order.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Energy Infrastructure Futures: A Multiscale Evaluation of Projected Power Plant Siting Across the Western Interconnection

Energy Infrastructure Futures: A Multiscale Evaluation of Projected Power Plant Siting Across the Western Interconnection Description This dataset contains input and output data for the manuscript Mongird, K. et al. (under review) titled "Energy Infrastructure Futures: A Multiscale Evaluation of Projected Power Plant Siting Across the Western Interconnection". Input data corresponds to gridded spatial siting attributes that are necessary to conduct a random forest machine learning analysis of siting feature importance. Output data includes SHAP feature analysis outputs, and classification report values. For data on power plant siting results referred to in the manuscript, please refer to the CERF: IM3 Projected Western US Power Plant Locations data download page. The downloadable data includes values for eight different future scenarios for the Western US. The scenarios include combinations of two Shared Socioeconomic Pathways (SSP3 and SSP5) with four high-resolution climate projections specific to the United States (see, https://tgw-data.msdlive.org/). These climate projections include "hotter" and "cooler" variants for two Representative Concentration Pathways (RCP4.5 and RCP8.5). The resulting eight simulations are: rcp45cooler_ssp3 rcp45cooler_ssp5 rcp45hotter_ssp3 rcp45hotter_ssp5 rcp85cooler_ssp3 rcp85cooler_ssp5 rcp85hotter_ssp3 rcp85hotter_ssp5 Technical Information The dataset includes two sets of data files: (1) CERF gridded siting parameters and (2) Feature analysis outputs and classification reports. All downloadable data is in csv file format. Files with x/y coordinate information use the Albers Equal Area Conic projection (ESRI:102003). 1. CERF Gridded Siting Parameters This directory provides a balanced sample of gridded CERF siting parameters data for eight different scenarios for the Western US through 2055, seven different technologies, and eight timesteps. This data serves as input to the feature analysis. It contains the following parameters. region_name - name of region (i.e., state) sited - binary value representing whether the grid cell received a siting of that technology type (1=True) rcp - binary value representing scenario resource concentration pathway (0 = RCP4.5, 1 = RCP8.5) ssp - binary value representing scenario shared socioeconomic pathway (0 = SSP3, 1 = SSP5) climate - binary value representing cooler (0) or hotter (1) GCM forcing tech_name - generation technology name sited_year - year that values correspond to transmission_cost - cost of transmission interconnection pipeline_cost - cost of natural gas pipeline interconnection interconnection_cost - total interconnection cost (sum of transmission cost and gas pipeline cost) lmp - associated locational marginal value ($/MWh) associated with the grid cell, timestep, scenario, and technology xcoord - x-coordinate of location ycoord - y-coordinate of location 2a. Feature Analysis Output The dataset includes the feature analysis shap output for locational marginal price and interconnection cost. It contains the following parameters. technology - generator technology name scenario - name of scenario feature - name of feature, either locational_marginal_price or interconnection_cost value - the mean of absolute value of SHAP values for given feature 2b. Feature Analysis Classification Report This download includes the classification report associated with each random forest model. The dataset contains the following parameters. technology - generation technology name scenario - name of scenario test - one of precision (the proportion of predicted positives that are actually correct), recall (the proportion of actual positives that were correctly identified), f1-score (the harmonic mean of precision and recall) 0.0 - value of test for classification of 0 (grid cell not chosen for siting) 1.0 - value of test for classification of 1 (grid cell chosen for siting) accuracy - accuracy of model (i.e., fraction of all predictions that were right) macro avg - Simple average of test values for all classes weighted avg - Weighted average of test values for all classes, weighted based on Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall [Pacific Northwest National Labor↗
DOE OSTI2025

Package Data for CERF-Data Centers

This dataset contains sample input 100m resolution raster files for running the CERF-DC python package (see https://github.com/IMMM-SFA/cerf_data_centers) at the state level across the CONUS. Due to data availability constraints, some of the items included in this dataset are proxies or assumptions for siting factors used in the model. These are individually noted in the item descriptions and can be exchanged with more detailed information upon availability. Data Descriptions The following raster files are included in the data download: state_siting_region.tif — State areas identified by state FIPS code composite_siting_suitability.tif — Value of 1 indicates suitable siting location, 0 otherwise. The following areas are excluded from siting: Areas within 300m of a federal airport runway Waterbodies Areas with slope >16% Areas susceptible to sinkholes High coastal or inland flood risk areas Local, state, and federal parks, leisure areas, and cemeteries Areas >2 km away from electric substations Areas >5 km away from a municipal water supplier service area Areas >2 km away from high-speed fiber provider service territory Protected Areas Database of the United States (PAD-US) areas Railroads, major roadways, and minor roadways Military areas and training grounds Developed lands Areas >0.8 km (0.5 miles) from developed lands land_value_dollar_per_sqft.tif — USD per square foot (sqft) derived from USDA $/acre land cost personal_property_tax_rate.tif — Personal property tax rate by state. Uses an assumed 0.0125 personal property tax rate for states with personal property tax, 0 for states without personal property tax. real_property_tax_rate.tif — Real property tax rate. Based on county level residential real estate property tax rates. sales_tax_rate.tif — Sales tax rate by state. mechanical_cooling_fraction.tif — Fraction of year (values between 0 and 1, inclusive) that the data center would be cooled through mechanical processes based on local water stress and humidity levels. water_cooling_fraction.tif — Fraction of year (values between 0 and 1, inclusive) that the data center would be cooled through evaporative (water cooled) processes based on local water stress and humidity levels. distance_to_substation.tif — Distance to nearest substation in hundreds of meters (i.e., value of 1 equals a distance of 100m). Offshore areas have a value of 0. industrial_electricity_rates_dollar_per_kwh.tif — USD/kWh industrial electricity rates. Represents the average industrial rate across all utilities that operate within a given county. Values are derived from the US Utility Rate Database. commercial_electricity_rates_dollar_per_kwh.tif — USD/kWh commercial electricity rates. Represents the average commercial rate across all utilities that operate within a given county. Values are derived from the US Utility Rate Database. data_center_market_locations.tif — Grid cells with positive values represent the centroid of existing data center market clusters. The value of non-zero grid cells represents the number of data centers in the market cluster. All other grid cells have a value of 0. Geospatial Metadata CRS: Albers Equal Area Conic (ESRI:102003) Extent: -2415585.0000000023283064,-1441981.2605773280374706 : 2384414.9999999976716936,1708018.7394226719625294 Dimensions: X: 48000 Y: 31500 Bands: 1 Origin: -2415585.0000000023283064,1708018.7394226719625294 Pixel Size: 100,-100 Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4.0 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall↗
DOE OSTI2026

Package Data for CERF-Data Centers

This dataset contains sample input 100m resolution raster files for running the CERF-DC python package (see https://github.com/IMMM-SFA/cerf_data_centers) at the state level across the CONUS. Due to data availability constraints, some of the items included in this dataset are proxies or assumptions for siting factors used in the model. These are individually noted in the item descriptions and can be exchanged with more detailed information upon availability. Data Descriptions The following raster files are included in the data download: state_siting_region.tif — State areas identified by state FIPS code composite_siting_suitability.tif — Value of 1 indicates suitable siting location, 0 otherwise. The following areas are excluded from siting: Areas within 300 m of a federal airport runway or within an airport area boundary Waterbodies Areas with slope >16% Areas susceptible to sinkholes High coastal or inland flood risk areas Local, state, and federal parks, leisure areas, and cemeteries Areas >2 km away from electric substations Areas >5 km away from a municipal water supplier service area Areas >2 km away from high-speed fiber provider service territory USGS Protected Areas Database of the United States (PAD-US) GAP status 1, 2, or 3 areas US National Parks Wetlands USFWS critical habitats BIA land areas Railroads, major roadways, and minor roadways Military areas and training grounds NLCD developed lands Areas >0.8 km (0.5 miles) from NLCD developed lands land_value_dollar_per_sqft.tif — USD per square foot (sqft) derived from USDA $/acre land cost personal_property_tax_rate.tif — Personal property tax rate by state. Uses an assumed 0.0125 personal property tax rate for states with personal property tax, 0 for states without personal property tax. real_property_tax_rate.tif — Real property tax rate. Based on county level residential real estate property tax rates. sales_tax_rate.tif — Sales tax rate by state. mechanical_cooling_fraction.tif — Fraction of year (values between 0 and 1, inclusive) that the data center would be cooled through mechanical processes based on local water stress and humidity levels. water_cooling_fraction.tif — Fraction of year (values between 0 and 1, inclusive) that the data center would be cooled through evaporative (water cooled) processes based on local water stress and humidity levels. distance_to_substation.tif — Distance to nearest substation in hundreds of meters (i.e., value of 1 equals a distance of 100m). Offshore areas have a value of 0. industrial_electricity_rates_dollar_per_kwh.tif — USD/kWh industrial electricity rates. Represents the average industrial rate across all utilities that operate within a given county. Values are derived from the US Utility Rate Database. commercial_electricity_rates_dollar_per_kwh.tif — USD/kWh commercial electricity rates. Represents the average commercial rate across all utilities that operate within a given county. Values are derived from the US Utility Rate Database. data_center_market_locations.tif — Grid cells with positive values represent the centroid of existing data center market clusters. The value of non-zero grid cells represents the number of data centers in the market cluster. All other grid cells have a value of 0. Geospatial Metadata CRS: Albers Equal Area Conic (ESRI:102003) Extent: -2415585.0000000023283064,-1441981.2605773280374706 : 2384414.9999999976716936,1708018.7394226719625294 Dimensions: X: 48000 Y: 31500 Bands: 1 Origin: -2415585.0000000023283064,1708018.7394226719625294 Pixel Size: 100,-100 Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4.0 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall↗
DOE OSTI2022

AutoBEM-DynamicArchetypes

Automatic Building Energy Modeling (AutoBEM, https://bit.ly/AutoBEM) has been used to create an OpenStudio and EnergyPlus building energy model of 122.9 million U.S. buildings (https://bit.ly/ModelAmerica). Simulating and analyzing a model of every building for large areas (e.g. cities) is often not feasible. This dynamic archetyping capability uses a representative building and calculates a floor-space multiplier that allows millions of buildings to be represented by less than 100 buildings. This script (WRF_Archetypes_Parallel.py) calculates these building archetypes for each of the grid cells from a Weather Research and Forecasting (WRF) model in a parallel fashion. The script works by looping through each of the grid cells in the shapefile in parallel, spatially joining the building metadata table to each grid cell, aggregating relevant archetypes and calculating necessary statistics related to area and number of buildings in each cell. The output is a table (.csv) in which each row is an archetype building with properties about that building as well as statistics that relate that building to the total cell (such as an area multiplier). The following inputs are required: WRF zone shapefile (.shp) (wrf-grids-origin_Vegas_Select_100.geojson) The projection of the shapefile ("EPSG:XXXX") Input table containing building metadata for area corresponding to shapefile (.csv) (https://zenodo.org/record/4552901#.YZQEotDMJPY - ClarkCounty2.csv) The number of cores that will be parallelized (integer) The output file name for the archetype table (.csv) Sample command line inputs: python3 ~/WRF_Archetypes_Parallel.py -i ~/wrf-grids-origin_Vegas_Select_100.geojson -c ~/ClarkCounty2.csv -o ~/OutputArchetypes.csv -j 72 -e EPSG:4326 Using Geopandas Version 0.9.0

Bass, Brett (0000000240988434)↗
DOE OSTI2022

Seismic Tomographic Modeling of the Crust and Upper Mantle beneath Israel and the Middle East: Improved Resolution through Optimized Model Parameterization

Accurate regional seismic travel-time (RSTT) predictions rely on regional phases (e.g., Pg, Lg, Pn, Sn ) to account for 3D effects in the crust and upper mantle that are not captured by 1D models traditionally used for real-time location. The RSTT prediction model accounts for regional-scale crust and upper mantle structure globally by incorporating regional seismic phases into its travel-time calculations. Previous versions of the RSTT model have used a constant grid cell size of 1°. To improve the tomographic accuracy of recovering velocity structure at regional scales, we, in this study, perform data-driven grid refinement on the RSTT model down to a 0.125° grid (~14 km) in pursuit of two main goals: (1) to test the limits of RSTT capability and accuracy of determined velocity structure through variable grid refinement and (2) to image smaller structures in Israel and the Middle East and illuminate upper mantle dynamics operating in this complex tectonic area. We investigate the effects of model parameterization as grid cell size decreases and the trade-offs between recovered velocity structures. Our final dataset includes 4751 events and 499 stations that recorded 79,344 Pn and 7489 Pg . The variable grid refinement method allows recovery of finer-scale velocity structures and reduces travel-time residuals in areas with the highest data coverage. At smaller grid cell sizes, longer paths need to be upweighted to stabilize the inversion. Results illuminate tectonic features undefined in coarser grid-size models; in particular, we observe mantle perturbations related to the subduction zone around the Cyprian arc and crustal anomalies near the Dead Sea fault and throughout the Anatolian plate.

58 GEOSCIENCES↗
DOE OSTI2023

Spatial and temporal variation in forest transpiration across a forested boreal peatland complex

Transpiration is a globally important component of evapotranspiration. Careful upscaling of transpiration from point measurements is thus crucial for quantifying water and energy fluxes. In spatially heterogeneous landscapes common across the boreal biome, upscaled transpiration estimates are difficult to determine due to variation in local environmental conditions (e.g., basal area, soil moisture, permafrost). Here, we sought to determine stand-level attributes that influence transpiration scalars for a forested boreal peatland complex consisting of sparsely treed wetlands and densely treed permafrost plateaus as land cover types. The objectives were to quantify spatial and temporal variability in stand-level transpiration, and to identify sources of uncertainty when scaling point measurements to the stand-level. Using heat ratio method sap flow sensors, we determined sap velocity for black spruce and tamarack for 2-week periods during peak growing season in 2013, 2017 and 2018. We found greater basal area, drier soils, and the presence of permafrost increased daily sap velocity in individual trees, suggesting that local environmental conditions are important in dictating sap velocity. When sap velocity was scaled to stand-level transpiration using gridded 20 × 20 m resolution data across the ~10 ha Scotty Creek ForestGEO plot, we observed significant differences in daily plot transpiration among years (0.17–0.30 mm), and across land cover types. Daily transpiration was lowest in grid-cells with sparsely treed wetlands compared to grid-cells with well-drained and densely treed permafrost plateaus, where daily transpiration reached 0.80 mm, or 30% of the daily evapotranspiration. When transpiration scalars (i.e., sap velocity) were not specific to the different land cover types (i.e., permafrost plateaus and wetlands), scaled stand-level transpiration was overestimated by 42%. To quantify the relative contribution of tree transpiration to ecosystem evapotranspiration, we recommend that sampling designs stratify across local environmental conditions to accurately represent variation associated with land cover types, especially with different hydrological functioning as encountered in rapidly thawing boreal peatland complexes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Deep Learning Based Approach to Integrate MyShake's Trigger Data with ShakeAlert for Faster and Robust EEW Alerts

Earthquake Early Warning (EEW) systems depend on the dense seismic network to make fast and accurate earthquake detections to issue useful early alerts. The recent development and implementation of the ShakeAlert system is relying on the west coast seismic network to detect and estimate the earthquake parameters in real-time. While working on making improvements on the current system, one potential approach is to include more seismic recordings from various sources, such as the low-cost smartphone seismic network, such as the MyShake network, or the Google Android smartphones, since these smartphone seismic networks have much more portable stations (phones) to potentially provide useful data to the system. This report summarizes the initial exploration of using a deep learning approach to combine the data from both traditional seismic stations and the smartphone data in California. Due to the heterogeneity nature of the data, we aggregate data from the phones (using simulation data), as well as that from traditional seismic stations to grid cells. By generating real-time triggering ratio grid cell maps, the designed deep learning algorithm can process the data from multiple sources and detect the earthquake faster than only using that from a traditional seismic network.

58 GEOSCIENCES↗
DOE OSTI2020

Correlation Function Approach for Diffusion in Confined Geometries

This paper describes a formalism for extracting spatially varying transport coefficients from simulations of a molecular fluid in a nano channel. This approach is applied to self-diffusion of a Lennard-Jones fluid confined between two parallel surfaces. A numerical grid is laid over the domain confining the fluid, and fluid properties are projected onto the grid cells. The time correlation functions between properties in different grid cells are calculated and can be used as the basis for a fitting procedure for extracting spatially varying diffusion coefficients from the simulation. Results for the Lennard-Jones system show that transport behavior varies sharply near the liquid-solid boundary and that the changes depend on the details of the liquid-solid interaction. A quantitative difference between the reduced and detailed models is discussed. It is found that the difference could be associated with assumptions about the form of the transport equations at molecular scales in lieu of problems with the method itself. The study suggests that this approach to fitting molecular simulations to continuum equations may guide the development of appropriate coarse-grained equations to model transport phenomena at nanometer scales.

Nanoscale flow, Transport, molecular simulation↗
DOE OSTI2022

Upscaling Methane Flux From Plot Level to Eddy Covariance Tower Domains in Five Alaskan Tundra Ecosystems

Spatial heterogeneity in methane (CH 4 ) flux requires a reliable upscaling approach to reach accurate regional CH 4 budgets in the Arctic tundra. In this study, we combined the CLM-Microbe model with three footprint algorithms to scale up CH 4 flux from a plot level to eddy covariance (EC) tower domains (200 m × 200 m) in the Alaska North Slope, for three sites in Utqiaġvik (US-Beo, US-Bes, and US-Brw), one in Atqasuk (US-Atq) and one in Ivotuk (US-Ivo), for a period of 2013–2015. Three footprint algorithms were the homogenous footprint (HF) that assumes even contribution of all grid cells, the gradient footprint (GF) that assumes gradually declining contribution from center grid cells to edges, and the dynamic footprint (DF) that considers the impacts of wind and heterogeneity of land surface. Simulated annual CH 4 flux was highly consistent with the EC measurements at US-Beo and US-Bes. In contrast, flux was overestimated at US-Brw, US-Atq, and US-Ivo due to the higher simulated CH 4 flux in early growing seasons. The simulated monthly CH 4 flux was consistent with EC measurements but with different accuracies among footprint algorithms. At US-Bes in September 2013, RMSE and NNSE were 0.002 μmol m −2 s −1 and 0.782 using the DF algorithm, but 0.007 μmol m −2 s −1 and 0.758 using HF and 0.007 μmol m −2 s −1 and 0.765 using GF, respectively. DF algorithm performed better than the HF and GF algorithms in capturing the temporal variation in daily CH 4 flux each month, while the model accuracy was similar among the three algorithms due to flat landscapes. Temporal variations in CH 4 flux during 2013–2015 were predominately explained by air temperature (67–74%), followed by precipitation (22–36%). Spatial heterogeneities in vegetation fraction and elevation dominated the spatial variations in CH 4 flux for all five tower domains despite relatively weak differences in simulated CH 4 flux among three footprint algorithms. The CLM-Microbe model can simulate CH 4 flux at both plot and landscape scales at a high temporal resolution, which should be applied to other landscapes. Integrating land surface models with an appropriate algorithm provides a powerful tool for upscaling CH 4 flux in terrestrial ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Dynamically Downscaled (WRF) 1km, Hourly Meteorological Conditions 1987-2020. East/Taylor Watersheds

This dataset contains meteorological output from the Weather Research and Forecasting (WRF) version 3.8.1. This dataset has been created to 1) investigate hydrometeorological processes impacting the East River and water-delivery to the Critical Zone, and 2) provide meteorological forcing data for distributed Earth-science modeling applications in the East River watershed. Variables have a 1 kilometer spatial resolution and hourly temporal resolution and encompass a rectangular region encompassing the East and Taylor River watersheds, Colorado, near the town of Crested Butte. WRF was forced using Climate Forecast System Reanalysis (CFSR) lateral boundary conditions. Each .zip file contains one "water year" of data (October 1 -- September 30; i.e. water year 2017 starts October 1, 2016 and ends September 30, 2017). Each zip folder contains 12 netcdf (.nc) files containing one month of hourly data each and are approximately 250mb. Model timestamps are in UTC time.The files contain the following data variables:EAST_MASK: binary mask of the watershed regionTAYLOR_MASK: binary mask of the watershed regionGLW downwelling longwave radiation (w/m2)HR_PRCP: Hourly Precipitation Rate (mm/hr). Includes all hydrometeors (solid+liquid). HFX NoahMP LSM total grid-cell modelled sensible heat flux (w/m2) [positive towards atmosphere]LH NoahMP LSM total grid-cell modelled latent heat flux (w/m2) [positive towards atmosphere; can be converted to ET]PSFC Surface Barometric Pressure (hPa)Q2 Two-meter specific humidity (kg/kg)SWDOWN Downwelling shortwave solar radiation (w/m2)SWNORM Terrain-normal downwelling shortwave radiation (w/m2)T2 Two-meter air temperature (deg K)U10 10-m U-component of wind velocity (m/s)V10 10m V-component of wind velocity (m/s)XLAT Latitude of grid-center point XLONG Longitude of grid-center point XTIME Model timestamp, **in UTC**

54 ENVIRONMENTAL SCIENCES↗