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Initial development of a high temperature life prediction method directly accounting for variability in material properties

This report presents the initial development of a life prediction method that accounts for the variability of the material properties in Grade 91 steel. We account for material variability by both fitting a variable 3-parameter Weibull distribution to the rupture data of the material and by quantifying the effect that the creep deformation properties have on stresses via a Monte Carlo approach. To ensure a reasonable time frame when applying Monte Carlo to the creep stress, we propose a methodology that models the material as an extremely viscous Stokes flow with a non-Newtonian viscosity, therefore solving the problem in a single step. We use the final probabilistic model for structural failure developed in this document to evaluate a Flat Head Vessel designed with the Section III, Division 5 ASME Boiler Pressure and Vessel Code rules with a 100,000h design life and assess its probability of premature failure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Investigating the Effects of Bars on Star Formation and Nuclear Activity of Galaxies Using DESI Survey Data

We present a statistical analysis of the connections between galactic bars, star formation, and active galactic nucleus (AGN) activity using 33,201 disk galaxies (0.01 < z < 0.05) from Dark Energy Spectroscopic Instrument Data Release 1 (DESI DR1) cross-matched with Galaxy Zoo DESI. Based on morphological classifications, we identify 3508 strongly barred and 8335 weakly barred systems. We find that barred galaxies exhibit a clear bimodal distribution in color–mass space: weak bars are preferentially found in bluer, lower-mass disks, whereas strong bars are more common in massive, redder systems. Strongly barred galaxies are on average more massive and metal rich than unbarred systems. In addition, strong bars enhance central star formation rates (SFRs) in low-mass galaxies but reduce specific SFRs in massive systems, reflecting a dual role where bars initially trigger central star formation but eventually promote quenching by accelerating gas consumption. In terms of nuclear activity, barred galaxies display a higher incidence of AGN activity. The presence of a bar is also associated with an increased fraction of powerful AGN, with the highest proportions found in strongly barred systems. However, the correlations between AGN activity and detailed bar structural parameters are weak, suggesting that the link between bars and nuclear activity is indirect and regulated by multiple factors. Overall, our results support a scenario in which bars facilitate angular momentum transport and gas inflow, thereby driving central star formation and fueling supermassive black hole accretion while operating alongside other processes that shape galaxy evolution.

Liu, Jianfei [Chinese Academy of Sciences (CAS), B↗

A Model Based Approach to Extract Health Information from Textual Data

In current nuclear power plants (NPPs) a large amount of condition-based data is being generated and stored to assess and monitor component health and performance. The format of this data can be either numeric (e.g., pump vibration data) or textual (e.g., condition report which assess component health). While assessing component health from numeric data can be performed with a large variety of methods, the extraction of information from textual data still remains a challenge. Natural language processing (NLP) methods are starting to be deployed in current NPPs mainly to filter out incident reports (IRs) that are not safety related by employing supervised machine learning methods. However, these methods do not really provide the quantitative information that might be contained in IRs. This paper presents an approach to extract information from textual data (e.g., from IRs, maintenance reports) that is based on NLP data analytics methods coupled with model-based system engineer (MBSE) models. NLP methods are employed to perform syntactic and semantic analyses. Syntactic analysis analyzes the grammatical structure of a sentence; such analysis includes: part of speech (POS) tagging (i.e., identification of grammatic elements of each string - e.g., nouns, verbs), named entity recognition (i.e., identification of text entities - e.g., names, dates, events), and relation extraction (e.g., coreference resolution). On the other hand, semantic analysis is designed to analyze the logic structure of a sentence. Through a specific set of rules, our methods can identify whether a sentence contains health information of a component (e.g., degraded performance, anomaly behavior) or the causal relationship between two events (i.e., a cause-effect pair). An innovative element of our approach is that semantic analysis relies on MBSE models to identify links between textual elements. MBSE are diagrams designed to represent system and component dependencies (from both a form and functional point of view). In our approach, MBSE models emulate system engineer knowledge about component/system architecture. This paper presents in detail how the integration of NLP methods and MBSE models is performed. Few analysis examples focusing on centrifugal pumps are presented.

97 - MATHEMATICS AND COMPUTING↗

New transitions and levels for 163 Tb obtained from β-decay studies

Transitions in 163 Tb following β decay of 163 Gd were obtained as part of investigations of γ rays emitted following 163 Euβ decay to 163 Gd. In this work, detailed analysis of the low-energy structure of 163 Tb has been carried out with these data to expand previous β-decay studies and reactions studies of levels in 163 Tb. Data were collected at the LeRIBSS station of the Holifield Radioactive Ion Beam Facility at Oak Ridge National Laboratory with an array of four Clover HPGe detectors for γ rays and two plastic scintillators for β detection. The γ rays were identified as belonging to 163 Gd and 163 Tb via mass selection and γ-γ-β, γ-γ, or γ-x-ray coincidence. In total, 38 new γ-ray transitions were observed in 163 Tb from 15 newly identified levels and 12 previously identified levels. Potential energy surface calculations were performed which support a rigid prolate deformation. Previously identified unplaced transitions in 163 Tb have been placed within the level scheme of 163 Tb and additional states and transitions have been identified.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Microstructure Evolution of U–Zr System in A Thermal Cycling Neutron Diffraction Experiment: Extruded U–10Zr (wt. %)

Microstructure evolution of 1073 K extruded U–10Zr (wt. %) fuel during thermal cycling (303–1073 K with a ~9 hour hold at 873 K during cooling) was investigated using in situ neutron diffraction. Analysis was performed using Rietveld texture and crystal structure refinements from time–of–flight neutron diffraction data, with a focus on the evolution of textures and lattice parameters as a function of temperature. The α–U phase exhibits lattice contraction with increasing temperature along the b lattice direction and lattice expansion in the other directions while the other phases exhibit lattice expansion with temperature in all directions. Contrary to the established phase diagram, the β–U phase is absent at the temperatures of the thermal cycling. (001) α and (110) γ plane normals are observed with a strong preferred orientation along the extrusion direction. Finally, the variant selection of (001) α ||(110) γ is observed for the first time.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Analysis of the Structure of Heavy Ion Irradiated LaFeO 3 Using Grazing Angle X-ray Absorption Spectroscopy

Crystalline ceramics are candidate materials for the immobilization of radionuclides, particularly transuranics (such as U, Pu, and Am), arising from the nuclear fuel cycle. Due to the α-decay of transuranics and the associated recoil of the parent nucleus, crystalline materials may eventually be rendered amorphous through changes to the crystal lattice caused by these recoil events. Previous work has shown irradiation of titanate-based ceramics to change the local cation environment significantly, particularly in the case of Ti which was shown to change from 6- to 5-fold coordination. Here, this work expands the Ti-based study to investigate the behavior in Fe-based materials, using LaFeO 3 as an example material. Irradiation was simulated by heavy ion implantation of the bulk LaFeO 3 ceramic, with the resulting amorphous layer characterized with grazing angle X-ray absorption spectroscopy (GA-XAS). Insights into the Fe speciation changes exhibited by the amorphized surface layer were provided through quantitative analysis, including pre-edge analysis, and modeling of the extended X-ray absorption fine structure (EXAFS), of the GA-XAS data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Control And Optimization Modular Modeling Application For Nuclear Deployment

The purpose of the COMMAND code is to provide a flexible, scalable tool for use in developing, integrating, and testing the technologies necessary for achieving autonomous operations of advanced nuclear reactors. The code enables users to efficiently implement custom simulations and experiments by combining key methods from different software modules. These modules are focused on: modeling and simulation tools, such as nuclear simulation tools used for high-fidelity modeling (e.g., Reactor Excursion and Leak Analysis Program [RELAP5-3D] and Monte Carlo N-Particle [MCNP]); machine learning and optimization tools (e.g., anomaly detection and data-driven modeling techniques); advanced control in its digital, high-performance, and supervisory control forms (e.g., proportional integral derivative (PID) control and model predictive control (MPC); and integration with hardware through industrial communication protocols. To ensure flexibility and scalability, COMMAND was designed to be both modular—the software “pieces” all inherit from generic building blocks and can be combined and connected to create complicated simulations—and high performing—designed for parallel processing, enabling simulations and experiments to take advantage of multi-core computers, servers, and nodes. The code is written in the Python programming language due to the language's popularity, active community, and open-source and cross-platform nature. Maintaining consistency with other simulation tools used within the nuclear energy community, users implement simulations and experiments through text input files, which define components, parameters, connections, etc., through lines of text. Given that COMMAND is written in Python, these input files are native Python scripts, and so use the standard Python structure and formatting. This also enables users to take advantage of Python's extensive package library to develop custom capabilities for their specific use cases.

Faber, Jacob [Idaho National Laboratory (INL), Ida↗

Guidelines for Broadband Seismometer Testing

The Comprehensive Nuclear-Test-Ban Treaty mandates the four verification technologies to be used by the International Monitoring System (IMS) to monitor compliance to the Treaty. These technologies are seismic, hydroacoustic, infrasound, and radionuclide. Operational manuals for each of these technologies specify the requirements that equipment installed at IMS stations must meet for data from said stations to be accepted by the International Data Center. Following a model in which a revised set of infrasound sensor specifications and accompanying test procedures were developed in an international collaboration overseen by the Comprehensive Nuclear-Test-Ban Treaty Organization, the same process was recently followed for seismometers potentially of use by the IMS. This document, a product of that collaboration, defines key concepts and recommends test procedures to be followed to characterize broadband seismometers in a consistent and standardized way. Results from these test procedures can be used to verify that a seismometer meets the manufacturers stated specifications and IMS requirements. ACKNOWLEDGEMENTS The writers of this document would like to acknowledge Charles R. Hutt, John R. Evans, Fred Followill, Robert L. Nigbor, and Erhard Wielandt, the authors of the 2009 Guidelines for Standardized Testing of Broadband Seismometers and Accelerometers funded by the U.S. Department of Interior, on which this document is based. Although this document is limited in scope to seismometers and much of the document has been updated, the structure remains essentially the same.

58 GEOSCIENCES↗

Unraveling the Molecular Origin of Prey-Wrapping Spider Silk's Unique Mechanical Properties and Assembly Process Using NMR

Prey wrapping spider silk's unique mechanical properties are investigated confirming the silk's high degree of extensibility and superior toughness compared to other types of spider silk. For the first time, the pre-spinning dope phase is studied in isotope-enriched intact aciniform (AC) silk glands using solution NMR that reveals a combination of α-helical domains linked by disordered random coil chains consistent with previously proposed “beads-on-a-string” models. The model is further refined through the AlphaFold2 protein structure prediction tool. Finally, extensive magic angle spinning (MAS) solid-state (SS) NMR data for isotopically-enriched fibers is used to refine the structural model for AC silk from two species, A. aurantia and A. argentata. The SSNMR data shows that the AC silk fibers are highly α-helical, coiled-coil in structure but, also exhibit significant β-sheet components that can be traced back to the Gly-rich disordered linker regions in the pre-spinning dope phase that are converted to β-sheet structures during fiber formation. This combination of mechanical and structural characterization enhances the understanding of AC silk's liquid-to-solid transition and structure-mechanics relationship. In conclusion, these prey wrap silk results and models will provide the basis for the design of biomimetic materials inspired by the AC spider silk system.

36 MATERIALS SCIENCE↗

Integration of a Wigner effect-based energy storage system with an advanced nuclear reactor

In this work, an innovative energy storage concept based on the purposeful creation of defects in crystalline material by neutron irradiation is presented. Lattice defects are generated when heavy particles collide with the atoms in a crystal structure, i.e., if the incoming particles have enough energy, recoil atoms are displaced from their initial lattice sites. Most of the displaced atoms will eventually combine with nearby vacancies, but some of them will come to rest in non-ideal locations. The energy held by displaced atoms is called Wigner energy. Lattice defects can migrate and form clusters, and the Wigner energy can be released from these groupings if sufficient activation energy is provided. In the nuclear industry, this effect is well-known since it represented an issue for graphite-moderated reactors. This work presents the conceptual design of an engineering system that exploits this physical process to store the energy of neutrons in advanced reactor concepts. In the first part of the paper, the theoretical performance of an energy storage system based on the Wigner effect is described. Given the lattice properties and the compatibility with the harsh reactor environment, graphite was selected as the candidate material for the irradiation targets. Both experimental data and molecular dynamics simulations confirmed that this system can achieve performance comparable with state-of-the-art batteries in terms of stored energy density. In the second part of the paper, the engineering challenges of this innovative technology and the proposed solutions are described. After defining the optimal irradiation conditions, the different steps of the operation of the proposed energy system (from energy storing to energy harvesting) were defined. Finally, the integration of this concept with advanced reactor designs, i.e., a Sodium-cooled Fast Reactor and a Molten Salt-cooled Reactor, was investigated and the corresponding performance was evaluated.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Anomalous X-Ray Scattering and Extended X-Ray Absorption Fine Structure Study of the Local Structure of CrFeCoNiMo x (x = 0.11, 0.18, and 0.23) High-Entropy Alloys

Anomalous x-ray scattering (AXS) and extended x-ray absorption fine structure (EXAFS) were used to determine the local structure of Mo in CrFeCoNiMo x (x = 0.11, 0.18, and 0.23), a high-entropy alloy with a face-centered cubic (FCC) lattice. No superlattice peaks were observed down to the 10 -4 intensity level. This observation along with the nearly constant decrease of the FCC diffraction peaks above the Mo K absorption edge suggests that Mo atoms have no preferred site occupancy in the FCC lattice. Modeling of the EXAFS data suggests a local chemical order in CrFeCoNiMo x , where in Mo-rich samples (e.g., x = 0.23), Mo atoms are preferably surrounded by lighter atoms, such as Cr.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Post-closure Nuclear Criticality Safety Evaluations for Disposition of Criticality Control Overpacks at the Waste Isolation Pilot Plant

The Waste Isolation Pilot Plant (WIPP) is a geological repository in southern New Mexico that provides for disposal of transuranic (TRU) wastes from atomic energy defense activities. The Sandia National Laboratories (Sandia) Report, Consideration of Nuclear Criticality When Disposing of Transuranic Waste at the Waste Isolation Pilot Plant, addresses nuclear criticality safety based on the projected inventory characteristics for the initial compliance certification application of WIPP in 1996. As the inventory, waste forms, and disposal package designs change, revised or new analyses are necessary to demonstrate acceptability for these configurations within the WIPP safety basis and compliance with 10,000-year post-closure standards of the US Environmental Protection Agency (EPA). Saylor and Scaglione evaluated criticality control overpacks (CCOs) in 2017 based on conservative assumptions for post-closure repository structural conditions with resulting effects on containers and container spacing, The Saylor and Scaglione evaluation of CCOs addressed a single waste configuration that represents the Surplus Plutonium Disposition Program’s dilute and dispose waste form and composition. This initial CCO study demonstrated that 50 grams of boron carbide (B 4 C) per CCO is sufficient to ensure post-closure criticality safety based on a well-mixed waste composition, and Oak Ridge National Laboratory (ORNL) subsequently determined that this amount of B 4 C does not require constraints on moisture or plastic present as moderator. The Saylor and Scaglione analysis conservatively assumes repository room closure that eliminates all space between fissile gram equivalent (FGE) 239 Pu masses. The close-packed array was selected based on limited availability of repository salt creep modeling results at that time. In 2019, Brickner provided additional evaluations for pipe overpack containers (POCs), building on the conservative basis provided by Saylor and Scaglione. Brickner’s 2019 analysis made use of new geomechanical data for post-closure spacing that rely on advances in repository modeling as documented in the work by Reedlunn and Bean. This current CCO evaluation for generic waste materials expands on earlier work performed at ORNL and includes evaluation of CCOs across a much broader range of possible waste compositions and geometries. This evaluation is intended to provide input for the required feature, event and process (FEP) screening to determine if post-closure criticality must be included as an event in the 10,000-year regulatory evaluation. As such, the approach to modeling post-closure criticality presented in this report has been coordinated with the Sandia team responsible for FEP screening. The resulting analysis supports disposition of fissile materials in the CCO containing up to 380 FGE 239 Pu and expands conditions acceptable for disposal of fissile material in CCOs. This evaluation builds on the methodology of Saylor and Scaglione and Brickner, using the most recently available geomechanical data for CCO spacing under salt creep compaction scenarios provided by Reedlunn and Bean. The broad range of fissile material configurations analyzed in this report are intended to account for configurations that may occur during the post-closure disposal time period, and it also includes waste configurations that are not physically possible to support analysis of conditions that influence neutron fluence.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Longitudinal form Factors of A ≤ 10 Nuclei in a Chiral Effective Field Theory Approach

Here, in this work, we present the elastic electron scattering longitudinal form factors of A ≤ 10 nuclei computed in a variational Monte Carlo approach. We employ the Norfolk family of local chiral interactions and a consistent electromagnetic charge operator. Our calculations are compared both to data and past theoretical evaluations. This work represents, to our knowledge, the first accurate calculation of longitudinal form factors using manybody methods based on interacting nucleon degrees of freedom in the 7 ≤ A ≤ 10 mass range. Finally, we identify 9 Be and 10 B as candidate targets for renewed experimental interest, as they exhibit the potential to provide more stringent constraints on the theoretical models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Modeling fission product diffusion in TRISO fuel particles with BISON

Diffusion of fission products in intact TRISO particles depends on particle geometry, fission product source rates, time, temperature, and temperature-dependent diffusion coefficients. Simulating this diffusion process requires models for source rates and diffusion coefficients, plus computation of the temperature field if not prescribed. In addition, simulation quality depends on discretization of the geometry, appropriate time stepping, and the accuracy of the solution method. In this paper, we explore the simulation of fission product diffusion in TRISO fuel particles using the finite element method via the fuel performance code Bison. Recent material model development has occurred in Bison for each material present in tri-structural isotropic (TRISO) fuel particles: the buffer, inner pyrolytic carbon, silicon carbide, and outer pyrolytic carbon layers, as well as the fuel kernel. Also, new mesh generation and fission product release fraction capabilities have been added. Diffusion capabilities are shown to converge to the correct solution via formal verification tests. A large number of code benchmarking problems are also given, with good results, showing that Bison’s computed release fractions closely match those of other software tools. Finally, a significant validation effort is detailed in which fission product release, measured as part of the AGR-1 capsule experiments, is compared to Bison outputs. Bison outputs compare very well to the experimental data and to PARFUME results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Decoding the Pair Distribution Function of Uranium in Molten Fluoride Salts from X-Ray Absorption Spectroscopy Data by Machine Learning

Thermal properties of actinides in molten salts are linked to the strongly disordered local environment of actinide ions. Here, we illustrate both the limitations of the commonly used fitting method for analysis of extended X-ray absorption fine structure (EXAFS) spectra in molten UF 4 and a possible solution using an "objective neural network - EXAFS" (ONNE) method. ONNE provides both extraction of the pair distribution function, as validated by its application to the EXAFS spectra calculated on molecular dynamics trajectory, and the EXAFS data reconstruction. The ONNE analysis of the molten UF4 has revealed reduction of the first nearest neighbor U-F coordination number, expansion of the U-F bond length and smaller contribution to the second shell compared to its crystalline counterpart. This method is therefore an attractive alternative to conventional EXAFS analysis and molecular dynamics simulations for studies of disordered environment of actinides in molten salts.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Cold-cap structure in a slurry-fed electric melter

We report as glass batch is charged into an electric melter, a cold cap forms on the glass melt surface. Heat transfer to the cold cap from the molten glass below and the melter atmosphere above determines the melting rate. A mathematical model of the cold cap and the experimental kinetic data of the feed-to-glass conversion that were collected for several simulated low-activity and high-level waste melter feeds allowed us to develop relationships between the internal structure of the cold cap, its properties, its thickness, and the internal heat transfer. This contribution shows the distribution of major crystalline phases and the cumulative evolution of gases within the cold cap. It also examines the temperature, conversion degree, and heating rate the melter feed is experiencing during the passage through the cold cap and their effects on the cold-cap bottom temperature and morphology, which are important for the computational fluid dynamics simulations of melters.

36 MATERIALS SCIENCE↗

Performing Numerical Analysis of Cybersecurity Options Using Dynamic Risk Analysis Tool EMRALD

Cyberattacks can have many different attack paths, durations, and goals. There are also many different mitigation options involving hardware, software, and/or humans. Considering a cyber threat should involve defense-in-depth methods and a quantitative or numerical evaluation of overall effectiveness against dynamic, time-dependent attacks to make cost and risk-informed decisions. Typical cyberattack modeling methods only provide a qualitative evaluation. The main areas of cybersecurity are confidentiality, integrity, and availability. For companies with cyber-physical systems such as advanced nuclear reactors, cyber-related safety is a requirement set by North American Electric Reliability and the U.S. Nuclear Regulatory Commission. They are also concerned about availability or reliability as a business case. As cyber threats are evolving to a business-for-hire structure, more attacks may focus on disrupting business success and reliability, causing financial and economic stability risk. Companies want to know business reliability and recovery from those threats, and that requires modeling physical behavior of the targets. Dynamic-state-based and Markov-based modeling provides a method for better cyber scenario modeling with different tools having issues such as state-base explosion. Dynamic modeling enables time and conditional features not found in other numerical evaluation methods. EMRALD (Event Modeling Risk Assessment using Lined Diagrams) is a dynamic risk analysis modeling and simulation tool and has features that reduce modeling issues. It has been used to model different time-dependent events including plant behavior and operator procedures. As a general modeling tool, EMRALD can also be used to model cyberattack scenarios with varying mitigation options and quantify effectiveness, producing numerical data for risk-informed decisions. This paper uses EMRALD to demonstrate that dynamic numerical risk analysis can be used for cyber threat modeling to provide insights for design decision-making and optimize defense strategies. Keywords: cyber modeling; cyber-physical systems; numerical cyber modeling

97 - MATHEMATICS AND COMPUTING↗

Inferring Structural Parameters of Low-Surface-Brightness-Galaxies with Uncertainty Quantification using Bayesian Neural Networks

Measuring the structural parameters (size, total brightness, light concentration, etc.) of galaxies is a significant first step towards a quantitative description of different galaxy populations. In this work, we demonstrate that a Bayesian Neural Network (BNN) can be used for the inference, with uncertainty quantification, of such morphological parameters from simulated low-surface-brightness galaxy images. Compared to traditional profile-fitting methods, we show that the uncertainties obtained using BNNs are comparable in magnitude, well-calibrated, and the point estimates of the parameters are closer to the true values. Our method is also significantly faster, which is very important with the advent of the era of large galaxy surveys and big data in astrophysics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗