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DOE OSTI2025

Development of the Table of Initial Isolation and Protective Action Distances for the 2024 Emergency Response Guidebook

The transportation of hazardous materials creates numerous opportunities for the release of toxic substances into the environment, whether caused by traffic accidents, train derailments, equipment failures, or human error. Such releases can pose acute hazards to the general public and to emergency response personnel who are the first to arrive at the scene. To help first responders determine whether a shipment is potentially hazardous and decide what actions should be taken if a toxic spill does occur, the Emergency Response Guidebook (ERG) is published by the U.S. Department of Transportation (DOT), Transport Canada, and the Secretariat of Transport and Communications of Mexico; with contributions from Centro de Informaciòn Quìmica para Emergencias of Argentina. The most recent version is the 2024 edition of the ERG (ERG 2024), titled 2024 Emergency Response Guidebook (ERG2024). The ERG provides essential information about firefighting, spill response, and potential public health effects. For chemicals that are toxic by inhalation (TIH) and chemicals that produce TIH gases upon reaction with water (TIH by water reactivity or TIHWR), the ERG provides initial isolation distances (IIDs) and protective action distances (PADs). The IID defines the radius of the zone around the spill that should be accessed solely by people who are directly involved in emergency response. The PAD is the distance downwind of the source of the release within which persons should be either evacuated or sheltered in place, depending on the severity of the incident and the nature of the population (e.g., density, age, health).

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

DOE OSTI2021

Safety Analysis Report For Packaging, Y-12 National Security Complex, Model ES-3100 Package with Bulk HEU Contents

This safety analysis report for packaging (SARP) presents the results of the safety analysis prepared in support of the Consolidated Nuclear Security, LLC (CNS) request for licensing of the Model ES-3100 package with bulk highly enriched uranium (HEU) contents and issuance of a Type B(U) Fissile Material Certificate of Compliance. This SARP, published in the format specified in the U.S. Nuclear Regulatory Commission (NRC) Regulatory Guide 7.9 and using information provided in UCID-21218 and NRC Regulatory Guide 7.10, demonstrates that the Y-12 National Security Complex (Y-12) ES-3100 package with bulk HEU contents meets the established NRC regulations for packaging, preparation for shipment, and transportation of radioactive materials given in Title 10, Part 71, of the Code of Federal Regulations (CFR) [10 CFR 71] as well as U.S. Department of Transportation (DOT) regulations for packaging and shipment of hazardous materials given in Title 49 CFR.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

High Fluence 14 MeV Neutron Exposure Capability at the National Ignition Facility

Neutron experiments conducted at the National Ignition Facility can utilize high neutron fluences delivered in very short pulses. By adapting inertial confinement fusion laser pulses and targets, fluences above 10 15 n/cm 2 can be achieved on small experimental volumes, and prospectively up to 10 16 n/cm 2 onto capsule materials under development. Neutron pulse lengths are less than 1 ns. Large experimental volumes from 150 cm 3 to 20 L can access fluences of 10 8 -10 13 n/cm 2 . Experimental platforms may contain encapsulated hazardous materials, active electronics connected to sophisticated prompt read-out equipment, and large assemblies up to 200 kg. Furthermore, sources are designed to maximize total yield, total experimental fluence, or maximum fluenceper user-day allocated as required.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Advancing radioactive material research method: the development of a novel in situ particle-attached microfluidic electrochemical cell

This study aims to develop a microgram-scale microfluidic electrochemical cell (E-cell) for investigating the redox behavior of uranium oxide (UO 2 ). The traditional bulk electrochemical methods may require shielded facilities to investigate the hazardous materials, e.g., spent nuclear fuel, due to high radiation levels. Microfluidic E-cells offer advantages such as reduced radiation exposure, control over fluid flow rates, and high-throughput capabilities. Methods: The design of the E-cell considers electrode morphology, adhesion to a thin membrane, electrode configuration, and vacuum compatibility. Three techniques, including FIB-SEM lift-out, Au coating, and polyvinylidene fluoride (PVDF) binder, are explored for fabricating and attaching microgram quantities of UO 2 as working electrodes. The PVDF binder method proves to be the most effective, enabling the creation of a vacuum-compatible microfluidic E-cell. Results and discussion: The PVDF binder method demonstrates successful electrochemical responses and allows for real-time monitoring of UO 2 electrode behavior at the microscale. It offers chemical imaging capabilities using in situ SEM/EDS analysis. The technique provides consistent redox outcomes similar to bulk electrochemical analysis. Conclusion: The development of a microgram-scale microfluidic electrochemical cell using the PVDF binder technique enables the investigation of UO 2 redox behavior. It offers a low-risk approach with reduced radiation exposure and high-throughput capabilities. The technique provides real-time monitoring and chemical imaging capabilities, making it valuable for studying spent nuclear fuel systems and material characterization.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Evaluating and Countering the Insider Threat to the Radioactive Source Supply Chain

The modern supply chain is a global enterprise and little drove this home more than the global COVID-19 pandemic which sent economic shockwaves throughout the world. Many goods became scarce, as products were delayed, in limited supply, or simply not available. The suddenly diminished supply collided with still high demand and led to greatly increased costs. This was particularly true for the radioactive source supply chain. The pandemic introduced extensive delays for construction projects, slowed the transport of radiological materials to facilities, interrupted treatment deliveries, and impaired the mobility of contractors across the industry. All of these concerns not only adversely affected the economy, but also impacted the safety and security of radiological material, potentially raising national security concerns. The vulnerability of the supply chain, a critical element in an increasingly interconnected world, was exposed. One example that challenged the adaptive capacity of the overall supply chain is the Ever Given container ship, which became stuck in the Suez Canal in 2020. This accident immediately shut down shipments that accounted for 12% of global trade, with long-term impacts estimated to be much larger. Developing the ability to anticipate and react in real-time to sudden changes has quickly become a necessity, particularly in industries that deal with the transport of hazardous material. The reaction to these dramatic incidents was to largely focus attention and resources on protecting the supply chain from external threats. However, the threat to the radioactive material supply chain from insiders intimately involved in the process may be even greater and remains a blind spot that requires increased attention. Recent events revealed the blueprint for targeting and disrupting that supply chain, so the potential for a malicious insider—or a manipulated, unwitting insider—to take advantage of this vulnerability is elevated, creating security concerns for radiological industries. This paper examines and analyzes the potential insider threat to the radioactive source supply chain and recommends steps to take to counter this possibility.

Kinney, Justin↗

DOE OSTI2022

Sustainable bioleaching of lithium-ion batteries for critical materials recovery

The demand for lithium-ion batteries (LIBs) has increased substantially over the last few decades due to their longer lifetime, greater resistance to self-discharge, and higher output voltage compared to other battery types. With the global trend of electrifying vehicle fleets, the number of LIBs reaching their end-of-life (EOL) is expected to grow substantially in the next decade. These EOL LIBs represent a significant secondary source of materials (e.g., Li, Co, Ni, Mn) that can be recovered and reused in LIBs or other products. In this study, we developed a bioleaching process that could recover critical materials from EOL LIBs in an economical and environmentally sustainable manner under industrially relevant conditions. Black mass, i.e., cathode-containing powder, prepared from EOL LIBs was leached using a biolixiviant produced from corn stover by Gluconobacter oxydans bacteria. Iron(II) was used as a reducing agent to promote metal dissolution. Techno-economic analysis (TEA) estimated a potential average profit margin of 21% for processing 10,000 t of black mass per year, which represents approximately 30% of the available black mass in the US in 2020. Life cycle assessment (LCA) demonstrated that bioleaching of spent LIBs could be more environmentally sustainable than alternative hydrometallurgical recovery methods such as hydrochloric acid leaching (16-19 kg vs. 43-91 kg CO 2 equivalent global warming potential per kg of recovered cobalt). The TEA results are highly dependent on the cost of black mass production, which varies by EOL LIB collection and transportation costs. Finally, emerging technologies for deactivating used LIBs for fire safety at collection centers will allow the transport of EOL LIBs as non-hazardous materials, lower the cost of preparing black mass and thereby increase economic prospects for EOL LIBs recycling using this approach.

25 ENERGY STORAGE↗

DOE OSTI2022

Integration of Large-Scale Electrical Imaging into Geological Framework Development and Refinement

Geologic framework models (GFMs) are critical to the construction of reliable simulation models of groundwater flow and contaminant transport. To support GFM development, direct information (e.g., core samples, fluid samples, hydraulic testing) tends to be sparse and separated by large distances relative to the spatial scales of aquifer heterogeneity. There are additional challenges associated with highly contaminated legacy waste sites, where drilling is particularly costly, and invasive sampling requires specialized handling and disposal of hazardous materials. At these sites in particular, non-invasive geophysical imaging can play an important role in filling spatial gaps between boreholes and reducing characterization costs by optimizing and minimizing the number of necessary boreholes. Here this paper presents a case study demonstrating the use of large-scale (> 30 km 2 ) electrical mapping to identify hydrostratigraphy and potential paleochannels at the Hanford Site, located in Washington State, USA. In two field campaigns, over 36 line-kilometers of electrical resistivity tomography (ERT) data were collected along 14 transects. ERT surveys were sited and performed to image critical aspects (e.g., paleochannels, stratigraphic contacts) of the subsurface, demonstrating a general workflow for integrating ERT with GFM development. Inconsistencies between the GFM and ERT were catalogued to provide a basis for future site characterization using complementary geophysical methods and (or) direct sampling.

58 GEOSCIENCES↗

DOE OSTI2025

PowderJet: Spherical metal powder production via multi-orifice droplet-on-demand metal jetting

Leading metal additive manufacturing techniques, such as laser powder bed fusion and directed energy deposition, rely on high-quality spherical metal powders. However, traditional powder production methods like gas atomization face limitations, including low in-spec yield, asphericity, and internal porosity. We introduce PowderJet, a powder production platform that uses electromagnetic pulses to eject liquid metal droplets from a multi-orifice nozzle. Unlike stochastic methods, PowderJet tightly controls powder size, distribution, and purity through a droplet-on-demand approach. We detail the system’s design, operation, and performance using a combined experimental and computational fluid dynamics (CFD) framework. Initial results with Al4008 and Cu110 alloys demonstrate successful production, yielding unsieved aluminum powder batches with a mean diameter of 200 µm and a narrow size distribution (15 µm standard deviation). The produced powders are highly spherical, achieving a roundness > 0.95. PowderJet operates with a small melt volume (3 mL) and supports continuous refilling, enabling production rates between 30 and 140 cm³/hr depending on jetting frequency, number of orifices and particle size. CFD simulations show that future systems could achieve rates exceeding 1000 cm³/hr for particle sizes as small as 40 µm. PowderJet’s high yield of in-spec powder makes it ideal for producing precious or hazardous materials that are inefficient to manufacture using conventional methods. This platform offers a scalable, precise, and efficient solution for producing high-quality powders tailored for advanced manufacturing applications.

Atomization↗

DOE OSTI2023

Effects of cryogenic freezing upon lithium-ion battery safety and component integrity

Not Available

Sunderlin, Nathaniel↗

DOE OSTI2023

MELCOR-TMAP: The integration of MELCOR for fusion and TMAP4 for fusion reactor systems safety analysis and tritium inventory tracking

The design of fusion reactors requires the prediction of radioactive tritium migration during normal operating conditions and accident scenarios. Safety standards such as those from the U.S. Department of Energy (DOE) require that fusion reactor designs limit the release of hazardous material to the environment. In addition to safety requirements, the rarity of tritium supplies for burning D-T fusion plasma requires tritium breeding blankets. Computational modeling of migration of tritium and various reaction products throughout the fusion reactor serves to create designs that fulfill these requirements. MELCOR-TMAP, owned and developed at Idaho National Laboratory (INL), is an integrated system-level engineering code adapted for the analysis of fusion reactor systems. The history of the conception and evolution of the MELCOR-TMAP code, as well as its current capabilities, recent updates including a corrected composite material wall nodalization scheme, and plans for future development, are discussed here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

A Perspective on Biomass-Derived Biofuels: From Catalyst Design Principles to Fuel Properties

The hazards to health and the environment associated with the transportation sector include smog, particulate matter, and greenhouse gas emissions. Conversion of lignocellulosic biomass into biofuels has the potential to provide significant amounts of infrastructure-compatible liquid transportation fuels that reduce those hazardous materials. However, the development of these technologies is inefficient, due to: (i) the lack of a priori fuel property consideration, (ii) poor shared vocabulary between process chemists and fuel engineers, and (iii) modern and future engines operating outside the range of traditional autoignition metrics such as octane or cetane numbers. In this perspective, we describe an approach where we follow a “fuel-property first” design methodology with a sequence of (i) identifying the desirable fuel properties for modern engines, (ii) defining molecules capable of delivering those properties, and (iii) designing catalysts and processes that can produce those molecules from a candidate feedstock in a specific conversion process. Computational techniques need to be leveraged to minimize expenses and experimental efforts on low-promise options. This concept is illustrated with current research information available for biomass conversion to fuels via catalytic fast pyrolysis and hydrotreating; outstanding challenges and research tools necessary for a successful outcome are presented.

BIOMASS FUELS↗

DOE OSTI2024

Leveraging Calibration Transfer Techniques for Remote Monitoring of Samarium and Europium in LiCl Using Laser-Induced Florescence Spectroscopy for Radioisotope Production Applications

Radioisotope production relies on complex chemical processes that must be performed in radiological hot cells or glove boxes because of the radioactive and otherwise hazardous materials being used. In these situations, optical sensors can provide real-time monitoring to users, which is unobtainable by more traditional methods. This study explores the use of calibration transfer methods to train a model on one instrument and date and then transfer it to another instrument of the same or different configuration on a different date. By performing laser-induced fluorescence measurements of Eu(III) and Sm(III) in 10 M LiCl over the course of 6 months using two disparate spectrometers and two different training sets, a strategy for calibrating and deploying models for online monitoring was established. Three transfer techniques were compared: direct standardization (DS), piecewise direct standardization (PDS), and external parameter orthogonalization (EPO). DS and PDS outperformed EPO for day-to-day transfers, and EPO was not effective for instrument-to-instrument transfers. Transferring the initial date’s full factorial model provided better prediction performance compared with retraining models the day of measurements using a D-optimal designed calibration set. For both day-to-day and instrument-to-instrument transfers, five Kennard–Stone selected samples were sufficient. Based on this choice, the initial-date, high-resolution spectrometer model was transferred to a lower-resolution, compact spectrometer 6 months later to monitor a simulated, real-time demonstration. Here, the combined predictions of the DS and PDS transferred models were able to accurately track the anticipated concentration profiles, maintaining root-mean-square error of prediction values below 10 ppm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

A microfluidic electrochemical cell for studying the corrosion of uranium dioxide (UO 2 )

We have developed a specialized microfluidic electrochemical cell that enables in situ investigation of the electrochemical corrosion of microgram quantities of redox active solids. The advantage of downscaling is the reduction of hazards, waste, expense, and greatly expanding data collection for hazardous materials, including radioactive samples. Cyclic voltammetry was used to monitor the oxidation–reduction cycle of minute quantities of micron-size uraninite (UO 2 ) particles, from the formation of hexavalent uranium (U(VI)), U 3 O 7 and reduction to UO 2+x . Reaction progress was also studied in situ with scanning electron microscopy. The electrochemical measurements matched those obtained at the bulk-scale and were consistent with ex situ characterization of the run products by X-ray photoelectron spectroscopy, scanning transmission electron microscopy, and atomic force microscopy; thus, demonstrating the utility of the microfluidic approach for studying radioactive materials.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2020

Structural Analysis Approach for the Defense Programs Package 3 (DPP-3)

The Pacific Northwest National Laboratory (PNNL) is the design authority for a new Type B hazardous materials transportation package designated as the Defense Programs Package 3 (DPP-3) for the U.S. Department of Energy (DOE) National Nuclear Security Administration (NNSA). The DPP-3 has been developed using similar materials and fabrication methods employed in previous U.S. Nuclear Regulatory Commission (NRC), DOE, and NNSA certified packages. The DPP-3 design criteria are derived from the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), NNSA guidance and NRC regulatory guides in order to safely and securely transport a variety of payloads. Final regulatory approval by the NNSA will require physical testing to demonstrate that the containment vessel (CV) remains leaktight after enduring the entire regulatory testing sequence prescribed in Title 10 of the Code of Federal Regulations Part 71 (10 CFR 71). In order to gain confidence that the DPP-3 will remain leaktight after testing, the DPP-3 has been structurally analyzed using the Finite Element Analysis (FEA) software LS-DYNA. The FEA analyses serve two general purposes: first, they aid in design and development of the package, and second, they advise as to which drop orientations are expected to cause the most damage during regulatory testing. This paper will discuss how the design criteria are incorporated into analytical techniques needed to evaluate the FEA structural simulation results for 10 CFR 71 conditions to give confidence the DPP-3 testing campaign will be successful.

Sakalaukus Jr., Peter J.↗

DOE OSTI2021

HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) v.4.0

HyRAM+ is a software toolkit for conducting quantitative risk assessment (QRA) and consequence modeling for hydrogen and other alternative fuels infrastructure and transportation systems. HyRAM+ contains validated, simplified release behavior models, a standardized QRA approach, and engineering models and generic data relevant to hydrogen installations. HyRAM (hydrogen-only) versions 1.0 to 3.1 were developed by Sandia for the U.S. Department of Energy (DOE) Hydrogen and Fuel Cell Technologies Office (HFTO). The U.S. DOE Vehicle Technologies Office (VTO) and U.S. Department of Transportation (DOT) Pipeline and Hazardous Material Safety Administration (PHMSA) contributed to the development of HyRAM+ version 4.0 regarding the addition of methane (natural gas) and propane models. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-10862 O

Groth, Katrina↗

DOE OSTI2022

HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) v.4.1.1

Groth, Katrina↗

DOE OSTI2024

HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) v.5.1.1

Groth, Katrina↗

DOE OSTI2025

HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) v.6.1

SAND2025-11565O HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) is a tool for conducting quantitative risk assessment (QRA) in transportation systems. HyRAM+ contains validated, simplified release behavior models, engineering models, and generic data relevant to hydrogen installations. HyRAM+’s platform integrates models and data to conduct QRA on user-defined hydrogen or other alternative fuel systems. The software will enable the international safety research community to add validated models to the HyRAM+ platform for use in QRAs. HyRAM (hydrogen-only) versions 1.0 to 3.1 were developed by Sandia for the Department of Energy (DOE) Hydrogen and Fuel Cell Technologies Office. The following agencies contributed to the development of HyRAM+ version 4.0 regarding the addition of methane (natural gas) and propane models: the DOE Vehicle Technologies Office and the Department of Transportation Pipeline and Hazardous Material Safety Administration. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Groth, Katrina [Sandia National Lab. (SNL-NM), Alb↗