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DOE OSTI2025

ComPort: Rigorous Testing Methods to Safeguard Software Porting (Final Technical Report)

This is a technical report from the lead institution – University of Utah, Kahlert School of Computing – funded under the Department of Energy, Office of Science, Office of Advanced Scientific Computing Research under award number DE-SC0022252. We summarize our work done over the three years of funding received. The relevant papers and software have already been uploaded at the DOE site.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Electric Vehicle Charging Analytics and Reporting Tool (EV-ChART): Data Format and Preparation Guidance (V.5.0)

The Joint Office of Energy and Transportation maintains the Electric Vehicle Charging Analytics and Reporting Tool (EV-ChART), which provides a centralized hub for submitting electric vehicle (EV) charging infrastructure data directed by the Federal Highway Administration (23 CFR 680.112(a)-(c)). EV-ChART provides a streamlined data submission process and an integrated set of analytic tools, connects to other data sources, and empowers data sharing and access across stakeholders, including the public. Any data shared publicly will be aggregated and anonymized to stay in accordance with 23 CFR 680. This EV-ChART Data Format and Preparation Guidance provides a comprehensive overview of the data reporting requirements as authorized under 23 CFR 680.112(a)-(c)). The guidance is intended to be used alongside the EV-ChART Data Input Template, which defines the tabular data structure that these data submissions must follow. Per 23 CFR 680.112(a)-(c), the annual and quarterly data submissions are required of all National Electric Vehicle Infrastructure (NEVI) Formula Program projects, as well as projects for the construction of publicly accessible EV chargers that are funded with funds made available under Title 23, United States Code, including any EV charging infrastructure project funded with federal funds that is treated as a project on a federal-aid highway. One-time data submissions are required of both the NEVI Formula Program projects and grants awarded under 23 U.S.C. 151(f) for projects that are for EV charging stations located along and designed to serve the users of designated Alternative Fuel Corridors (AFCs). Other information and data required in 23 CFR 680, such as 23 CFR 680.112(d), 23 CFR 680.116(c), and 23 CFR 680.106(a), are not discussed in this guidance.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Design of Novel Hot Gas Component for Gas Turbine Engines Enabled by Materials and Additive Manufacturing Process Development

This CRADA project was the result of a project award under FOA-DOE-0001980. The overarching FOA project team consisted of researchers from Carpenter Technology Corporation (CTC), Solar Turbines Incorporated (Solar), Pennsylvania State University (PSU), University of California-Santa Barbara (UCSB), and Oak Ridge National Laboratory (ORNL). Evaluations were conducted on two high-γ’ superalloys that were designed by CTC and the UCSB. One alloy named GammaPrint-700 (GP-700) is a cobalt-base superalloy. The other alloy named GammaPrint-1100 (GP-1100) is a nickel-base (Ni-base) superalloy. PSU provided expertise and experimental testing of the thermal performance of AM micro-cooling architectures. ORNL provided expertise with the AM superalloy materials characterization and AM processing science. Solar provided turbine component design expertise. The focus of this CRADA report is to document the efforts between ORNL and CTC towards the development of superalloys designed for AM. The project goal was to use an AM processable high-temperature superalloy and design for Additive Manufacturing (DfAM) techniques to design an efficient turbine component (i.e. a turbine tip shoe) with enhanced cooling features that can only be fabricated through additive manufacturing (AM). The efficiencies of existing combined heat and power (CHP) engines are capped by both component design and materials limitations. However, AM of a tip shoe component from a γ’strengthened superalloy offers the design flexibility to increase the efficiency and power of an industrial gas turbine. This project brought about advancements in the DfAM tip shoe design space and in the area of high temperature superalloys processable through laser powder bed fusion (LPBF) AM. State of art computation design tools were utilized to optimize unique cooling features into a tip shoe component design. A two-prong materials development approach was taken to support development of the AM tip shoe geometry. The first approach centered on investigating the processability and the appropriate process science for the industry standard high-γ’ nickel-base (Ni-base) superalloy Mar-M247. This superalloy is typically cast and considered non-weldable by traditional welding standards. In the course of this work, the alloy was not deemed feasible for process scale-up due to significant cracking issues during printing. The second approach focused on the development and evaluation of a novel cobalt-base superalloy, GammaPrint™-700 (GP-700 and a Ni-base superalloy, GammaPrint™-1100 (GP-1100) designed to mitigate the significant AM processing issues with Mar-M247. The processability of these two alloys were investigated through electron beam melting (EBM) binder-jet AM (BJAM), and LPBF as a risk mitigation for manufacturability. To be considered a candidate material for down-selection to proceed to full-scale AM tip shoe engine testing trials, the high temperature creep rupture strength was required to achieve at a minimum, a Larsen Miller Parameter (LMP) increase of 10.9% over the baseline material LPBF AM Hastelloy X.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Formation of Organic Compounds Through Meteoritic Atmospheric Shock

This document is a Final Technical Report for DoE award DE-SC0023375 “Formation of Organic Compounds Through Meteoritic Atmospheric Shock”. The document includes a summary of topics studied, specific tasks completed, challenges, and results from the project. The main goal of this project was to investigate the production of organic molecules and/or complex inorganic precursor molecules in a plasma environment reminiscent of the environment surrounding meteoroids during atmospheric entries. The specific hypothesis tested in this project was that meteoroid ablation during the entry and the chemical reactions in the meteoroid plasma tail could have produced significant amounts of organics or precursor inorganics in the Early Earth’s atmosphere. Investigation of these processes is essential in understanding the origins of life on Earth and the search for life beyond our planet. This project was focused on a set of experiments conducted at the Utilizing the DIII-D tokamak in San Diego, CA. The experiments aimed to study the interaction of carbonaceous and silica materials (typically found in meteoroids) with mixtures of hot plasma gases (mimicking atmospheric entry conditions. The material samples and gas mixtures were selected to investigate the synthesis of the organic compound urea – a key ingredient in the origin of life – or one of its precursor, the complex inorganic compound ammonia.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Hydrochlorination of Uranium Dioxide in a Molten Salt Mixture- Phase 2: Sparged Benchtop Reaction Vessel Experiment

In 2023, Metatomic® Inc., a South Carolina based company, was awarded a Gateway for Advanced Innovation in Nuclear (GAIN) research voucher for a proposed series of experiments aimed at demonstrating the viability of a spent nuclear fuel (SNF) recycling process patented by Metatomic Inc. For the GAIN voucher, Metatomic Inc. selected Savannah River National Laboratory (SRNL) as a partner in executing the proposed proof-of-concept experiments. This report outlines the proof-of-concept experiments performed by SRNL for Metatomic Inc. during Phase 2 (of 2) experimentation. Though Phase 1 provided evidence of successful hydrochlorination, Phase 2 highlighted the nuances and challenges associated with scaling the reaction. The target UCl 4 species generated by the hydrochlorination of UO 2 generates water, which consumes UCl 4 . Compared to the single datapoint obtained at the end of the Phase 1 experiments, data collected at multiple timepoints during Phase 2 experiments indicated a presumed maximum percent conversion of 23% for this system that is likely influenced by water generation. Engineering improvements might be able to increase the percent conversion, but not likely to the degree needed for successful implementation of the technology. Moisture also presents an issue for the Hastelloy C276 reaction vessel. Eventually, corrosion will compromise the integrity of the reaction vessel, and the corrosion products could potentially affect the hydrochlorination chemistry. The presence of corrosion products, which were not produced in the Phase 1 alumina crucible, can and have created challenges when analyzing samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

FEED Study of Carbon Capture Inc. DAC and CarbonCure Utilization Using United States Steel's Gary Works Waste Plant

Direct Air Capture (DAC) has been proposed as a means of reducing atmospheric concentrations of CO2. While DAC has been evaluated through lab-scale, bench-scale, and small-scale pilot units, large-scale deployment has not been achieved. Feasibility studies are one tool to understand the potential design, operation, performance, and impact of commercial-scale DAC. This paper presents the results of a feasibility study for a passive DAC system deployed at >100,000 tpy scale in three different regions across the U.S. and awarded to Carbon Collect by the U.S. Department of Energy National Energy Technology Laboratory (DOE NETL). The MechanicalTree™technology has been designed and engineered by Carbon Collect based on the concept initially developed at Arizona State University Center for Negative Carbon Emissions. It uses a tower of stacked, sorbentcontaining disks supported by a lifting mechanism, exposed to the air to capture CO2 during the adsorption phase. The disks are then lowered into a regeneration chamber for vacuum and steam regeneration to produce CO2 product during the desorption step. The modular tree design allows large installations with repeatable, mass-manufactured units connected to common utilities such as steam supply, vacuum, and CO2 processing for compression and geologic storage. The passive DAC system eliminates the equipment and energy of forced air fans by using natural air circulation to contact the sorbent with the CO2 in the air. Because of this, the performance is dependent on the wind speed in addition to the temperature and relative humidity. Performance and flow rate fluctuations were incorporated into equipment and facility design with considerations for turndown to 10% of maximum rated flow to allow operation in all seasons. The feasibility study was undertaken to evaluate the technology in different regions and climates. Three locations were selected for this study representing different climates: Alabama (hot and humid), California (hot and arid), and Wyoming (continental). For each region, the adsorption/desorption cycle was optimized including tuning the heat integration and cycle timings. The performance of individual trees was then scaled to the full facility with the same design of more than 20,000 trees common between all regions. The installations had expected average CO2 capture rates of between 330,000 and 485,000 tonnes of CO2 per year depending on the climate. The initial engineering design for the facility at each location was performed with cost and performance estimates for the trees, carbon purification and compression, and the balance of plant. To supply thermal and electrical energy for the facility, carbon-free or low-carbon power must be considered. Options for low-carbon, continuous thermal and electrical energy were considered. The best-performing option from those considered was identified to be an electrically-heated molten salt energy storage system, powered by an on-site photovoltaic field. During molten salt thermal discharge, steam is produced from heat exchange with the molten salt and used to generate power in a steam turbine as well as steam for regenerating the DAC carbon trees. The thermal and electrical supply and analysis is presented in the context of low-carbon power for carbon removal. Modelling and economics of transportation and geologic storage of the CO2 is considered and presented for each location. The results of the feasibility study are incorporated into the presented techno-economic and life-cycle assessments. This work is intended to provide an understanding of the performance, cost, and impact of capturing CO2 at the commercial scale and the impact of climate and regional siting on the considered passive DAC system.

42 ENGINEERING↗
DOE OSTI2025

Computational methods based on density functional theory for reactions and processes involving electronic spin (Final Technical Report)

This award supports one post-doctoral researcher for 1.5 years. Publications that acknowledge this grant: Refs. 1–14. Refs. 3,10,12 assess current methodology for the evaluation of magnetic exchange couplings in transition metal complexes. In particular, Ref. 10 validates the use of an approximate (non-iterative) Green’s function approach for the calculation of magnetic exchange couplings and will be the foundation for Thrust 2 in this proposal. Refs. 3 and 12 focus on widely used density functional approaches based on the standard energy differences methodology for the particular case of oxo-bridged Fe(III) complexes. Refs. 2,4–7,11 apply current methodologies to problems of practical interest in molecular magnetism. Ref. 13 presents a methodology to explicitly simulate the dynamics of open quantum systems within density functional theory (DFT) calculations based on the Liouville-von Neumann equation of motion for quantum systems driven out-of-equilibrium. Ref. 8 uses non-collinear spin DFT to explain the mechanical behavior of magnetic mono-atomic Pt wires produced in break-junction experiments in the presence of a magnetic field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Primary System Thermal Fluids Analysis Model Development for the Compact High Temperature Gas Reactor (HC-HTGR) (Final Report)

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is collaborating on the thermal hydraulic design and analysis of HC-HTGR reactor pressure vessel internals to ensure the reactor maintains sufficient safety margins during normal operation, shutdown, and accident conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Interactions between land use, fires, and dust as drivers of global climate change (Final Technical Report)

This award to UC Irvine and Cornell University led to the publication of 18 papers, three of which are highly cited. According to ISI Web of Science, the body of work from this grant has been cited over 476 times by May 2025. Several additional publications remain in review. This grant contributed to several significant science advances, including an improved understanding of the influence of fire aerosols on global photosynthesis (Xu et al., 2021), dust-driven teleconnections between Africa and South America (Li et al., 2021), the role of fire aerosols in triggering phytoplankton blooms in the Arctic (Ardyna et al., 2022), and wildfire responses to heat waves (Li et al., in review). Several other studies are being written up for publication, and will acknowledge funding support. These efforts include an analysis in which the magnitude of tropical fire emissions from land use change is constrained by comparing E3SMv3 simulations with atmospheric observations. This work has revealed that carbon cycle model estimates of land use change may considerably overestimate the global tropical deforestation flux. The project also contributed to several technical advances, including a new process-based and scale-aware desert dust emission scheme for global climate models (Leung et al., 2023), an improved representation of dust and its influence on radiation in E3SM (Feng et al., 2022), an improved representation of the dust parameterization in the Community Earth System Model (Li et al., 2022), and an improved coupling of wildfires with atmospheric chemistry in E3SM v3.

58 GEOSCIENCES↗
DOE OSTI2024

Radiation Hardened Engineered Substrates for Time and Space Resolution

Low Gain Avalanche Diodes (LGADs) have become sensors of choice for fast timing of minimum ionizing particles. The current generation of these devices suffer from only moderate radiation hardness, low fill factor, and limited design options. Cactus Materials Inc. proposes to develop sensors with gain layer implants buried beneath the surface which will, with AC coupling developed by Brookhaven National Laboratory (BNL) and University of California Santa Cruz (UC Santa Cruz) solve these problems. Fermilab has a major role in the CMS timing upgrade using the current generation of LGADs and development of AC-coupled, buried layer LGADs will solve some of the central problems inherent in this technology. Annex B included a two-year work plan, deliverables, schedule and funding for the project’s SBIR Phase II award to develop and test prototype LGADs utilizing wafer bonding technology and epitaxial growth, that will allow for fabrication of radiation hard AC coupled devices with 100% fill factor and adjustable operating point.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Autonomous Fueling System for Heavy-Duty Fuel Cell Electric Trucks

The motivation for this project stemmed from the challenges associated with rapidly refueling heavy-duty hydrogen fuel cell electric trucks (FCETs). Current manual refueling processes for fast refueling involve large, heavy equipment (e.g., hoses three times heavier than standard) and pose ergonomic risks and potential for equipment damage. The goal was to develop and test an autonomous fueling system to improve ergonomics, enhance safety, increase equipment durability through design improvements, and potentially speed up the fueling process. This project aimed to add to the understanding of autonomous systems in the context of heavy-duty hydrogen refueling, evaluating the technical effectiveness of potential concepts. A successfully developed system would benefit the public by facilitating the adoption of zero-emission heavy-duty transport, reducing reliance on manual labor for a physically demanding task, and potentially improving the safety and efficiency of hydrogen refueling infrastructure. The major accomplishment during the project's active period was the completion of the system-level architecture task. This involved establishing a detailed list of system requirements covering interfaces, environmental conditions, regulatory compliance, industry standards, safety, security, performance capabilities, and optional features. Five key use cases for the autonomous system were also identified. However, due to internal restructuring at Nikola, the necessary resources could not be allocated to continue the project. Consequently, Nikola opted to discontinue the project. The award was mutually terminated by Nikola and the DOE.

08 HYDROGEN↗
DOE OSTI2025

Nuclear Direct Air Capture with Carbon Storage (NuDACCS) (Final Technical Report)

This final report, which is for DOE Award Number DE-FE0032160 (Direct Air Capture Combined with dedicated Long-Term Carbon Storage, Coupled to Existing Low-Carbon Energy), covers the Nuclear Direct Air Capture with Carbon Storage (NuDACCS) project period of performance from 03/31/2022 to 12/27/2024. Battelle Memorial Institute (Battelle) partnered with Aircapture LLC (Aircapture), Southern Company (Southern), Carbonvert, the University of Alabama, and Sargent & Lundy (S&L) to develop a front end engineering design (FEED) study for a direct air capture (DAC) system co-located with Southern Company's Joseph M. Farley Nuclear Plant (Plant Farley) in Columbia, Alabama. The DAC system was designed to capture at least 5,000 net tonnes of carbon dioxide (CO2) per year from ambient air in a form suitable for long duration carbon storage (e.g., geologic storage). To complement and support the FEED study, additional analyses were completed, including a Technology Maturation Plan (TMP); Workforce Readiness Plan; Project Cost Estimate; Business Case Analysis (BCA); Life Cycle Analysis (LCA); Environmental Health and Safety (EH&S) Assessment; and Environmental Justice (EJ) Analysis and Economic Revitalization and Job Creation Outcomes Analysis.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

High Efficiency Reversible Solid Oxide System (Final Technical Report)

This report was generated based upon work supported by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) under the Hydrogen and Fuel Cell Technologies Office, H2@Scale Initiative, Award Number DE-EE0008847. In this project, FuelCell Energy studied the design and performance of a system rated for 15kWe Charge/3 kWe Discharge energy storage system based on reversible solid-oxide technology.

08 HYDROGEN↗
DOE OSTI2025

Interactions Between Aerosols, Meteorology, and Early Convective Cloud Lifecycle as Measured During CACTI (Final Technical Report)

The research supported by this award sought to improve the understanding and forecasting of thunderstorms. We did so by using data from the RELAMPAGO-CACTI project, which deployed a suite of instruments around a mountain range in Argentina that sees thunderstorms erupt over the same general area almost daily. The main portion of our research examined the relationship between the concentration of atmospheric particulates (dust, smoke, etc) on the intensity of thunderstorms. Despite prior studies finding that increased particulate concentration corresponded to more intense storms, we found no effect, or if anything a slightly opposite effect.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

ESMs Latent Space Exploration for Uncertainty Quantification and Spatiotemporal Downscaling

This final report for DOE Award DE-SC0023044 presents advances in two key areas of climate modeling: (1) representative climate model selection and (2) Earth System Model (ESM) downscaling using hybrid AI methods. The first section introduces a reordered, three-stage workflow to select representative GCM runs that more effectively balance historical skill with ensemble spread, validated across Texas, Bihar, and New York. The second section introduces two novel super-resolution frameworks, ViSIR and ViFOR, that integrate Vision Transformers with sinusoidal and Fourier-based implicit neural representations. These models achieve state-of-the-art reconstruction accuracy for ESM variables including surface temperature and heat fluxes. The report includes detailed methodology, benchmarks, and results, demonstrating significant gains in uncertainty quantification, spatial fidelity, and scalability for climate-impact studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Analyzing Multifaceted Scientific Data with Topological Analytics (Final Technical Report)

This final technical report describes the activities undertaken through Department of Energy, Office of Science, Advanced Scientific Computing Research Early Career award DE-SC-0019039, “Analyzing Multifaceted Scientific Data with Topological Analytics." This report summarizes contributions made toward the research of visualization, machine learning, and topological data analysis of complex simulation data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Design of Novel Hot Gas Component for Gas Turbine Engines Enabled by Materials and Additive Manufacturing Process Development

This CRADA project was the result of a project award under FOA-DOE-0001980. The overarching FOA project team consisted of researchers from Carpenter Technology Corporation (CTC), Solar Turbines Incorporated (Solar), Pennsylvania State University (PSU), University of California-Santa Barbara (UCSB), and Oak Ridge National Laboratory (ORNL). Evaluations were conducted on two high-γ’ superalloys that were designed by CTC and the UCSB. One alloy named GammaPrint-700 (GP-700) is a cobalt-base superalloy. The other alloy named GammaPrint-1100 (GP-1100) is a nickel-base (Ni-base) superalloy. PSU provided expertise and experimental testing of the thermal performance of AM micro-cooling architectures. ORNL provided expertise with the AM superalloy materials characterization and AM processing science. Solar provided turbine component design expertise. The focus of this CRADA report is to document the efforts between ORNL and CTC towards the development of superalloys designed for AM. The project goal was to use an AM processable high-temperature superalloy and design for Additive Manufacturing (DfAM) techniques to design an efficient turbine component (i.e. a turbine tip shoe) with enhanced cooling features that can only be fabricated through additive manufacturing (AM). The efficiencies of existing combined heat and power (CHP) engines are capped by both component design and materials limitations. However, AM of a tip shoe component from a γ’strengthened superalloy offers the design flexibility to increase the efficiency and power of an industrial gas turbine. This project brought about advancements in the DfAM tip shoe design space and in the area of high temperature superalloys processable through laser powder bed fusion (LPBF) AM. State of art computation design tools were utilized to optimize unique cooling features into a tip shoe component design. A two-prong materials development approach was taken to support development of the AM tip shoe geometry. The first approach centered on investigating the processability and the appropriate process science for the industry standard high-γ’ nickel-base (Ni-base) superalloy Mar-M247. This superalloy is typically cast and considered non-weldable by traditional welding standards. In the course of this work, the alloy was not deemed feasible for process scale-up due to significant cracking issues during printing. The second approach focused on the development and evaluation of a novel cobalt-base superalloy, GammaPrint™-700 (GP-700 and a Ni-base superalloy, GammaPrint™-1100 (GP-1100) designed to mitigate the significant AM processing issues with Mar-M247. The processability of these two alloys were investigated through electron beam melting (EBM) binder-jet AM (BJAM), and LPBF as a risk mitigation for manufacturability. To be considered a candidate material for down-selection to proceed to fullscale AM tip shoe engine testing trials, the high temperature creep rupture strength was required to achieve at a minimum, a Larsen Miller Parameter (LMP) increase of 10.9% over the baseline material LPBF AM Hastelloy X.

36 MATERIALS SCIENCE↗