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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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At least 91 records · Page 5

Modeling Large Dust Aerosols in the Community Earth System Model Version 2 (CESM2)

Dust aerosols have a wide size distribution from less than 0.1 to over 100 μm and dominate Earth's atmospheric aerosol mass. However, most Earth system models (ESMs) inadequately represent dust aerosols larger than 10 μm in diameter, limiting the accuracy of the simulated dust cycle and climate impacts. Here, we introduce a new modeling framework that captures the full observed size distribution of dust aerosols, incorporating recent advances into a mineral-resolved version of the Community ESM, while addressing known issues in previous versions. Comprehensive evaluation against diverse observations of bulk dust and component minerals demonstrates that the model reproduces the observed dust cycle across particle sizes. Incorporating the previously unrepresented large-dust fractions substantially alters dust budget estimates, highlighting potential changes in simulated climate impacts and underscoring the importance of comprehensive size-resolved dust modeling. Despite these advancements, uncertainties persist. Our results indicate that a size-dependent reduction in settling velocity is required to reproduce the observed dust size distribution downwind of source regions. Specifically, in the new model, the gravitational settling velocity of dust particles larger than 10 μm in diameter must be reduced by as much as 85% to achieve agreement with observations. This empirical reduction serves as a constraint on physics-based models of dust settling. Future developments should address misrepresented physical processes that hinder accurate modeling of the large dust aerosol transport. Expanding observational data sets covering the full-size distribution is also essential to better constrain the dust cycle and improve the representation of dust optical properties and climate effects.

Li, Longlei [Cornell Univ., Ithaca, NY (United Sta↗

Validation of Physics Models of Geant4 Versions 10.4.p03, 10.6.p02 and 10.7.p01 using Data from the CMS Experiment

CMS tuned its simulation program and chose a specific physics model of Geant4 by comparing the simulation results with dedicated test beam experiments. Test beam data provide measurements of energy response of the calorimeter as well as resolution for well identified charged hadrons over a large energy region. CMS continues to validate the physics models using the test beam data as well as collision data from the Large Hadron Collider. Isolated charged particles are measured simultaneously in the tracker as well as in the calorimeters. These events are selected using dedicated triggers and are used to measure the response in the calorimeter. Different versions of Geant4 (10.2.p02, 10.4.p03, 10.6.p02) have been used by CMS for its Monte Carlo production and a new version (10.7.p01) is now chosen for future productions. A suitable physics list (collection of physics models) is chosen by optimizing performance against accuracy. A detailed comparison between data and Geant4 predictions is presented in this paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

SuperNu Version 4.x

We seek to release SuperNu, Version 4.x, as a continuation of development for the open source SuperNu software. The SuperNu, Version 3.x Monte Carlo radiative transfer code for astrophysical transients was released with GPLv3 copyright, asserted by LANL in 2015. For the next release we have features planned for development , including: opacity implementation (including non-local thermodynamic equilibrium effects), generalized source implementation (e.g. for emulating shock heating in Type II supernovae), 3T (electron, ion, radiation) internal energy update, special relativity corrections through O(v^2/c^2), light polarization (e.g. for comparison to spectroplarimetry observations of supernovae and kilonovae), and infrastructure features (checkpoint and restart of simulations, and tools including setup and Slurm batch scripts and simulation post-processing/analysis scripts). These features are intended to improve the fidelity and/or better understand uncertainty in supernova and kilonova light curve calculations.

Wollaeger, Ryan↗

Hestia-SWIFL: hourly anthropogenic fossil fuel CO2 and heat on the 2km WRF grid, version 1.1

The Hestia-SWIFL version 1.1 anthropogenic heat (AH) and fossil fuel CO2 (FFCO2) emissions data product represent emissions due to the combustion of fossil fuel and cement production within the state of Arizona from 2019 to 2022. This product was developed as part of the Southwest Urban Corridor Integrated Field Laboratory (SW-IFL) project, which aims to provide new knowledge and tools that address extreme heat, air quality, climate change and related urban environmental issues by integrating high-resolution observations, modeling, and civic engagement. The emissions are generated using a bottom-up/engineering approach and are tied to results generated by the Vulcan Project version 4, an effort to quantify space/time-resolved FFCO2 & AH emissions for the entire United States landscape. A large number of data sources are combined to best estimate the emissions at fine scales such as air quality emissions data, traffic flow data, building information, sociodemographic information, and fuel statistics. The AH product provides emissions for two emissions sources (transportation and point source emissions) in units of Watts per hour per square meter (W/m2) per year (annual files) or per hour (hourly files). The FFCO2 product provides emissions from nine individual emission sectors as well as the total, and in units of tons of carbon (tC) per grid cell per year or per hour. The output made available here places the native spatial resolution of the Hestia FFCO2 & AH emissions data product (points, lines, and polygons) into a regularized 2km x 2km grid at hourly and annual temporal resolutions, and stored in netCDF files. The exact spatial extent is defined by the ASU Weather Research Forecast (WRF) simulation grid. All data are processed using R/Python pm high-performance computing system. 2-27-2026 updates: Bugs in airport hourly profile (both AH and FFCO2) and building spatial patterns (FFCO2 only) were fixed. Hourly emissions are reprocessed for all years to reflect those changes.

54 ENVIRONMENTAL SCIENCES↗

Pennsylvania Department of Environmental Protection (PA DEP) 26r Detailed Produced Water Compositions (version 2.0)

A database of geochemical compositions of aqueous species in produced water reported to the PA Department of Environmental Protection (PA DEP). Samples were collected between late-2010 to late-2024. Data from publicly available PA DEP 26r reports were scraped from pdf files and cumulated into tabular spreadsheet format for >3,000 produced water streams from Marcellus Shale wells in Pennsylvania. In addition to providing the original values, the NETL NEWTS team has reformatted the dataset to allow sample streams to be easily copied into OLI Studio and Geochemist WorkBench (GWB) software for modeling the geochemistry and the recovery of critical minerals, such as lithium, from these produced water streams. ***This dataset is an updated version of the PA DEP 26r Detailed Produced Water Compositions (version 1.0) dataset, providing expanded spatial and temporal coverage.***

Aqueous Chemistry↗

FRAM, Version 6.1 User Manual

This manual describes the use of version 6.1 of the FRAM gamma-ray isotopic analysis software developed in the Safeguards Science and Technology Group, NEN-1, Nuclear Engineering & Nonproliferation Division, Los Alamos National Laboratory. The software analyzes the gamma ray spectrum from plutonium-bearing items and determines the isotopic distribution of the plutonium, 241Am content, and concentration of other isotopes in the item. The software can also determine the isotopic distribution of uranium isotopes in items containing only uranium. The body of this manual describes the generic version of the code.

07 ISOTOPE AND RADIATION SOURCES↗

Characterization of the Sulfur-Saturated Melt Versions of the LAW Phase 4 Glasses

In this report, results are provided from the analyses of a series of sulfur-saturated melt versions of simulated nuclear waste glasses, and chemical analysis of the wash solution resulting from the preparation of these glasses. The glasses were selected and fabricated by the Pacific Northwest National Laboratory as part of a broader study of the influence of glass composition on chemical durability, sulfur retention, and other properties. The resulting data will be used in the development of enhanced property/composition models for waste vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the sulfur-saturated versions of the quenched glasses to allow for comparisons with the targeted compositions, as well as the measured compositions of the quenched glasses. The measured concentrations of chlorine, and fluorine were below the targeted values for most of the study glasses, likely because of volatility during the multiple melting steps. The measured concentrations of B 2 O 3 , K 2 0, and Li 2 0 were generally low relative to the targeted values. As expected, the measured concentrations of SO 3 in most of the glasses were higher than targeted due to the use of the sulfur saturation method in fabricating these glasses. The wash solutions contained mainly sodium and sulfur, with moderate concentrations of potassium.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Fixed-Energy Response-Function Analysis with Multi-Efficiency (FRAM) Software, Version 6

Researchers at Los Alamos National Laboratory have developed FixedEnergy Response- Function Analysis with Multiple Efficiency (FRAM), a powerful software tool for gamma-ray spectrometry isotopic analysis. This tool leverages Los Alamos expertise in nuclear safeguards, radiation detection systems, and related analysis techniques. A household name in the non-destructive assay community for over two decades, FRAM determines a special nuclear material source's isotopic composition by analyzing gamma-ray spectra. Los Alamos researchers have released the latest version of FRAM that incorporates several updates to the 2013 major release of FRAM, Version 5.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Characterization of the Sulfur-Saturated Melt Versions of the EMHQ LAW Glasses

This report provides the results from the chemical analyses of a series of sulfur-saturated melt versions of the EMHQ Low-Activity Waste study glasses, a series of simulated nuclear waste glasses designed and fabricated at Pacific Northwest National Laboratory. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the sulfur-saturated melt versions of the glasses to allow for comparisons with targeted compositions, as well as the measured compositions of the quenched glasses. The relative differences between the targeted and measured concentrations of B 2 O 3 , Na 2 O, and SO 3 for several of the glasses and V 2 O 5 and ZrO 2 in two individual glasses were greater than ±10%. The wash solutions contained mainly sodium and sulfur.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of the Sulfur-Saturated Melt Version of the EMHQ-LBE-04-B Glass

This report provides the results from the chemical analyses of the sulfur-saturated melt version of the EMHQ-LBE-04-B glass. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of the sulfur-saturated melt version of the glass to allow for comparisons with the targeted composition as well as the measured composition of the quenched glass. The relative differences between the targeted and measured concentration of Na 2 O and SO 3 in the glass were greater than ±10%. The wash solutions contained mainly sodium and sulfate ions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of the Sulfur-Saturated Melt Versions of the LAW HPVR Glasses

This report provides the results from the chemical analyses of a sulfur-saturated melt versions of the Low-Activity Waste High PCT and VHT Response study glasses, which are a series of simulated nuclear waste glasses designed and fabricated at Pacific Northwest National Laboratory. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the sulfur-saturated melt versions of the glasses to allow for comparisons with targeted compositions, as well as the measured compositions of the quenched glasses. The relative differences between the targeted and measured concentrations of B 2 O 3 , K 2 O, Li 2 O, V 2 O 5 , and ZrO 2 for several of the glasses were greater than ±10%. The relative difference between the targeted and measured concentrations of SO 3 were greater than 10% for all study glasses. The wash solutions contained mainly sodium, sulfur, and sulfate ions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of the Sulfur-Saturated Melt Versions of the HLW HAlG Glasses

This report provides the results from the chemical analyses of a series of sulfur-saturated melt versions of the High-Level Waste High-Aluminum Glass study glasses, a series of simulated nuclear waste glasses designed and fabricated at Pacific Northwest National Laboratory. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the sulfur-saturated melt versions of the glasses to allow for comparisons with targeted compositions as well as the measured compositions of the quenched glasses. The relative differences between the targeted and measured concentrations of B 2 O 3 , Cr 2 O 3 , K 2 O, Li 2 O, Na 2 O, and P 2 O 5 for several of the glasses were greater than ±10%. The relative differences between the targeted and measured concentrations of Al 2 O 3 and ZrO 2 for one of the glasses were greater than ±10%. As expected, the measured concentrations of SO 3 in most of the glasses were higher than targeted due to the use of the sulfur saturation method in fabricating these glasses. The wash solutions contained mainly sodium, sulfur, and sulfate ions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of the Sulfur-Saturated Melt Versions of the LAW ML1 Glasses

This report provides the results from the chemical analyses of the sulfur-saturated melt versions of the Low-Activity Waste Machine Learning study glasses, a series of simulated nuclear waste glasses designed and fabricated at Pacific Northwest National Laboratory. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the sulfur-saturated melt versions of the glasses to allow for comparisons with targeted compositions as well as the measured compositions of the quenched glasses. The relative differences between the targeted and measured concentrations of F- for one glass, K 2 O for one glass, Na 2 O, for one glass, P 2 O 5 for one glass, and ZrO 2 for several of the glasses were greater than ±10%. As expected, the measured concentrations of SO 3 in most of the glasses were higher than targeted due to the use of the sulfur saturation method in fabricating these glasses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

ITS Version 6.7: The Integrated TIGER Series of Coupled Electron/Photon Monte Carlo Transport Codes User's Manual

ITS is a powerful software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the make system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 6, the latest version of ITS, contains (1) improvements to the ITS 5.0 codes, and (2) conversion to Fortran 95. The general user friendliness of the software has been enhanced through memory allocation to reduce the need for users to modify and recompile the code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

FRAM Version 7.1’s Bias

The Fixed-Energy Response-Function Analysis with Multiple Efficiency (FRAM) code was developed at Los Alamos National Laboratory to measure the gamma-ray spectrometry of the isotopic composition of plutonium, uranium, and other actinides. For FRAM versions 4 and earlier, the reported uncertainties of the results come from the propagation of the statistics in the peak areas only. No systematic error components are included in the reported uncertainties. For FRAM versions 5 and 6, we examined the FRAM analytical results of both the archival plutonium data and the data specifically acquired for the isotopic uncertainty analysis project and found the relationship between the bias and other parameters. We worked out the equations representing the biases of the measured isotopes from each measurement using internal spectral parameters, such as peak resolution and shape, region of analysis, and burnup (for plutonium) or enrichment (for uranium). The resulting biases were included in the reported uncertainties of FRAM v.5 and v.6.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Hanford Composite Analysis Special Studies FY2025 - Groundwater Flow Simulation for use in a Comparison of Simulated Concentrations in the Saturated Zone Estimated by the Plateau-to-River Model Versions 8.3 and 9.1

In order to meet the requirements of U.S. Department of Energy (DOE) in DOE O 435.1, Radioactive Waste Management, a composite analysis (CA) must be completed for the Central Plateau at the Hanford Site. The CA requires estimates of fate and transport of radionuclides in the groundwater from multiple sources within the modeling domain. This Environmental Calculation File (ECF) details the application of the Plateau-to-River (P2R) Model (CP-57037, Rev. 3, Model Package Report for the P2R Model: Version 9.1) to predict the flow of groundwater on the Central Plateau for the 10,000-year simulation to support a special analysis associated with the Hanford Site CA. The simulated flow field will support the simulation of fate and transport of contaminants for comparison to the results obtained as part of the CA to evaluate impact of the updated version of the P2R Model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

MACCS User Guide - Version 5.2

MACCS is used by the Nuclear Regulatory Commission (NRC) and various national and international organizations for probabilistic consequence analysis of nuclear power accidents. This user guide is intended to assist analysts in understanding the MACCS/MACCS-UI User Interface (UI) model and to provide information regarding the code. This user guide version describes MACCS Version 5.2, model history, explains how to set up and execute a problem, and informs the user of the definition of various input parameters and any constraints placed on those parameters. This report is part of a series of reports documenting MACCS. Other reports include the MACCS Theory Manual, MACCS Verification Report, Technical Bases for Consequence Analyses Using MACCS, as well as documentation for preprocessor codes including SecPop, MelMACCS, and COMIDA2.

54 ENVIRONMENTAL SCIENCES↗

Radiological Safety Analysis Computer (RSAC) Program Version 7.4 Users’ Manual

The Radiological Safety Analysis Computer (RSAC) Program Version 7.4 (RSAC-7) is the newest version of the RSAC legacy code. RSAC-7 calculates the consequences of a release of radionuclides to the atmosphere. Users generates a fission product inventory from either reactor operating history or a nuclear criticality event. RSAC-7 models the effects of high-efficiency particulate air filters or other cleanup systems and calculates the decay and ingrowth during transport through processes, facilities, and the environment. Doses are calculated for inhalation, air immersion, ground surface, ingestion, and cloud gamma pathways. RSAC-7 is used as a tool to evaluate accident conditions in emergency response scenarios, radiological sabotage events, and safety basis accident consequences. This users’ manual contains the mathematical models and operating instructions for RSAC-7. Instructions, screens, and examples are provided to guide the user through the functions provided by RSAC-7. This program is designed for users who are familiar with radiological dose assessment methods.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗