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NASA NTRS2005

CFD Multiphysics Tool

The recent bold initiatives to expand the human presence in space require innovative approaches to the design of propulsion systems whose underlying technology is not yet mature. The space propulsion community has identified a number of candidate concepts. A short list includes solar sails, high-energy-density chemical propellants, electric and electromagnetic accelerators, solar-thermal and nuclear-thermal expanders. For each of these, the underlying physics are relatively well understood. One could easily cite authoritative texts, addressing both the governing equations, and practical solution methods for, e.g. electromagnetic fields, heat transfer, radiation, thermophysics, structural dynamics, particulate kinematics, nuclear energy, power conversion, and fluid dynamics. One could also easily cite scholarly works in which complete equation sets for any one of these physical processes have been accurately solved relative to complex engineered systems. The Advanced Concepts and Analysis Office (ACAO), Space Transportation Directorate, NASA Marshall Space Flight Center, has recently released the first alpha version of a set of computer utilities for performing the applicable physical analyses relative to candidate deep-space propulsion systems such as those listed above. PARSEC, Preliminary Analysis of Revolutionary in-Space Engineering Concepts, enables rapid iterative calculations using several physics tools developed in-house. A complete cycle of the entire tool set takes about twenty minutes. PARSEC is a level-zero/level-one design tool. For PARSEC s proof-of-concept, and preliminary design decision-making, assumptions that significantly simplify the governing equation sets are necessary. To proceed to level-two, one wishes to retain modeling of the underlying physics as close as practical to known applicable first principles. This report describes results of collaboration between ACAO, and Embry-Riddle Aeronautical University (ERAU), to begin building a set of level-two design tools for PARSEC. The "CFD Multiphysics Tool" will be the propulsive element of the tool set. The name acknowledges that space propulsion performance assessment is primarily a fluid mechanics problem. At the core of the CFD Multiphysics Tool is an open-source CFD code, HYP, under development at ERAU. ERAU is renowned for its undergraduate degree program in Aerospace Engineering the largest in the nation. The strength of the program is its applications-oriented curriculum, which culminates in one of three two-course Engineering Design sequences: Aerospace Propulsion, Spacecraft, or Aircraft. This same philosophy applies to the HYP Project, albeit with fluid physics modeling commensurate with graduate research. HYP s purpose, like the Multiphysics Tool s, is to enable calculations of real (three-dimensional; geometrically complex; intended for hardware development) applications of high speed and propulsive fluid flows.

Perrell, Eric R.↗

DOE OSTI2023

Evaluating Portable Parallelization Strategies for Heterogeneous Architectures in High Energy Physics

High-energy physics (HEP) experiments have developed millions of lines of code over decades that are optimized to run on traditional x86 CPU systems. However, we are seeing a rapidly increasing fraction of floating point computing power in leadership-class computing facilities and traditional data centers coming from new accelerator architectures, such as GPUs. HEP experiments are now faced with the untenable prospect of rewriting millions of lines of x86 CPU code, for the increasingly dominant architectures found in these computational accelerators. This task is made more challenging by the architecture-specific languages and APIs promoted by manufacturers such as NVIDIA, Intel and AMD. Producing multiple, architecture-specific implementations is not a viable scenario, given the available person power and code maintenance issues. The Portable Parallelization Strategies team of the HEP Center for Computational Excellence is investigating the use of Kokkos, SYCL, OpenMP, std::execution::parallel and alpaka as potential portability solutions that promise to execute on multiple architectures from the same source code, using representative use cases from major HEP experiments, including the DUNE experiment of the Long Baseline Neutrino Facility, and the ATLAS and CMS experiments of the Large Hadron Collider. This cross-cutting evaluation of portability solutions using real applications will help inform and guide the HEP community when choosing their software and hardware suites for the next generation of experimental frameworks. We present the outcomes of our studies, including performance metrics, porting challenges, API evaluations, and build system integration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Choosing the Best Modeling Platform for Radiological Risk Assessment Models - 20468

Radiological risk assessments, in the form of performance or safety assessments, are often required under regulations or guidance for remediation of contaminated land, decommissioning of contaminated buildings or structures, and radioactive waste disposal. These risk assessments are usually supported by fate and transport models that address decay and ingrowth of radionuclides, as well as their movement through engineered systems and the natural environment. These models are often projected thousands, or more, years into the future, largely because the radioactive species change through decay and ingrowth, and hence the magnitude of the radioactive effect changes with time. There are many computer codes that are available to address this type of modeling. They range from addressing specific pathways or processes such as infiltration of water, groundwater, surface water, air, biota, diffusion and advection of water and gases, to those that try to couple all processes together to evaluate the impact of fate and transport through the entire system to places in space and time to which access is assumed. These different types of codes are sometimes separated with the monikers process-level and systems-level codes, although it is often not clear that this separation does justice to the capabilities of the many codes that are available to evaluate fate and transport of radionuclides. The focus of this paper is the latter group of modeling codes. Several systems level modeling codes exist and are used. There are differences between these codes in terms of utility, flexibility, complexity and cost. The purpose of this paper is to compare a few of these codes in the context of work currently being performed by the International Atomic Energy Agency (IAEA) Modeling and Data for Radiological Impact Assessments (MODARIA) II Working Group 1 (WG1). The MODARIA II WG1's main focus is how stakeholder engaged decision analysis can, or should, be applied to radiological contamination problems so that better, longstanding, sustainable, solutions are reached. However, the WG1 also recognizes the potential impact of the modeling tools that are chosen to address radiological risk, which is often a primary objective of decision making for radiological problems. Other objectives might also be important, such as constraining costs, obtaining financing, minimizing impact on ecosystems, saving cultural resources, saving jobs, farmland, environmental justice, etc., in a full decision analysis for a given radiological contamination problem, but none of these other objectives have the same types of complex modeling needs as minimize radiological dose. Consequently, a further focus of WG1 is to evaluate the potential impacts on decision making of the choice of fate and transport, and risk assessment, modeling codes that are used to support decision making. The WG1 will produce a report at the end of 2020 that will focus on an approach to effective decision making and stakeholder engagement. The report will also consider the role that performance assessment modeling should play in the decision-making process, including the impact of the choice of modeling tools or computer codes on risk-informed decision making. Several sites around the World have been made available by Member States for these model comparisons, and several modeling tools have been considered. However, the focus of this paper is on two of the sites, one in Belgium and one in Ukraine, and on three of the tools: NORMALYSA (NORM And Legacy Site Assessment); GoldSim{sup C}, and AMBER{sup C}. The final report from this working group will also cover other modeling tools, including RESRAD, and PC-Cream{sup R}. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

PV Validation Hub

The Validation Hub will be a clearinghouse for the transfer of novel algorithms and software from the PV research community to industry. Potential algorithms tested in the Hub could include the estimation of various PV loss factors and the detection of various operational issues. The primary function of the Hub will be for developers to submit executable code which will run on hosted data sets. Developers will receive private reports on the accuracy and performance (e.g., run-time) of the submitted algorithms, and public high level summaries will be hosted. These summaries will indicate the organization who submitted the algorithm (e.g., links to GitHub pages, documentation websites, etc.), high-level accuracy metrics, and standardized performance metrics. These results will be stored in a publicly available database, accessible through the Hub, with the ability for users to sort and filter the results. In short, the Hub will be presented to public users as a collection of interactive leaderboards, organized around specific analysis tasks pertinent to the PV data science community. These tasks include things such as the estimation of various PV loss factors and the detection of various operational issues. We will present progress on the development of this hub, including preliminary results of comparative validation of PV data science algorithms and progress towards building the platform itself.

algorithm↗

DOE OSTI2021

An Economics-by-Design Approach Applied to a Heat Pipe Microreactor Concept

Microreactors present a potential paradigm shift in the nuclear industry. Emphasis thus far has been on large-scale multi-billion-dollar projects that cater solely to grid electricity market. These projects can be challenging to finance and execute. On the other hand, microreactors are intended to target a wide variety of smaller niche markets and are expected to be factory-fabricated and more readily deployable. While diseconomies of scale for microreactors may tend to raise their costs per energy output (MWh) relative to large nuclear plants, offsetting gains can be expected from standardization, simplification, passive safety, lower radionuclide inventories, factory fabrication, fast installation, and low financing costs. To adequately assess these contributions, designers should have a different perspective on cost drivers than for large nuclear plants and can utilize novel approaches for systematic cost reduction. To account for these important aspects of microreactors, this report proposes an economics-by-design approach that places economic considerations at the center of the design process. The methodology builds on existing frameworks such as design-to-cost and value engineering, expanding them to new markets (beyond the grid), new attributes (beyond costs alone), and introducing the approach at earlier points in the design cycle. Design parameters and technical specifications are systematically evaluated until costs meet market entry points, while also providing the high-priority performance attributes of the particular use case. Determining first-order estimates for different components early in the process enables designers to focus R&D efforts on the biggest overall cost contributors and components with the most cost uncertainty. The analysis is always guided by market needs and threshold prices. In addition to microreactors, the approach is expected to be useful for other classes of nuclear reactors as well. The analysis was applied to a concept found in the open literature (the Design A heat-pipe reactor). A comprehensive bottom-up estimate was generated by leveraging a new microreactor-specific code of accounts and a range of cost equations. The initial estimate for levelized cost of electricity (LCOE) unsurprisingly exceeded market ranges since the use case had prioritized technological readiness over economic considerations in design choices. An alternate concept was then proposed, with various assumptions/targets made to reduce the largest cost contributors. Changes in the neutron spectrum, the power output, and building structures were found to make even the first-of-a-kind of this modified concept competitive with diesel generation in some remote communities. Learning rate (LR) assumptions indicated cost reductions achieved from sequential unit deployments could expand the range of competitiveness to include additional markets as deployments proceed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Development and demonstration of a methodology to evaluate high burnup fuel susceptibility to pulverization under a loss of coolant transient

For economic reasons, the US nuclear industry is renewing efforts to build a technical basis to extend rod average burnup limits above the current regulatory burnup limit of 62 GWd/MTU. The primary driver is to increase pressurized water reactor cycle lengths to 24 months, reducing the number of fresh fuel assemblies and core design constraints, thereby making core energy utilization more efficient. However, fuel pellet fragmentation and pulverization, termed high burnup fuel fragmentation (HBFF), has been observed in the high burnup (>90 GWd/MTU) Halden loss-of-coolant-accident (LOCA) integral test series. The issue gained attention when fuel fragmentation and pulverization were also observed closer to the current US regulatory limit during the US Nuclear Regulatory Commission (NRC) sponsored out-of-core integral test at Studsvik Nuclear in early 2011. This led to NRC concerns with potential changes to fuel and core designs relative to fuel pellet pulverization. In a letter to the NRC Commissioners, the staff specifically identified a need to “…define the boundary of safe operation for key fuel design and operating parameters,” stating that “the staff is challenged to evaluate the acceptability of future fuel design advancements and fuel utilization changes.” As such, it can be concluded that HBFF and potential dispersal into the reactor coolant system introduces additional complications in light-water reactor (LWR) fuel safety evaluations. However, it is not clear how much fuel will be susceptible to HBFF; nor has there been a methodology developed to evaluate fuel susceptibility to HBFF. To that end, this paper proposes an analysis methodology to assess fuel susceptibility to HBFF during LOCA scenarios. The work presented here uses the BISON fuel performance code to evaluate a representative pressurized water reactor fuel rod exposed to a rod average burnup of 75 GWd/MTU. Sensitivity studies investigated the impact of the peak cladding temperature, transient fission gas released, and pre-transient fission gas release on cladding ballooning and burst timing. Subsequently, a methodology to assess fuel susceptibility to HBFF will be developed based on experimental data published in the open literature. The methodology will then be demonstrated by calculating the mass of fuel susceptibility to HBFF. The BISON results conclude that increasing peak cladding temperature drastically decreased time to failure, and decreased balloon size both of which have been confirmed experimentally. Additionally, the effect of pre-transient and transient fission gas release affected cladding balloon size and burst timing. Finally, fuel susceptibility to HBFF significantly decreased as a function of peak cladding temperature.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Dataset 3: A National Dataset on Actionable Items in Improving Pooled Rideshare, 2025.

Dataset 3: A National Dataset on Actionable Items in Improving Pooled Rideshare.” 2025. Dataset Description: Pooled Rideshare Acceptance Survey - Phase 3 (2025, N = 8,296). This dataset represents the third and final phase of a national survey aimed at understanding user acceptance and preferences related to pooled rideshare (PR) services in the United States. Building on insights from earlier phases, this phase expands both the sample size and the depth of analysis to support policymaking, transportation planning, and service design for sustainable mobility systems. The Phase 3 survey was administered online to a nationally representative sample of 8,296 U.S. adults. The sample includes a wide range of demographics. The survey retained core questions from previous phases while introducing 77 detailed service features (actionable items) to evaluate potential improvements to PR offerings. Each feature was designed to assess whether a specific improvement, such as enhanced safety measures, real-time ride tracking, or user training would increase participants’ willingness to adopt PR services. In addition, behavioral predictors, current rideshare habits, environmental attitudes, and perceived barriers (e.g., safety, privacy, and comfort) were captured. - Phase_3_Final - The dataset contains rows corresponding to individual respondents and columns representing survey items, demographic characteristics, and response values. The data is available in both .CSV and .SAV formats. - Phase_3_Final_MapFile - Accompanying this dataset is a data dictionary explaining each variable, value range, and coding schema. An .XLSX format of the full survey instrument is included to support interpretation and reuse of the dataset.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Geothermal Play Fairway Analysis, Part 2: GIS methodology

Play Fairway Analysis (PFA) in geothermal exploration originates from a systematic methodology developed within the petroleum industry and is based on a geologic, geophysical, and hydrologic framework of identified geothermal systems. We tailored this methodology to study the geothermal resource potential of the Snake River Plain and surrounding region, but it can be adapted to other geothermal resource settings. We adapted the PFA approach to geothermal resource exploration by cataloging the critical elements controlling exploitable hydrothermal systems, establishing risk matrices that evaluate these elements in terms of both probability of success and level of knowledge, and building a code-based ‘processing model’ to process results. A geographic information system was used to compile a range of different data types, which we refer to as elements (e.g., faults, vents, heat flow, etc.), with distinct characteristics and measures of confidence. Discontinuous discrete data (points, lines, or polygons) for each element were transformed into continuous interpretive 2D grid surfaces called evidence layers. Because different data types have varying uncertainties, most evidence layers have an accompanying confidence layer which reflects spatial variations in these uncertainties. Risk layers, as defined here, are the product of evidence and confidence layers, and are the building blocks used to construct Common Risk Segment (CRS) maps for heat, permeability, and seal, using a weighted sum for permeability and heat, but a different approach with seal. CRS maps quantify the variable risk associated with each of these critical components. In a final step, the three CRS maps were combined into a Composite Common Risk Segment (CCRS) map, using a modified weighted sum, for results that reveal favorable areas for geothermal exploration. Additional maps are also presented that do not mix contributions from evidence and confidence (to allow an isolated view of evidence and confidence), as well as maps that calculate favorability using the product of components instead of a weighted sum (to highlight where all components are present). Our approach helped to identify areas of high geothermal favorability in the western and central Snake River Plain during the first phase of study and helped identify more precise local drilling targets during the second phase of work. By identifying favorable areas, this methodology can help to reduce uncertainty in geothermal energy exploration and development.

15 GEOTHERMAL ENERGY↗

NASA NTRS1991

Development of a portable multispectral thermal infrared camera

The purpose of this research and development effort was to design and build a prototype instrument designated the 'Thermal Infrared Multispectral Camera' (TIRC). The Phase 2 effort was a continuation of the Phase 1 feasibility study and preliminary design for such an instrument. The completed instrument designated AA465 has application in the field of geologic remote sensing and exploration. The AA465 Thermal Infrared Camera (TIRC) System is a field-portable multispectral thermal infrared camera operating over the 8.0 - 13.0 micron wavelength range. Its primary function is to acquire two-dimensional thermal infrared images of user-selected scenes. Thermal infrared energy emitted by the scene is collected, dispersed into ten 0.5 micron wide channels, and then measured and recorded by the AA465 System. This multispectral information is presented in real time on a color display to be used by the operator to identify spectral and spatial variations in the scenes emissivity and/or irradiance. This fundamental instrument capability has a wide variety of commercial and research applications. While ideally suited for two-man operation in the field, the AA465 System can be transported and operated effectively by a single user. Functionally, the instrument operates as if it were a single exposure camera. System measurement sensitivity requirements dictate relatively long (several minutes) instrument exposure times. As such, the instrument is not suited for recording time-variant information. The AA465 was fabricated, assembled, tested, and documented during this Phase 2 work period. The detailed design and fabrication of the instrument was performed during the period of June 1989 to July 1990. The software development effort and instrument integration/test extended from July 1990 to February 1991. Software development included an operator interface/menu structure, instrument internal control functions, DSP image processing code, and a display algorithm coding program. The instrument was delivered to NASA in March 1991. Potential commercial and research uses for this instrument are in its primary application as a field geologists exploration tool. Other applications have been suggested but not investigated in depth. These are measurements of process control in commercial materials processing and quality control functions which require information on surface heterogeneity.

Osterwisch, Frederick G.↗

NASA NTRS2015

Sub-GLE Solar Particle Events and the Implications for Lightly-Shielded Systems Flown During an Era of Low Solar Activity

Many of the large space missions must be very rigorous in their designs to reduce risk from radiation damage as much as possible. Some ways of reducing this risk have been to build in multiple redundancies, purchase/develop radiation hardened electronics parts, and plan for worst case radiation environment scenarios. These methods work well for these ambitious missions that can afford the costs associated with these meticulous efforts. However, there have been more small spacecraft and CubeSats with smaller duration missions entering the space arena, which can take some additional risks, but cannot afford to implement all of these risk-reducing methods. Therefore, one way to quantify the radiation exposure risk for these smaller spacecraft would be to investigate the radiation environment pertinent to the mission to better understand these radiation exposures, rather than always designing to the infrequent, worst-case environment. In this study, we have investigated 34 historical solar particle events (1974-2010) that occurred during a time period when the sun spot number (SSN) was less than 30. These events contain Ground Level Events (GLE), sub-GLEs, and sub-sub-GLEs(sup 1-3). GLEs are extremely energetic solar particle events (SPEs) having proton energies often extending into the several GeV range and producing secondary particles in the atmosphere, mostly neutrons, observed with ground station neutron monitors. Sub-GLE events are less energetic, extending into the several hundred MeV range, but without producing detectable levels of secondary atmospheric particles. Sub-sub GLEs are even less energetic with an observable increase in protons at energies greater than 30 MeV, but no observable proton flux above 300 MeV. The spectra for these events were fitted using a double power law fit in particle rigidity, called the Band fit method. The differential spectra were then input into the NASA Langley Research Center HZETRN 2005, which is a high-energy particle transport/dose code, to determine the dose in various thicknesses of aluminum, representing the spacecraft. This paper will detail the absorbed dose results of each of these environments, as well as analyze the data to better understand the doses over small thicknesses that are more relevant to small spacecraft and satellites, such as CubeSats. In addition, we will discuss the implications of these data and provide some recommendations that may be useful to spacecraft designers of these smaller spacecraft/CubeSat-type missions.

Atwell, William↗

NASA NTRS2016

Generalized Fluid System Simulation Program, Version 6.0

The Generalized Fluid System Simulation Program (GFSSP) is a general purpose computer program for analyzing steady state and time-dependent flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors, and external body forces such as gravity and centrifugal. The thermofluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the 'point, drag, and click' method; the users can also run their models and post-process the results in the same environment. Two thermodynamic property programs (GASP/WASP and GASPAK) provide required thermodynamic and thermophysical properties for 36 fluids: helium, methane, neon, nitrogen, carbon monoxide, oxygen, argon, carbon dioxide, fluorine, hydrogen, parahydrogen, water, kerosene (RP-1), isobutene, butane, deuterium, ethane, ethylene, hydrogen sulfide, krypton, propane, xenon, R-11, R-12, R-22, R-32, R-123, R-124, R-125, R-134A, R-152A, nitrogen trifluoride, ammonia, hydrogen peroxide, and air. The program also provides the options of using any incompressible fluid with constant density and viscosity or ideal gas. The users can also supply property tables for fluids that are not in the library. Twenty-four different resistance/source options are provided for modeling momentum sources or sinks in the branches. These options include pipe flow, flow through a restriction, noncircular duct, pipe flow with entrance and/or exit losses, thin sharp orifice, thick orifice, square edge reduction, square edge expansion, rotating annular duct, rotating radial duct, labyrinth seal, parallel plates, common fittings and valves, pump characteristics, pump power, valve with a given loss coefficient, Joule-Thompson device, control valve, heat exchanger core, parallel tube, and compressible orifice. The program has the provision of including additional resistance options through User Subroutines. GFSSP employs a finite volume formulation of mass, momentum, and energy conservation equations in conjunction with the thermodynamic equations of state for real fluids as well as energy conservation equations for the solid. The system of equations describing the fluid network is solved by a hybrid numerical method that is a combination of the Newton-Raphson and successive substitution methods. The application and verification of the code has been demonstrated through 30 example problems.

Majumdar, A. K.↗

DOE OSTI2022

NucMesh: nuclear reactor geometry creation and mesh generation module in NEMoSys

NucMesh is a parameterized geometry and mesh generator for nuclear reactors developed within the Nuclear Energy Modeling System NEMoSys at Illinois Rocstar. NEMoSys is a platform developed for mesh generation, adaptive refinement, and solution verification. NucMesh is implemented to be generalized and extensible with a robust computer aided design engine and multiple mesh generation algorithms for unstructured triangular, quad-dominant, and structured quadrilateral meshing. In this paper, we present the geometric and meshing features of NucMesh. Geometrically objects are constructed bottom-to-top and overlaps are addressed automatically. A sophisticated object tracking algorithm prevents data from being lost for segmented objects. We discuss the primitive objects of circle and polygons that constitute the module and show how they are used with example inputs. Arrays of primitives and arrays of arrays are utilized to build large assemblies of objects. The concept of saved objects is discussed to demonstrate how repetitive objects can be reused easily and augmented in place. Three dimensional meshes can be obtained through mesh extrusion where all materials and side sets are extended to three dimensions. We show that side sets can be defined nearly anywhere within the geometry and can then be applied to the mesh. Finally, example reactor meshes are demonstrated for the Idaho National Laboratory Advanced Test Reactor and Los Alamos National Lab Empire reactor, both of which use control drums that NucMesh handles easily. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds

X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret experimental spectra and draw physical insights. Recently, there has also been growing interest in building computational XAS databases to enable data analytics and machine learning applications. However, there are non-trivial differences among commonly used XAS simulation codes, both in underlying theoretical formalism and in technical implementation. Reliable and reproducible computational XAS databases require systematic benchmark studies. In this work, we benchmarked Ti K-edge XAS simulations of ten representative Ti-O binary compounds, which we refer to as the Ti-O-10 dataset, using three state-of-the-art codes: XSPECTRA, OCEAN and exciting. We systematically studied the convergence behavior with respect to the input parameters and developed a workflow to automate and standardize the calculations to ensure converged spectra. Our benchmark comparison considers a 35 eV spectral range starting from the K-edge onset, representative of widely used near-edge spectra. Quantitative comparison over this range is based on Spearman’s rank correlation score (r sp ). Our results show: (1) the two Bethe-Salpeter equation (BSE) codes (OCEAN and exciting) have excellent agreement with an average $r$ $sp$ of 0.998; (2) good agreement is obtained between the core-hole potential code (XSPECTRA) and BSE codes (OCEAN and exciting) with an average $r$ $sp$ of 0.990, and this smaller $r$ $sp$ reflects the noticeable differences in the main edge spectral shape that can be primarily attributed to the difference in the strength of the screened core-hole potential; (3) simulations from both methods overall reproduce well the main experimental spectral features of rutile and anatase, and the different treatments of the screened core-hole potential have visible impact on pre-edge intensities and the peak ratio of the main edge; (4) there exist moderate differences in the relative edge alignment of the three codes with a standard deviation of about 0.2 eV, which arise from multiple contributions including the frozen core approximation, final state effects, and different approximations used for the self-energy correction. In conclusion, our benchmark study provides important standards for first-principles XAS simulations with broad impact in data-driven XAS analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Proposed guidance for preparing and reviewing a molten salt non-power production or utilization facility application

Development of non-power molten salt reactors (MSRs) are under consideration to further establish an MSR experience base, support the requirements of Title 10 of the Code of Federal Regulations (10 CFR) Section 50.43(e), and provide any additional analyses needed for development of a full-scale MSR. Guidance provided in this report is based on MSRs operating with liquid fuel (i.e., fuel dissolved within a molten salt). These reactors, unless owned by the DOE or DOD, will require licensing by the US Nuclear Regulatory Commission (NRC) staff. Standard review plan (SRP) guidance for large light water reactors (LWRs) is available in NUREG-0800, Standard Review Plan for the Review of Safety Analysis Reports for Nuclear Power Plants; Light Water Reactor (LWR) Edition. However, NRC staff observed that NUREG-0800 is very cumbersome to apply to non-power reactors “because of the great differences in complexity and hazards between non-power reactors and nuclear power plants.” Therefore, a program to develop performance-based guidance applicable to non-power reactors was initiated. In 1996, NUREG-1537, Parts 1 and 2, Guidelines for Preparing and Reviewing Applications for the Licensing of Non-Power Reactors, was published. Part 1, the format and content guide, suggests a uniform format for presenting information in non-power reactor applications that is acceptable to the NRC staff, but conformance with the format and content is not required. Part 2, the SRP, ensures the quality and uniformity of the staff review of an application. Unfortunately, the application guidelines and SRP do not provide adequate guidance for all advanced non-LWR technologies and applications. This discrepancy eventually led to the 2012 development of interim staff guidance (ISG) for NUREG-1537, which includes criteria for describing and reviewing aqueous homogeneous reactors (AHRs). Specifically, NUREG-1537 ISG, 2012 expanded the original document to address three areas: 1. updated criteria for heterogeneous non-power reactors, 2. criteria for licensing AHRs, and 3. criteria for licensing a Part 50-licensed isotope production facility. In 2015, the US Department of Energy (DOE) opted to build on the AHR NUREG-1537 ISG experience by performing a gap analysis of the guidance that would be used to license a non-power MSR. MSRs represent one of the advanced non-LWR technologies selected by DOE for development through a multiyear cost share award with Southern Company Services. Under this Advanced Reactor Concepts 2015 (DOE Advanced Reactor Concepts [ARC] 15) award program, the DOE tasked Oak Ridge National Laboratory (ORNL) to evaluate the guidance changes that the NRC may need to consider when licensing an MSR non-power reactor. ORNL staff, with support from Boston Government Services, LLC, focused on five system-related chapters in NUREG-1537 that were considered most relevant to inform the effort that would be required for a non-power MSR applicant. ORNL documented this review in a technical report, ORNL/TM-2018/834, Proposed Guidance for Preparing and Reviewing Molten Salt Non-Power Reactor License Applications (NUREG-1537). The report was subsequently shared with industry and the NRC. The 2018 review was limited in scope, focusing on key system chapters based on the expected significance of each chapter relative to expected differences in addressing advanced non-LWR technologies, specifically non-power MSRs, compared with heterogeneously fueled non-power reactors. In the ORNL report, proposed generic adaptations were suggested for the following NUREG-1537 chapters: Chapter 4, “Reactor Description”; Chapter 5, “Reactor Coolant Systems”; Chapter 6, “Engineered Safety Features”; Chapter 9, “Auxiliary Systems”; Chapter 11, “Radiation Protection Program and Waste Management” The inclusion of Chapter 11 in the previous review effort was intended to provide guidance for categorizing the waste-handling process for an MSR operating with homogenous fuel. The introductions from Parts 1 and 2 of the 2012 NUREG-1537 ISG provide guidance for the application and review of production facilities. After a period of operation, non-power MSRs with homogenous fuel will include gaseous and soluble fission products. The gaseous fission products will be collected and held for decay in an off-gas system. There might also be an initiative to polish or filter the soluble fission products in the fuel salt by some mechanical or chemical means. The treatment and handling of fission products in the non-power MSR fuel salt and the description of this process in the safety analysis report (SAR) must be very precise to avoid the waste treatment facility being construed as a co-located special nuclear material (SNM) fuel cycle facility (see Section 2.3 of this report). Subsequent to the release of ORNL/TM-2018/834, NRC staff expressed a desire to continue the regulatory gap analysis that was begun in that report. This would provide additional clarity and information addressed in certain sections of the original report, while also providing new guidance on certain topics not addressed in the original report. This revision would benefit the NRC staff reviewing applications involving non-power MSR designs and would help developers understand how the NRC staff might approach the review of such applications. The focus of this report is to provide infrastructure support to the NRC staff for the regulatory review of non-power MSRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Data-Driven Optimization of the Processing Window for 316H Components Fabricated Using Laser Powder Bed Fusion

The Advanced Materials and Manufacturing Technologies Program is focused on accelerating the development and deployment of advanced materials and components fabricated via additive manufacturing with a specific focus on laser powder bed fusion (LPBF). As an initial case study, the program has selected 316H stainless steel (SS) as an initial material around which to develop a code case development strategy. This strategy involves two parallel approaches: (1) an equivalency approach whereby round-robin testing across multiple collaborating laboratories demonstrates repeatability in processing and direct comparisons with conventional wrought 316H material and (2) a revolutionary approach to code qualification combining in situ data collection and high-fidelity modeling to capture, predict, and bound the performance of LPBF 316HSS components. As part of this campaign, this work package has initiated an extensive process optimization campaign across three laboratories, each printing variations of LPBF 316HSS using three different LPBF units (Concept Laser, EOS, and Renishaw). In FY23, ORNL has focused on unique experimental designs spanning wide ranges in energy inputs and turning knobs such as scan speed, laser power, hatch spacing, layer thickness, spot size, scan rotation, and more. On the Concept Laser M2, 72 different combinations of processing variables were investigated with duplicate samples and different powder compositions. In total, 252 samples were printed with combined in situ sensing data. A parallel design of experiments was conducted on the Renishaw AM400 with an additional 390 printed specimens for analysis. All 642 miniature specimens, each with unique features included in each print to capture geometry-related heterogeneity, were subjected to high-throughput x-ray computed tomography (XCT) analysis to enable the downselection of specific processing parameters of interest. Then, using electrical discharge machining (EDM), miniature tensile specimens were extracted for mechanical testing and microscopy investigations. From the analysis performed in FY23, it was found that powder composition drastically affects the resulting microstructure and mechanical performance of 316SS. Specifically, changing from 316L to 316HSS powder results in a wide range of grain sizes with varying degrees of preferred grain orientation, which increases as a function of energy density. It was also found that due to stored heat in thin fin–type features, large microstructural differences can be seen within one part printed with one set of processing parameters. These variations in microstructure features, including grain size, the nanoscale dislocation structure, and grain texture, will all affect the irradiation performance and high-temperature mechanical performance of LPBF 316HSS parts. Two sets of concept laser processing parameters, spanning both refined and columnar grain structures, were scaled to print larger 316H builds for campaign testing (high-temperature creep and irradiation). In addition, at least two optimized processing parameter sets were identified for the Renishaw AM400 for round-robin testing in FY24 with Argonne National Laboratory. Future work includes printing samples using identical parameters identified by partner institutions, providing material for corrosion and high-temperature mechanical testing, and continuing evaluations of heterogeneity in larger printed parts.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Data-Driven Optimization of the Processing Window for 316H Components Fabricated Using Laser Powder Bed Fusion

36 MATERIALS SCIENCE↗

DOE OSTI2026

Analog-to-digital converter based on voltage-controlled superconducting devices

The increasing demand for cryogenic electronics in superconducting and quantum computing systems calls for ultra-energy-efficient data conversion architectures that remain functional at deep cryogenic temperatures. Here, in this work, we present the first design of a voltage-controlled superconducting flash analog-to-digital converter (ADC) based on a voltage-controlled quantum-enhanced Josephson junction field-effect transistor (JJFET). Exploiting its strong gate tunability and transistor-like behavior, the JJFET offers a scalable alternative to conventional current-controlled superconducting devices while aligning naturally with CMOS-style design methodologies. Building on our previously developed Verilog-A compact model calibrated to experimental data, we design and simulate a three-bit JJFET-based flash ADC targeted for integration within cryogenic control and readout circuitry in quantum computing. The core comparator block is realized through careful bias current selection and augmented with a three-terminal nanocryotron to precisely define reference voltages. Cascaded JJFET comparators ensure robust voltage gain, cascadability, and logic-level restoration across stages. Simulation results demonstrate accurate quantization behavior with ultra-low power dissipation, underscoring the feasibility of voltage-driven superconducting mixed-signal circuits. This work establishes a critical step toward unifying superconducting logic and data conversion, paving the way for scalable cryogenic architectures in quantum–classical co-processors, low-power artificial intelligence accelerators, and next-generation energy-constrained computing platforms.

Analog-to-digital converter↗

DOE OSTI2025

A Data Processing Pipeline To Extract A Knowledge Graph From Heterogeneous Data For Socio-technical Analysis Of Critical Infrastructure Influence

The code is written in Python and consists of the following pipeline that is implemented in Apache Airflow. This pipeline intends to understand the companies that are directly or indirectly involved with a type of critical infrastructure system at some point in that system's lifecycle. The pipeline takes a configuration file that specifies a list of initial companies to consider, a geographic region of interest, and a set of SEC form types as well as other data sources (e.g. CrunchBase) from which to extract entities and relations. There are four main components to this pipeline as currently implemented: Entity Extraction, Network Construction, Analysis, and Visualization. First, Entity Extraction, is implemented as the `topear-extract_organizations` Apache Airflow workflow. Given an initial query that specifies a geographic region of interest and a time interval, the software will extract CI facilities of interest and organizations that have a direct influence relationship to those facilities (e.g. ownership). During the course of the LDRD, we focused on Electric Vehicle charging stations and this information is available via the Department of Energy (DOE) database on fueling stations maintained by NREL. Within the context of the DOE CESER project, we have focused on Battery Energy Storage Systems (BESS). Second, the Network Extraction component will iteratively construct a social network graph given the set of organizations and people extracted in the previous step. Organizations (and eventually People if desired) are then fed as a query to the `topgear-construct_social_network` Apache Airflow workflow which given a set of initial companies and data sets (e.g. SEC EDGAR form types, OpenCorporates, Crunchbase). This Airflow workflow will iteratively query such data sources to discover relationships with new organizations and people. For example, this module can iteratively query SEC EDGAR for metadata that documents the number of each type of form for the given set of companies and their location. This forms metadata represents a catalog of data sources from SEC EDGAR for the extracted social network knowledge graph. The pipeline then downloads these forms from the website and saves them in a build directory for further processing. These documents are then parsed for entities and relations. Again, we note that in additional to SEC data sources, this step can also pull in information on organizations via API services such as CrunchBase and OpenCorporates or bulk data sources. At the end of this step, the resultant social network, the Critical Infrastructure network, and the edges that encode relationships between organizations and CI facilities, form the Adversarial Socio-Technical Network (ASTN) that informs the analysis. Third, the Analysis component processes these generated ASTN. Previously, that has included the ability to compare prevalence of different vendors for a given infrastructure component type across different regions as well as identify common public and private investors across those vendors. This was demonstrated for EV Charging Stations across several different metropolitan areas within an IEEE PES GridEdge publication. More recently, we have looked at ways to identify infrastructure owners and operators of BESS with the most nameplate capacity across different states as well as other indictors of risk resulting from changes in ownership over time. Finally, the Visualization component consists of an HTML/CSS/JS framework by which users can interact geospatial, operational, and organizational relationships across a given portfolio of Critical Infrastructure facilities. The objective is to provide a library of UI/UX modules that can be repurposed for stakeholder-specific dashboards. All of the modules are related via a common event model that enables UI actions in one view to percolate across the other views.

Weaver, Gabriel [Idaho National Laboratory (INL), ↗