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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Version 4 CALIPSO Imaging Infrared Radiometer ice and liquid water cloud microphysical properties – Part I: The retrieval algorithms

Following the release of the version 4 Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) data products from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) mission, a new version (version 4; V4) of the CALIPSO Imaging Infrared Radiometer (IIR) Level 2 data products has been developed. The IIR Level 2 data products include cloud effective emissivities and cloud microphysical properties such as effective diameter and ice or liquid water path estimates. Dedicated retrievals for water clouds were added in V4, taking advantage of the high sensitivity of the IIR retrieval technique to small particle sizes. This paper (Part I) describes the improvements in the V4 algorithms compared to those used in the version 3 (V3) release, while results will be presented in a companion (Part II) paper. The IIR Level 2 algorithm has been modified in the V4 data release to improve the accuracy of the retrievals in clouds of very small (close to 0) and very large (close to 1) effective emissivities. To reduce biases at very small emissivities that were made evident in V3, the radiative transfer model used to compute clear-sky brightness temperatures over oceans has been updated and tuned for the simulations using Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2) data to match IIR observations in clear-sky conditions. Furthermore, the clear-sky mask has been refined compared to V3 by taking advantage of additional information now available in the V4 CALIOP 5 km layer products used as an input to the IIR algorithm. After sea surface emissivity adjustments, observed and computed brightness temperatures differ by less than ±0.2 K at night for the three IIR channels centered at 08.65, 10.6, and 12.05 µm, and inter-channel biases are reduced from several tens of Kelvin in V3 to less than 0.1 K in V4. We have also improved retrievals in ice clouds having large emissivity by refining the determination of the radiative temperature needed for emissivity computation. The initial V3 estimate, namely the cloud centroid temperature derived from CALIOP, is corrected using a parameterized function of temperature difference between cloud base and top altitudes, cloud absorption optical depth, and CALIOP multiple scattering correction factor. As shown in Part II, this improvement reduces the low biases at large optical depths that were seen in V3 and increases the number of retrievals. As in V3, the IIR microphysical retrievals use the concept of microphysical indices applied to the pairs of IIR channels at 12.05 and 10.6 µm and at 12.05 and 08.65 µm. The V4 algorithm uses ice look-up tables (LUTs) built using two ice habit models from the recent “TAMUice2016” database, namely the single-hexagonal-column model and the eight-element column aggregate model, from which bulk properties are synthesized using a gamma size distribution. Four sets of effective diameters derived from a second approach are also reported in V4. Here, the LUTs are analytical functions relating microphysical index applied to IIR channels 12.05 and 10.6 µm and effective diameter as derived from in situ measurements at tropical and midlatitudes during the Tropical Composition, Cloud, and Climate Coupling (TC4) and Small Particles in Cirrus Science and Operations Plan (SPARTICUS) field experiments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Reduced Order Modeling conditioned on monitored features for response and error bounds estimation in engineered systems

Reduced Order Models (ROMs) form essential tools across engineering domains by virtue of their function as surrogates for computationally intensive digital twinning simulators. Although purely data-driven methods are available for ROM construction, schemes that allow to retain a portion of the physics tend to enhance the interpretability and generalization of ROMs. However, physics-based techniques can adversely scale when dealing with nonlinear systems that feature parametric dependencies. This study introduces a generative physics-based ROM that is suited for nonlinear systems with parametric dependencies and is additionally able to provide numerical error bounds associated with the respective estimates. A main contribution of this work is the conditioning of these parametric ROMs to features that can be derived from monitoring measurements, feasibly in an online fashion. This is contrary to most existing ROM schemes, which remain restricted to the prescription of the physics-based, and usually a priori unknown, system parameters. Our work utilizes conditional Variational Autoencoders to continuously map the required reduction bases to a feature vector extracted from limited output measurements, while additionally allowing for a probabilistic assessment of the ROM-estimated Quantities of Interest. An auxiliary task using a neural network-based parametrization of suitable probability distributions is introduced to re-establish the link with physical model parameters. We verify the proposed scheme on a series of simulated case studies incorporating effects of geometric and material nonlinearity under parametric dependencies related to system properties and input load characteristics.

Conditional VAEs↗
DOE OSTI2022

The stellar parameters and elemental abundances from low-resolution spectra – I. 1.2 million giants from LAMOST DR8

As a typical data-driven method, deep learning becomes a natural choice for analysing astronomical data. In this study, we built a deep convolutional neural network (NN) to estimate basic stellar parameters $T\rm {_{eff}}$, log g , metallicity ([M/H] and [Fe/H]) and [α/M] along with nine individual elemental abundances ([C/Fe], [N/Fe], [O/Fe], [Mg/Fe], [Al/Fe], [Si/Fe], [Ca/Fe], [Mn/Fe], and [Ni/Fe]). The NN is trained using common stars between the APOGEE survey and the LAMOST survey. We used low-resolution spectra from LAMOST survey as input, and measurements from APOGEE as labels. For stellar spectra with the signal-to-noise ratio in g band larger than 10 in the test set, the mean absolute error (MAE) is 29 K for $T\rm {_{eff}}$, 0.07 dex for log g , 0.03 dex for both [Fe/H] and [M/H], and 0.02 dex for [α/M]. The MAE of most elements is between 0.02 and 0.04 dex. The trained NN was applied to 1210 145 giants, including sub-giants, from LAMOST DR8 within the range of stellar parameters 3500 K < $T\rm {_{eff}}$ < 5500 K, 0.0 dex < log g < 4.0 dex, −2.5 dex < [Fe/H] < 0.5 dex. The distribution of our results in the chemical spaces is highly consistent with APOGEE labels and stellar parameters show consistency with external high-resolution measurements from GALAH. The results in this study allow us to further studies based on LAMOST data and deepen our understanding of the accretion and evolution history of the Milky Way. The electronic version of the value added catalog is available at http://www.lamost.org/dr8/v1.1/doc/vac.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Puerto Rico Demand Response Impact and Forecast Tool (PR-DRIFT) - Beta Version [Slides]

Due to high fossil fuel imports, high electricity rates, an unreliable electricity grid, and 100% renewable electricity goals, demand response can play a crucial role for the Puerto Rico electricity grid. The Puerto Rico Demand Response Impact and Forecast Tool (PR-DRIFT) is a spreadsheet-based tool in which users can estimate the potential impacts of demand response, energy efficiency, and VRE and storage adoption in Puerto Rico from 2021 through 2040. The tool includes projections for solar, wind, and battery adoption based on released RFPs and energy targets (including Act-17 2019) to generate a projected net load profile for each hour through 2040. Based on user inputs and default assumptions, the tool also projects load profile impacts of demand response and energy efficiency, and is specifically focused on highlighting projected demand response technical potential. This demand response technical potential can be used by local utilities, regulators, program administrators, or researchers to help design demand response programs for larger impact.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Assessment of Potential Dose and Environmental Impacts from Proposed Testing at the INL National Security Test Range

This assessment uses screening level models to calculate potential environmental impacts from proposed tests at two locations at the Idaho National Laboratory (INL) National Security Test Range (NSTR) site. Proposed tests could be conducted using 11 different radioactive material types that include K 2 O, LaBr 3 , KBr, Cu, Zr, F, Ga, Ga 2 O 3 , NaNO 2 , Ga-68, and Tc-99m. The tests could potentially release radioactive material to the atmosphere and radionuclides and other contaminants to the soil, which could leach into the unsaturated zone and migrate to the aquifer. Atmospheric transport of radionuclides to potential human receptors and time-integrated air concentrations were calculated with a Gaussian plume model and three years of hourly meteorological data. Potential surface soil impacts were calculated with the computer program Mixing-Cell Model (MCM). Groundwater impacts were calculated with the computer programs MCM and GWSCREEN. Radiological doses from potential atmospheric releases were calculated for public receptors off the INL Site and for workers at nearby INL facilities. Results were compared to regulatory dose limits. Maximum potential groundwater concentrations were estimated in the aquifer below the NSTR site and compared to drinking water standards or risk-based screening levels for resident tap water. Soil concentrations were calculated and compared to risk-based screening levels for workers and potential future residents. All impacts were estimated based on the assumption that 12 tests are conducted annually using all 11 material types for 15 years. This document provides the resources to enable a subject matter expert in the field of environmental assessments to replicate the modeling and calculations. The methodology and parameters are presented in the text. All electronic files, including computer code input, output, executable files, batch files, scripts, and spreadsheet files, are contained in a zip file that can be accessed by selecting “Additional Information” (select Native File) in the INL Electronic Document Management System (EDMS).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

FUN-BioCROP model with litter decomposition parameters derived from the LIDET dataset

This repository contains the code and data necessary to run the FUN-BioCROP (Fixation and Uptake of Nitrogen-Bioenergy Carbon, Rhizosphere, Organisms, and Protection) model with litter decomposition parameters derived from a modified Monte Carlo simulation that used the Long-term Intersite Decomposition Experiment Team dataset. Related publication:Juice, S.M., Ridgeway, J.R., Hartman, M.D., Parton, W.J., Berardi, D.M., Sulman, B.N., Allen, K.E., & Brzostek, E.R. Reparameterizing litter decomposition using a simplified Monte Carlo method improves litter decay simulated by a microbial model and alters bioenergy soil carbon estimates. Description of Files: FUNBioCROP_LIDET Study.Rmd R code with FUN-BioCROP model that can be run with 10 different sets of parameters for litter decomposition (Baseline, LIDET, or eight other best parameter sets identified in the modified Monte Carlo simulation. CORPSE Functions_Bioenergy_V2.R Code with CORPSE model functions, called by FUNBioCROP_LIDET Study.Rmd Model Input Data: bulk.csv, bulk_till.csv, rhizo.csv, rhizo_till.csv, litter.csv Initial C and N (kg C or N/m2) pool values for each soil compartment, final values from spin up. All five files have the same columns: (Column - Description - Units) uFastC - Unprotected fast decomposing carbon - kg carbon/m2 uSlowC - Unprotected slow decomposing carbon - kg carbon/m2 uNecroC - Unprotected necromass carbon - kg carbon/m2 pFastC - Protected fast decomposing carbon - kg carbon/m2 pSlowC - Protected slow decomposing carbon - kg carbon/m2 pNecroC - Protected necromass carbon - kg carbon/m2 livingMicrobeC - Carbon in living microbial biomass - kg carbon/m2 uFastN - Unprotected fast decomposing nitrogen - kg nitrogen/m2 uSlowN - Unprotected slow decomposing nitrogen - kg nitrogen/m2 uNecroN - Unprotected necromass nitrogen - kg nitrogen/m2 pFastN - Protected fast decomposing nitrogen - kg nitrogen/m2 pSlowN - Protected slow decomposing nitrogen - kg nitrogen/m2 pNecroN - Protected necromass nitrogen - kg nitrogen/m2 inorganicN - Inorganic nitrogen - kg nitrogen/m2 CO2 - Carbon in carbon dioxide - kg carbon/m2 livingMicrobeN - Nitrogen in living microbial biomass - kg nitrogen/m2 Model Input Data: FluxTower_AvgSoilT.csv: Average daily soil temperature (oC) at 10 cm depth at University of Illinois Urbana-Champaign (UIUC) Energy Farm flux tower from 7/2008-3/2016. (One year of averaged data) Model Input Data: FluxTower_AvgSoilVWC.csv: Average daily soil volumetric water content (VWC) at 10 cm depth at UIUC Energy Farm flux tower from 7/2008-3/2016. (One year of averaged data) Model Input Data: input_CCS_LIDET Study.csv: This file has daily data to run FUN-BioCROP (Column - Description - Units): yr - calendar year - year doy - day of year (1 to 365) (no leap year) - day anpp - aboveground NPP (DayCent) - kg C/m2/day bnpp - belowground NPP (DayCent) - kg C/m2/day aglivc - live aboveground biomass carbon (DayCent) - kg C/m2 bglivcj - live juvenile fine root biomass carbon (DayCent) - kg C/m2 bglivcm - live mature fine root biomass carbon (DayCent) - kg C/m2 aglivn - live aboveground biomass nitrogen (DayCent) - kg N/m2 bglivnj - live juvenile fine root biomass nitrogen (DayCent) - kg N/m2 bglivnm - live mature fine root biomass nitrogen (DayCent) - kg N/m2 nyr - simulation year - year cult - indicates a cultivation event (0 or 1) crop - indicates a new crop (0 or 1) fert - indicates a fertilizer event (0 or 1) frst - indicates the first day of the growing season (0 or 1) harv - indicates a harvest event (0 or 1) last - indicates the end of the growing season (0 or 1) croptype - crop type (0=none; 1=alfalfa; 2=corn; 3=grass clover pasture; 4=soybean; 5=wheat) cropsrl - crop specific root length - mm/g root cultrhizmix - fraction of rhizosphere mixed with bulk soil during cultivation (0.0-1.0) - fraction cultlitmix - fraction of litter mixed with bulk soil during cultivation (0.0-1.0) - fraction harvremov - fraction of above ground biomass removed during harvest (0.0-1.0) - fraction fertamt - fertilization amount - g N/m2 lifehist - plant life history (0 = annual, 1 = perennial) froot_turnover_c - amount of C in fine root turnover - kg C/m2 froot_turnover_n - amount of N in fine root turnover - kg N/m2 agrd_turnover_c - amount of C in aboveground biomass turnover - kg C/m2 agrd_turnover_n - amount of N in aboveground biomass turnover - kg N/m2 leaf_litter_fastfrac - Fast decomposing fraction of leaf litter (0.0-1.0) - fraction root_litter_fastfrac - Fast decomposing fraction of root litter (0.0-1.0) - fraction root_diameter - root diameter - mm root_length - root length - mm root/m2 rhizo_frac - fraction of total soil volume that is rhizosphere (0.0 - 1.0) - fraction date - date in format YYYY-MM-DD Instructions: Save the model code ("FUN-BioCROP_LIDET Study.Rmd") and accompanything files (data streams and CORPSE function code) in the same folder. In model code "Chunk 3: Load CORPSE Data Streams" set the working directory (setwd) to the folder with the files saved in step #1. In "Chunk 5: Define LIDET parameter sets" select the litter decomposition parameter set to be used in the run, and comment out all other sets. If changing any parameter values, edit them in "Chunk 6: Load parameters." Run all chunks up to and including "Chunk 10: Prepare Data for Export." In "Chunk 11: Export Output Data" edit data frames for export and filenames, as necessary. "Chunk 12: Graph Total Soil C" makes a figure of C remaining over the model run period. Description of each model chunk (in file FUN-BioCROP_LIDET Study.Rmd): Chunk 1: Remove all functions, clear memory. Removes all functions from R environment, clears the memory. Chunk 2: Load Packages. Loads packages necessary to run the code. Chunk 3: Load CORPSE Data Streams. Sets the working directory and loads the data files necessary to run CORPSE. Chunk 4: Load CORPSE Functions. Loads the R script with CORPSE functions from the working directory, "CORPSE Functions_Bioenergy_V2.R". Chunk 5: Define LIDET parameter sets. Has ten different parameter sets for litter decomposition tested in this study: Baseline parameters, LIDET parameters, and the other 8 best performing parameter sets identified in the modified Monte Carlo. To run the model, all but one parameter set must be commented out. Chunk 6: Load Parameters. Loads all fixed parameters to run the model. Data frame with definitions of parameters is in the CORPSE function script "CORPSE Functions_Bioenergy_V2.R" Chunk 7: Prepare Data Streams. Takes data streams loaded in Chunk 3 and puts them in the format necessary to run the model. The model is coded to run at least two sites at a time, so if only one site is being run it must be run in duplicate. Individual data tables of daily values are created in this chunk from the input data file. Chunk 8: Set Initial Conditions. Creates data tables of soil C and N pools for each soil compartment (rhizo_till, rhizo, bulk_till, bulk, litter) and loads initial values into the data tables. Creates lists for each soil compartment to hold model output. Chunk 9: Load FUN Data and Set Up Matrices. Uses DayCent data to calculate FUN input data: root and leaf N demand, total N demand, plant CN, leaf N available for retranslocation, and litter production. Creates matrices for FUN model outputs. Chunk 10: Run Model. Runs the model. Chunk 11: Prepare Data for Export. Combines data from each day saved as lists into data frames for each soil compartment. Adds values from all soil compartments together to calculate total soil values, creates separate data frames for each soil C and N pool (e.g., protected slow C) for the total soil value. Adds different C and N pools together to calculate total soil C and N for all layers. Creates data frame of ratio of protected to unprotected SOC. Organizes FUN data for export. Chunk 12: Export Results. Exports CSV files of model results to the working directory. Chunk 13: Graph Total Soil C. Makes figure of C remaining over time. Related Links: Original FUN-BioCROP model: https://github.com/BrzostekEcologyLab/FUN-BioCROP LIDET dataset: https://andlter.forestry.oregonstate.edu/data/abstract.aspx?dbcode=TD023

Juice, Stephanie↗
DOE OSTI2020

CO2-SCREEN

CO2 Storage prospeCtive Resource Estimation Excel aNalysis (CO2-SCREEN) is a tool which was developed by the Department of Energy’s National Energy Technology Laboratory (DOE-NETL) to screen saline formations for prospective CO2 storage resources. CO2-SCREEN applies U.S. DOE methods and equations for estimating prospective CO2 storage resources for saline formations. This provides a dependable method for calculating prospective CO2 storage resources which allows for consistent comparison of results between different research efforts. CO2-SCREEN latest version (v5.0) is a python application that utilizes a Java front end user interface. The 3.0 version consists of an Excel spreadsheet containing geologic inputs and outputs, linked to a GoldSim Player model that calculates prospective CO2 storage resources via Monte Carlo simulation. https://www.youtube.com/watch?v=lhakk-HYfOI

CO2 Storage Resource,Prospective Storage,Screening↗
DOE OSTI2022

FECM/NETL Unconventional Shale Well Economic Model (UShWEM)

FECM/NETL Unconventional Shale Well Economic Model (UShWEM) is an Excel-based model that evaluates the economics of an unconventional shale well on a per-well and per-pad basis. The model calculates the net cash flow, internal rate of return (IRR), net present value (NPV), earnings before interest, taxes, depreciation, and amortization (EBITDA), payout month and year, and breakeven price (for either oil- or gas-wells). The model can be used to estimate the economics of a well or pad over its lifetime (development through site reclamation) based on (1) the capital and operating costs associated with well/pad development and operations, (2) the revenue associated with oil, gas, and condensate production streams, and (3) accounting for relevant tax policies and asset depreciation applicable for oil and gas operations. The main input for the model is the completion design and production data. Key financial considerations in the model include oil, gas, and condensate market prices, tax-related settings, royalty rates, the discount rate, minimum economic hurdle (IRR) [if performing break-even analysis], and project contingency. The financial consideration can be adjusted to reflect the level of granularity the user requires as input when calculating the economics for a well or pad development. In addition, the model affords users the option to provide their user inputs for all cost categories considered. As a result, the model can be used to generate a multitude of scenario cases for sensitivity analysis of the various financial considerations, as well as production and cost profiles. To make this seamless, the model has the capability for key economic outputs to be exported in large batches through macros-enabled functions on its “Model Output Summary” and “Multi-Well Cost Analysis. The spreadsheet model includes macros and user-defined functions, so the user must enable Excel’s macro capability for the model to function correctly.

Sheriff, Alana↗
DOE OSTI2021

Stochastic Approaches for Calculating and Aggregating Detection Probabilities for Nuclear Material Diversion

The authors built and tested a stochastic simulation to estimate achieved detection probabilities (DPs) on a stratum basis, over a tailorable range of diverted amounts from 0 to 2 significant quantities (SQ), using typical International Atomic Energy Agency (IAEA) inspection data: i.e., SQ in stratum, number of items, number of gross/partial/bias defect measurements conducted, and realistic relative standard deviation (RSD) values for typical IAEA verification measurements. For bulk strata, the model calculates achieved DP at 0.01 SQ diversion increments; for item strata, the model calculates DP using the smallest realistic diversion increment (e.g., a plate, pin, or coupon). After successfully benchmarking against IAEA deterministic models, the simulation was used to test the sensitivity of DP to certain standard assumptions and selected input parameters. First, the equal defect assumption was tested; the results suggest significant complexity in the effectiveness of partial defect measurements. Next, the authors explored the sensitivity of DP to the assumed RSD of attribute tests. Then, the authors compared non-normal models for instrument performance (e.g., logistic, step, or arbitrary functions) to the typical results from a normal distribution (characterized by RSD). This last comparison was supplemented with experimentally derived performance data for an HM-5 gamma spectrometer. The HM-5 was used to make enrichment measurements on both LEU and HEU MTR fuel elements as plates were removed, and the results fit with logistic and step curves and applied in the simulation. These stochastic DP results were compared to DP estimates from a deterministic model assuming a normal curve and typical RSD, yielding insights that could improve effectiveness in the field. These early results illustrate the potential of stochastic models to better understand achieved DP and to improve safeguards effectiveness.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2023

Guanajuato Policy Options for Land Transportation Greenhouse Gas Reduction [Slides]

NREL consulted the Mexican state of Guanajuato to help them identify and prioritize policies that are specifically applicable to their land transportation system and help them meet their greenhouse gas (GHG) reduction goals. Three focus groups were held across Guanajuato to get the input from a wide variety of users of the transportation system. These focus groups performed a SWOT (strengths, weaknesses, opportunities and threats) analysis of Guanajuato's transportation system and logged the policy goals of participants. NREL then developed a menu of policy options that have been used successfully in relevant countries and prioritized these policies based on the weighted input from stakeholder groups. The most applicable policies were a paid parking strategy, regional transit master plan, and expanded bike and pedestrian infrastructure. Case studies of these three policies, plus a few more, were then presented to inform Guanajuato of how these policies could successfully be implemented. Finally, the GHG reductions for five of the most applicable policies were estimated to reduce emissions from Guanajuato's land transportation system nearly 40% below business-as-usual emissions by 2050.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Limitations of reanalysis data for wind power applications

Wind energy resource estimates commonly depend on simulated wind speed profiles generated by reanalysis or weather models due to the lack of long time series measurements with sufficient coverage at relevant heights (roughly 90 m above ground). However, modeled data, including reanalyses, can be noisy and display a wide range of biases and errors, variously attributed to terrain effects, poor coverage of assimilated inputs, and model resolution. Wind generation records, if available at high temporal and geographical resolution, can provide a proxy for wind measurements and allow for evaluation of reanalyses and weather model wind time series. We use a 7-year-long data set of hourly, plant-level generation records from over 100 wind plants across Texas to evaluate two commonly used reanalysis data sets (MERRA2 and ERA5). Additionally, we use 1-year of records (2019) to evaluate an operational, high-resolution regional weather modeling product (HRRR v3). We find that across the region, and across all modeling products, the modeled representation of wind generation (i.e., wind speeds at hub heights passed through a power curve) has relatively small mean errors when aggregated daily, but that accuracy and hourly correlation have a strong diurnal sensitivity. Accuracy and correlation systematically decline through the evening and markedly improve after sunrise. These diurnal patterns persist even in the highest resolution model tested (HRRR v3). We hypothesize the nighttime decline in accuracy is mostly due to poorly represented boundary layer conditions, perhaps related to model representation of stability, while other uncertainties (such as wake effects) play a secondary role.

17 WIND ENERGY↗
DOE OSTI2021

LCOC (Levelized Cost of Light-Duty EV Charging Calculator)

This code was developed to calculate the levelized cost of light-duty electric vehicle (EV) charging (LCOC) for the paper "Levelized Cost of Charging Electric Vehicles in the United States" by Borlaug et al.(https://doi.org/10.1016/j.joule.2020.05.013). The calculation takes inputs from a variety of publicly available data sources (e.g., utility tariffs from the Utility Rate Database; EV charging station locations from the Alternative Fuels Data Center; energy price forecasts from the Energy Information Administration) and produces the current LCOC, considering when, where, and how light-duty EVs are recharged. In addition, the lifetime fuel cost savings (LFCS) calculation estimates the discounted fuel cost savings for a new battery EV (BEV) or plug-in hybrid EV (PHEV) over a 15-year time horizon using state-level gasoline price and LCOC projections.

Borlaug, Brennan↗
DOE OSTI2025

pyTCR: A tropical cyclone rainfall model for python

pyTCR is a climatology software package developed in the Python programming language. It integrates the capabilities of several legacy physical models and increases computational efficiency to allow rapid estimation of tropical cyclone (TC) rainfall consistent with the large-scale environment. Specifically, pyTCR implements a horizontally distributed and vertically integrated model [Zhu et al., 2013] for simulating rainfall driven by TCs. Along storm tracks, rainfall is estimated by computing the cross-boundary-layer, upward water vapor transport caused by different mechanisms including frictional convergence, vortex stretching, large-scale baroclinic effect (i.e., wind shear), topographic forcing, and radiative cooling [Lu et al., 2018]. The package provides essential functionalities for modeling and interpreting spatio-temporal TC rainfall data. pyTCR requires a limited number of model input parameters, making it a convenient and useful tool for analyzing rainfall mechanisms driven by TCs. To sample rare (most intense) rainfall events that are often of great societal interest, pyTCR adapts and leverages outputs from a statistical-dynamical TC downscaling model [Lin et al., 2023] capable of rapidly generating a large number of synthetic TCs given a certain climate. As a result, pyTCR significantly reduces computational effort and improves the efficiency in capturing extreme TC rainfall events at the tail of the distributions from limited datasets. Furthermore, the TC downscaling model is forced entirely by large-scale environmental conditions from reanalysis data or coupled General Circulation Models (GCMs), simplifying the projection of TC-induced rainfall and wind speed under future climate using pyTCR. Finally, pyTCR can be coupled with hydrological and wind models to assess risks associated with independent and compound events (e.g., storm surges and freshwater flooding).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Assessment of Potential Dose and Environmental Impacts from Proposed Testing at the INL Radiological Response Training Range

This assessment uses screening level models to calculate potential environmental impacts from proposed tests at the Idaho National Laboratory (INL) Radiological Response Training Range (RRTR) site. Proposed tests could be conducted using 11 different radioactive material types that include K 2 O, LaBr 3 , KBr, Cu, Zr, F, Ga, Ga 2 O 3 , NaNO 2 , Ga-68, and Tc-99m. The tests could potentially release radioactive material to the atmosphere and radionuclides and other contaminants to the soil, which could leach into the unsaturated zone and migrate to the aquifer. Atmospheric transport of radionuclides to potential human receptors and time-integrated air concentrations were calculated with a Gaussian plume model and three years of hourly meteorological data. Potential surface-soil impacts were calculated with the computer program Mixing-Cell Model (MCM). Groundwater impacts were calculated with the computer programs MCM and GWSCREEN. Radiological doses from potential atmospheric releases were calculated for public receptors off the INL Site and for workers at nearby INL facilities. Results were compared to regulatory dose limits. Maximum potential groundwater concentrations were estimated in the aquifer below the NSTR site and compared to drinking water standards or risk-based screening levels for resident tap water. Soil concentrations were calculated and compared to risk-based screening levels for workers and potential future residents. All impacts were estimated based on the assumption that 12 tests are conducted annually using all 11 material types for a period of 15 years. This document provides the resources to enable a subject matter expert in the field of environmental assessments to replicate the modeling and calculations. The methodology and parameters are presented in the text. All electronic files, including computer code input, output, executable files, batch files, scripts, and spreadsheet files are contained in a zip file that can be accessed by selecting “Additional Information” (select Native File) in the INL Electronic Document Management System (EDMS).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Preliminary IHLW Formulation Algorithm Description

This report documents the initial algorithm that could be used by the Waste Treatment and Immobilization Plant (WTP) in batching high-level waste (HLW) and glass-forming chemicals (GFCs) in the HLW melter feed preparation vessel (MFPV) (HFP-VSL-00001 and -00005). Not all Hanford tank waste can be accommodated by the models developed for this report and significant expansion of the model boundaries could be achievable to reduce the WTP mission life and total canister production count. The immobilized HLW (IHLW) must meet a series of constraints to be acceptable for disposal in the Monitored Geologic Repository, which are contained in the Specification 1 of the Contract (DOE 2000), the Waste Acceptance Product Specifications (WAPS, DOE 1996), and the Waste Acceptance System Requirements Document (WASRD, DOE 2007). The IHLW Waste Form Compliance Plan (WCP, 24590-HLW-PL-RT-07-0001, Rev 3) specifies that the formulation algorithm will be developed and used to comply with the constraints associated with glass composition and properties. This report is not an engineering calculation, does not provide design input, and is not an engineering study. Algorithm inputs include the chemical analyses of the blended HLW in the HLW blend vessel (HBV) (HLP-VSL-00028, the volume and composition of the MFPV heel, the volume and composition of the MFPV after waste addition, the volume and composition of MFPV batch after GFC addition, the compositions of individual GFCs, and the mass of glass in each canister. In addition to these inputs, uncertainties in the HLW composition and processing parameters are included in the algorithm. Using the above inputs, the algorithm calculates the following outputs: 1) the volume of HLW to be transferred from the HBV to the MFPV, 2) the mass of each GFC for addition to the MFPV, 3) the composition of the glass that will be produced along with uncertainties, and 4) the predicted properties, with associated uncertainties, of the resulting IHLW. The algorithm uses the property-composition models to calculate properties with associated uncertainties and compares them with various constraints to ensure that a processable feed is formulated and a compliant IHLW is produced. The GFC additions are determined using an optimization approach to provide high confidence that the HLW glass will meet all product quality requirements and key processing constraints. For most HLW batches there are many possible glass compositions that meet all constraints. In these cases, the glass composition is optimized for a series of target component concentrations and target property values. The algorithm also incorporates process measurement and product quality uncertainties, based on the work of Piepel et al. (2005). Estimates of the various process and measurement uncertainties that affect glass compositions and predicted glass properties have been previously reported (Piepel et al. 2005, 2006) and the impacts of these estimated uncertainties on the IHLW composition envelope that meets product quality and processing-related properties with sufficient confidence were evaluated. The details of work performed to date to develop this initial GFC addition and batching algorithm are summarized in Sections 4 and 5. An example data set is used to illustrate the calculations of the algorithm summarized in Section 6. Finally, in Section 7, there is a statement of the required work to achieve a final operational IHLW formulation control algorithm. This report is not an engineering calculation, does not provide design input, and is not an engineering study.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

A review of water valuation metrics: Supporting sustainable water use in manufacturing

In the manufacturing sector, water has been often considered too cheap to conserve. Such thinking relies on water valuations that limit the value of water to the price paid. Using such simple methods, the share of water cost to total manufacturing cost is significantly small, <3%. As a result, conserving water and enabling technology uptake is difficult to justify economically and slow to advance, hindering progress toward sustainable water use. However, the value of water to a manufacturer is far greater than the price paid. Valuations such as the true cost of water consider the additional in-plant treatment and energy costs and have been gaining greater traction in the manufacturing sector. However, true cost alone still undervalues water by not accounting for economic and social costs related to scarcity and environmental externalities. This paper makes the case and presents a framework for valuing manufacturing water beyond the price paid and the true cost. The proposed fuller valuation of manufacturing water takes into account the internal and opportunity costs associated with the realization of water risks. The paper follows with a review of a wide range of water valuation metrics, both at the specific industry level and regional/economy-wide level. The use of various valuation metrics incorporating the relationship between the change in value with change in water use, such as marginal value of water, shadow price, and elasticity at the specific industry level, has been limited in the U.S. manufacturing sector. Further, a limited number of studies exist on data-intensive subjective evaluation techniques such as computable general equilibrium modeling and input-output modeling for regional water valuation. After reviewing water value metrics, several recent case studies from manufacturers from the literature are presented to illustrate both the promise and challenges of a fuller valuation of water as proposed here. Some large multinational corporations have moved toward assessing the value of water via supply chain sustainability initiatives, environmental profit and loss accounting, estimating risk-adjusted values of water, hydro-economic modeling, natural capital asset valuation, and developing value chain indices. This paper provides policymakers and technology developers a framework for monetizing water value beyond its true cost and current metrics. If adopted, such fuller water valuations can help make the business case for the development and deployment of cost-effective water-conserving technologies, thereby improving the sustainability of the manufacturing sector with respect to water.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Templates of expected measurement uncertainties for (n, xn) cross sections

A template is provided for evaluating experimental uncertainties for neutron elastic and inelastic scattering cross sections and γ -ray production cross sections from (n, xn) measurements at laboratories with monoenergetic or white neutron sources. A typical range of uncertainties is presented for experiments detecting the scattered neutrons or the resulting de-excitation γ rays based on a survey of available data and input from many experimentalists and theorists with extensive knowledge in the field. Models commonly used to evaluate the resulting cross-sections are also discussed. Suggestions are made regarding what experimental and uncertainty information is needed for data evaluations and should be included when reporting experimental (n, xn) cross sections. Uncertainty values and correlations are recommended if these values cannot be estimated for past data from the literature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Pedestal particle balance studies in JET-ILW H-mode plasmas

JET-ILW type I ELMy H-modes at 2.5 MA/2.8 T with constant NBI heating (23 MW) and gas fuelling rate were performed, utilising edge localised mode (ELM) pacing by vertical kicks and plasma shaping (triangularity, δ) as tools to disentangle the effects of ELMs, inter-ELM transport and edge stability on the pedestal particle balance. In agreement with previous studies, the pedestal confinement improves with increasing δ, mostly due to a significant increase in pedestal density while the ELM frequency ($f_{\mathrm{ELM}}$) is decreased. Improved pedestal confinement with increasing δ was observed even when the pedestal MHD stability was degraded artificially by vertical kicks, implying that increased triangularity may favourably affect the inter-ELM pedestal recovery. The workflow developed to quantify the pedestal particle balance uses high time-resolution profile reflectometry to characterise the inter-ELM evolution of the plasma particle content ($\mathrm{d} N/\mathrm{d}t$), the NEO drift-kinetic solver to evaluate the neoclassical fluxes and interpretative EDGE2D-EIRENE simulations to estimate the edge particle source. The edge particle source is then constrained by deuterium Balmer-α line intensity measurements in the main chamber, which are, however, strongly affected by reflections from the metal walls. The reflections are accounted for by the CHERAB code taking the divertor emission (the brightest light source in the torus) distribution from imaging spectroscopy measurements as input. Our analysis shows that in the second half of the ELM cycle, the volume-integrated particle source is larger than $\mathrm{d} N/\mathrm{d}t$, indicating that transport plays a key role in the inter-ELM pedestal recovery.

fuelling↗