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Westinghouse waste simulation and optimization software tool

Applications for dynamic simulation can be found in virtually all areas of process engineering. The tangible benefits of using dynamic simulation can be seen in tighter design, smoother start-ups and optimized operation. Thus, proper implementation of dynamic simulation can deliver substantial benefits. These benefits are typically derived from improved process understanding. Simulation gives confidence in evidence based decisions and enables users to try out lots of 'what if' scenarios until one is sure that a decision is the right one. In radioactive waste treatment tasks different kinds of waste with different volumes and properties have to be treated, e.g. from NPP operation or D and D activities. Finding a commercially and technically optimized waste treatment concept is a time consuming and difficult task. The Westinghouse Waste Simulation and Optimization Software Tool will enable the user to quickly generate reliable simulation models of various process applications based on equipment modules. These modules can be built with ease and be integrated into the simulation model. This capability ensures that this tool is applicable to typical waste treatment tasks. The identified waste streams and the selected treatment methods are the basis of the simulation and optimization software. After implementing suitable equipment data into the model, process requirements and waste treatment data are fed into the simulation to finally generate primary simulation results. A sensitivity analysis of automated optimization features of the software generates the lowest possible lifecycle cost for the simulated waste stream. In combination with proven waste management equipments and integrated waste management solutions, this tool provides reliable qualitative results that lead to an effective planning and minimizes the total project planning risk of any waste management activity. It is thus the ideal tool for designing a waste treatment facility in an optimum manner, taking account of the detailed waste stream and specific requirements. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Creep-fatigue Behavior and Damage Accumulation of a Candidate Structural Material for Concentrating Solar Power Solar Thermal Receiver (Final Technical Report)

Creep-fatigue deformation is an important consideration for a thermal receiver in Concentrating Solar Power systems due to the constant static stress or pressure, diurnal cycling, and elevated service temperatures required for efficient operation. An accurate description of the creep-fatigue behavior, not available for five of the six candidate materials, is important for assessment of preliminary designs. This project has provided a detailed analysis of the creep-fatigue behavior and damage accumulation of Alloy 740H, a candidate structural material for a CSP solar thermal receiver to address a critical knowledge barrier for receiver designs identified in the CSP Gen3 Demonstration Roadmap. This project was divided in to three tasks, split between two general categories: Experimental and design methodology. Tasks 1 and 3, relating to the collection of data on Alloy 740H plate and sheet forms, respectively, were performed at the Idaho National Laboratory and used as input to Task 2, the development of design methodology performed at Argonne National Laboratory. Experimental work covered limited tensile and creep testing to fill gaps in available data that is currently available and to demonstrate how the plate of Alloy 740H tested in this work compared to historical data. A more substantial testing program for fatigue and creep-fatigue was performed, with particular emphasis on creep-fatigue as there is little available data and it is necessary to understand the creep-fatigue interaction and develop related design models. This effort includes the development of rules for the design of solar receiver components against high temperature creep-fatigue and ratcheting failure modes. The ASME Code rules for high temperature nuclear components was used to the basis of the method but adjustments will be made to reflect the generally shorter, diurnal operating cycles of thermal receivers and the relative consequences of failure, comparing nuclear to solar components. This work has provided guidance for the design of components for concentrating power facilities operating at high temperatures and undergoing high, secondary thermal stresses relative to the applied primary pressure stress. The design rules were developed for the design of Generation 3 CSP tubular receivers manufactured from Alloy 740H, but are generally applicable to a wide range of component types undergoing similar loads. Procedural design rules for components to be used in conjunction with the 2019 edition of the ASME Boiler & Pressure Vessel Code and the corresponding design data for Alloy 740H have been developed. A commentary describing the rationale behind the design rules and the data underlying the design material properties, as well as an extensive set of worked sample problems detailing the application of the rules to CSP components were developed as a part of this project, with a separate report covering these aspects in detail and included in the Appendix of this report.

14 SOLAR ENERGY↗

FY21 Report on Activities for EBS International

This report summarizes the FY21 Activities for EBS International Collaborations Work Package. The international collaborations work packages aim to leverage knowledge, expertise, and tools from the international nuclear waste community, as deemed relevant according to SFWST “roadmap” priorities. This report describes research and development (R&D) activities conducted during fiscal year 2021(FY21) specifically related to the Engineered Barrier System (EBS) R&D Work Package in the Spent Fuel and Waste Science and Technology (SFWST) Campaign supported by the United States (U.S.) Department of Energy (DOE). It fulfills the SFWST Campaign deliverable M4SF- 21SN010308062. The R&D activities described in this report focus on understanding EBS component evolution and interactions within the EBS, as well as interactions between the host media and the EBS. A primary goal is to advance the development of process models that can be implemented directly within the Generic Disposal System Analysis (GDSA) platform or that can contribute to the safety case in some manner such as building confidence, providing further insight into the processes being modeled, establishing better constraints on barrier performance, etc. Sandia National Laboratories is participating in THM modeling in the international projects EBS Task Force and DECOVALEX 2023. EBS Task Force, Task 11 is on modeling of laboratory-scale High Temperature Column Test conducted at Lawrence Berkeley National Laboratory. DECOVALEX 2023, Task C is on THM modeling of the full-scale emplacement experiment (FE experiment) at the Mont Terri Underground Rock Laboratory, Switzerland. This report summarizes Sandia’s progress in the modeling studies of DECOVALEX 2023, Task C. Modeling studies related to the High Temperature Column Test will be documented in future reports.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Scaling Spectroradiometric Monitoring to an Algal Factory Farm

This report briefly summarizes the spectroradiometric approach adapted and deployed as part of Task 4.2 within the BETO-funded D evelopment of I ntegrated S creening, C ultivar O ptimization, and V erification R esearch (DISCOVR) project, specifically task 4, “Increase crop protection and culture stability.” The goals of this subtask were to monitor ponds cultivating a variety of DISCOVR strains at the Arizona Center for Algae Technology and Innovation (AzCATI) with spectroradiometric technology to: • Predict biomass concentrations with high temporal frequency. • Optimize automated analysis methods that enabled feedback for pond automation strategies • Identify pond crash indicators from primary (pest/predator) and indirect (change in algal host) spectroscopic signals with potential for early treatment/intervention • Provide recommendations for technology deployment at scale. This report fulfills the deliverable requirement for the final bullet “provide recommendations for technology deployment at scale”.

09 BIOMASS FUELS↗

Optimizing Neutrino Flavor Conversion Measurements through Machine Learning

The phenomenon of neutrino flavor conversion whereby the flavor of a neutrino particle can change between its time of production and later detection was the first definitive evidence of physics beyond the Standard Model. Some of the oscillation parameters used to describe this conversion are not yet well measured, leaving important questions still open regarding flavor conversion both in vacuum and as neutrinos travel through matter. NOvA is a long-baseline neutrino oscillation experiment that uses Fermilab's predominantly $\nu_\mu$ NuMI beam. A 14 kton oil-based liquid scintillator far detector 810 km away is used to measure neutrino oscillation through the $\nu_\mu$ disappearance and $\nu_e$ appearance channels. Super-K is a 50 kton water Cherenkov detector, which measures the disappearance of $\nu_e$ produced during solar fusion. The high density environment of the sun decreases the $\nu_e$ survival probability at higher energies observable in Super-K compared to the vacuum-dominated oscillations at lower energies. However, the transition region is overshadowed by radioactive background in the detector. In both of these experiments, the separation of neutrino detection events from background and classification of neutrino flavor are crucial tasks that benefit from the introduction of machine learning. Chapter 1 gives an overview of neutrinos and the context under which flavor conversion is measured in this dissertation. Chapters 2-7 present the results of a Bayesian sampling approach for the latest NOvA 3-flavor oscillation analysis with $26.6 \times 10^{20}$ protons on target in neutrino mode and $12.5 \times 10^{20}$ in antineutrino mode collected over 10 years. Chapters 8-13 present the results of extending the Super-K solar analysis to lower energies during its fourth phase with 2970 days of livetime.

Yankelevich, Alejandro Jaime [UC, Irvine]↗

Optimizing Neutrino Flavor Conversion Measurements through Machine Learning

The phenomenon of neutrino flavor conversion whereby the flavor of a neutrino particle can change between its time of production and later detection was the first definitive evidence of physics beyond the Standard Model. Some of the oscillation parameters used to describe this conversion are not yet well measured, leaving important questions still open regarding flavor conversion both in vacuum and as neutrinos travel through matter. NOvA is a long-baseline neutrino oscillation experiment that uses Fermilab's predominantly $\nu_\mu$ NuMI beam. A 14 kton oil-based liquid scintillator far detector 810 km away is used to measure neutrino oscillation through the $\nu_\mu$ disappearance and $\nu_e$ appearance channels. Super-K is a 50 kton water Cherenkov detector, which measures the disappearance of $\nu_e$ produced during solar fusion. The high density environment of the sun decreases the $\nu_e$ survival probability at higher energies observable in Super-K compared to the vacuum-dominated oscillations at lower energies. However, the transition region is overshadowed by radioactive background in the detector. In both of these experiments, the separation of neutrino detection events from background and classification of neutrino flavor are crucial tasks that benefit from the introduction of machine learning. Chapter 1 gives an overview of neutrinos and the context under which flavor conversion is measured in this dissertation. Chapters 2-7 present the results of a Bayesian sampling approach for the latest NOvA 3-flavor oscillation analysis with $26.6 \times 10^{20}$ protons on target in neutrino mode and $12.5 \times 10^{20}$ in antineutrino mode collected over 10 years. Chapters 8-13 present the results of extending the Super-K solar analysis to lower energies during its fourth phase with 2970 days of livetime.

Yankelevich, Alejandro Jaime [UC, Irvine]↗

Optimizing Neutrino Flavor Conversion Measurements through Machine Learning

The phenomenon of neutrino flavor conversion whereby the flavor of a neutrino particle can change between its time of production and later detection was the first definitive evidence of physics beyond the Standard Model. Some of the oscillation parameters used to describe this conversion are not yet well measured, leaving important questions still open regarding flavor conversion both in vacuum and as neutrinos travel through matter. NOvA is a long-baseline neutrino oscillation experiment that uses Fermilab's predominantly $\nu_\mu$ NuMI beam. A 14 kton oil-based liquid scintillator far detector 810 km away is used to measure neutrino oscillation through the $\nu_\mu$ disappearance and $\nu_e$ appearance channels. Super-K is a 50 kton water Cherenkov detector, which measures the disappearance of $\nu_e$ produced during solar fusion. The high density environment of the sun decreases the $\nu_e$ survival probability at higher energies observable in Super-K compared to the vacuum-dominated oscillations at lower energies. However, the transition region is overshadowed by radioactive background in the detector. In both of these experiments, the separation of neutrino detection events from background and classification of neutrino flavor are crucial tasks that benefit from the introduction of machine learning. Chapter 1 gives an overview of neutrinos and the context under which flavor conversion is measured in this dissertation. Chapters 2-7 present the results of a Bayesian sampling approach for the latest NOvA 3-flavor oscillation analysis with $26.6 \times 10^{20}$ protons on target in neutrino mode and $12.5 \times 10^{20}$ in antineutrino mode collected over 10 years. Chapters 8-13 present the results of extending the Super-K solar analysis to lower energies during its fourth phase with 2970 days of livetime.

Yankelevich, Alejandro Jaime [UC, Irvine] (ORCID:0↗

Using Host Galaxy Photometric Redshifts to Improve Cosmological Constraints with Type Ia Supernovae in the LSST Era

We perform a rigorous cosmology analysis on simulated Type Ia supernovae (SNe Ia) and evaluate the improvement from including photometric host galaxy redshifts compared to using only the "z spec " subset with spectroscopic redshifts from the host or SN. We use the Deep Drilling Fields (~50 deg 2 ) from the Photometric LSST Astronomical Time-Series Classification Challenge (PLAsTiCC) in combination with a low-z sample based on Data Challenge2. The analysis includes light-curve fitting to standardize the SN brightness, a high-statistics simulation to obtain a bias-corrected Hubble diagram, a statistical+systematics covariance matrix including calibration and photo-z uncertainties, and cosmology fitting with a prior from the cosmic microwave background. Compared to using the z spec subset, including events with SN+host photo-z results in (i) more precise distances for z > 0.5, (ii) a Hubble diagram that extends 0.3 further in redshift, and (iii) a 50% increase in the Dark Energy Task Force figure of merit (FoM) based on the w 0 w a CDM model. Analyzing 25 simulated data samples, the average bias on w 0 and w a is consistent with zero. The host photo-z systematic of 0.01 reduces FoM by only 2% because (i) most z < 0.5 events are in the z spec subset, (ii) the combined SN+host photo-z has ×2 smaller bias, and (iii) the anticorrelation between fitted redshift and color self-corrects distance errors. To prepare for analyzing real data, the next SN Ia cosmology analysis with photo-zs should include non–SN Ia contamination and host galaxy misassociations.

79 ASTRONOMY AND ASTROPHYSICS↗

ON THE ESTIMATION OF RANDOM UNCERTAINTIES OF STAR FORMATION HISTORIES

The standard technique for measurement of random uncertainties of star formation histories (SFHs) is the bootstrap Monte Carlo, in which the color-magnitude diagram (CMD) is repeatedly resampled. The variation in SFHs measured from the resampled CMDs is assumed to represent the random uncertainty in the SFH measured from the original data. However, this technique systematically and significantly underestimates the uncertainties for times in which the measured star formation rate is low or zero, leading to overly (and incorrectly) high confidence in that measurement. This study proposes an alternative technique, the Markov Chain Monte Carlo (MCMC), which samples the probability distribution of the parameters used in the original solution to directly estimate confidence intervals. While the most commonly used MCMC algorithms are incapable of adequately sampling a probability distribution that can involve thousands of highly correlated dimensions, the Hybrid Monte Carlo algorithm is shown to be extremely effective and efficient for this particular task. Several implementation details, such as the handling of implicit priors created by parameterization of the SFH, are discussed in detail.

79 ASTRONOMY AND ASTROPHYSICS↗

Assessment of calcium addition on the removal of U(VI) in the alkaline conditions created by NH3 gas

Remediation of uranium (U) contamination in the deep vadose zone (VZ) sediments abundant in calcite mineral is a challenging task considering the formation of highly stable and mobile uranyl complexes with carbonate and calcium in pore water composition. There is a concern that uranium contamination in the VZ can serve as a continued source for groundwater pollution, creating a risk to human health and the environment through the groundwater pathway. This requires in-situ remediation of the radionuclide-contaminated VZ to convert soluble U species to low solubility precipitates that are stable in the natural environment. Injection of reactive gasses (e.g., NH3) is a promising technology to decrease U mobility in the unsaturated zone without the addition of liquid amendments. The NH3 injection creates alkaline conditions that can alter the sediment pore water composition due to a release of elements from minerals (via desorption and dissolution) that are present in the sediment. However, it is not known how VZ pore water constituents (Si, Al3+, HCO3 -, and Ca2 +) would affect U(VI) removal/precipitation in alkaline conditions. This study quantified the role of major pore water constituents typically present in the arid and semi-arid environments of the western regions of the U.S and identified solid uranium-bearing phases that could potentially precipitate from solutions approximating pore water compositions after pH manipulations via ammonia gas injections. Triplicate samples were prepared using six Si (5, 50 100, 150, 200, and 250 mM), six HCO3 - (0, 3, 25, 50, 75, and 100 mM), and two Ca2+ (5 and 10 mM) concentrations. The concentration of aluminum and uranium was kept constant at 5mM and 0.0084 mM, respectively, in all synthetic formulations tested. Results showed that the percentage of U(VI) removal was controlled by the Si/Al molar ratios and Ca2+ concentrations. Regardless of the bicarbonate concentration tested, the percentage of U(VI) removed increased as the Si/Al ratios were increased. However, higher Ca concentrations correlated with higher U(VI) removal, ranging between 96% and 99%, at low Si/Al ratios. The SEM images of dried precipitates displayed dense amorphous regions high in silica content, where EDS elemental analysis unveiled higher U atomic percentages. The formation of uranyl silicate and carbonate minerals was also predicted by the speciation modeling. XRD analysis revealed the presence of uranyl carbonate mineral phases (andersonite, grimselite); however, uranyl silicates predicted (Naboltwoodite) were not identified experimentally, possibly due to the amorphous nature of the silica solid phases observed in our experiments.

Katsenovich, Yelena↗

Analysis of Data Fusion Between Waveform Events and Radionuclide Detections Reported in 2021 by the International Data Centre

During this project, we assessed the percentage of events reported by the International Data Centre (IDC) that are candidates for evaluation using data fusion methods. We calculated the percentage of waveform (seismic, hydroacoustic, infrasound, SHI) events that may be associated with radionuclide (RN) detections and vice versa. For this task, data fusion means identifying RN detections that may be associated with SHI events. The task of producing a fused SHI and RN bulletin is included in the IDC operational manual. As of 2022, the production of a fused event bulletin remains incomplete, largely because methods for producing the bulletin are under development. Nonetheless, simple methods for data fusion have been developed and preliminary software tools are available at the IDC to associate SHI events and RN detections. This report is a first look at the percentage of SHI events that may be candidates for fusion with RN detections or bulletins. One year of IDC bulletin data (2021) is considered in this report. It is important to note that there were no known nuclear explosions during this time period. Hence, we expect that events during this time period would generate SHI and RN signals. If many SHI events are candidates for fusion with RN data, greater priority should be placed on establishing screening procedures before and/or during the fusion process. By contrast, if the number of candidate events is diminishingly small, then data fusion is not a driver for further development of event or detection screening at the IDC. LLNL reviewed the events reported in the Standard Event Bulletin (SEB) and determined which events are candidates for fusion with the Reviewed Radionuclide Reports (RRR). Much of the work involves establishing a metric or metrics for determining whether a Reviewed Event Bulletin (REB) event is a candidate for data fusion.

58 GEOSCIENCES↗

TECA: Petascale pattern recognition for climate science

Climate Change is one of the most pressing challenges facing humanity in the 21st century. Climate simulations provide us with a unique opportunity to examine effects of anthropogenic emissions. Highresolution climate simulations produce “Big Data”: contemporary climate archives are ≈ 5PB in size and we expect future archives to measure on the order of Exa-Bytes. In this work, we present the successful application of TECA (Toolkit for Extreme Climate Analysis) framework, for extracting extreme weather patterns such as Tropical Cyclones, Atmospheric Rivers and Extra-Tropical Cyclones from TB-sized simulation datasets. TECA has been run at full-scale on Cray XE6 and IBM BG/Q systems, and has reduced the runtime for pattern detection tasks from years to hours. TECA has been utilized to evaluate the performance of various computational models in reproducing the statistics of extreme weather events, and for characterizing the change in frequency of storm systems in the future.

54 ENVIRONMENTAL SCIENCES↗

A hybrid surrogate modeling framework for the Digital Twin of a Fluoride-salt-cooled High-temperature Reactor (FHR)

While nuclear energy is a non-greenhouse-gas emitting energy source, expensive operational costs due to the high-level of safety requirements decreases their competitiveness in the sustainable energy market. Advanced reactor concepts paired with Digital Twins aim to increase the commercialization gains of nuclear energy by reducing operational costs, increasing reactor reliability and enhancing power generation. To support Digital Twin tasks such as real-time autonomous control, proactive maintenance monitoring or optimizing power demand operations, a fast and accurate virtual representation of the Nuclear Power Plant (NPP) is required. The computational cost of high-fidelity, physics-based models are unsuitable for real-time analysis or scalability. Here, in this work, a hybrid surrogate modeling framework is developed fora Fluoride-salt-cooled High-temperature Reactor (FHR) that leverages physics-inspired models for key reactor components and uses data-driven methods for rapid system state space prediction. The Xenon reactivity feedback model is integrated to inform the surrogate model about the reactor core and the homologous pump theory model is the basis for representing pump degradation. Using a detailed, two dimensional thermal hydraulics model to generate data on the FHR, we train a network of Vectorized Autoregressive Moving-Average with eXogenous input (VARMAX) models to predict the remaining state values. The result is a surrogate model that provides a detailed reactor state representation of 41 system states and a pump degradation analysis. The framework is applied to Load Follows profiles, yielding high accuracy and a speedup that is more than 4000x faster compared to the higher- fidelity thermal hydraulics model, enabling real-time operational intelligence and applications in long horizon predictions. While the surrogate model framework is demonstrated for the particular case of FHR, the hybrid physical/data-driven modeling approach including the network of surrogates and the underlying modularity has the potential to be applied to other physical asset systems.

Digital Twins↗

Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields

We present an alternate version of the coupled-coherent-state method, specifically adapted for solving the time-dependent Schroedinger equation for multielectron dynamics in atoms and molecules. This theory takes explicit account of the exchange symmetry of fermion particles, and it uses fermion molecular dynamics to propagate trajectories. As a demonstration, calculations in the He atom are performed using the full Hamiltonian and accurate experimental parameters. Single- and double-ionization yields by 160-fs and 780-nm laser pulses are calculated as a function of field intensity in the range 10{sup 14}-10{sup 16} W/cm{sup 2}, and good agreement with experiments by Walker et al. is obtained. Since this method is trajectory based, mechanistic analysis of the dynamics is straightforward. We also calculate semiclassical momentum distributions for double ionization following 25-fs and 795-nm pulses at 1.5x10{sup 15} W/cm{sup 2}, in order to compare them with the detailed experiments by Rudenko et al. For this more challenging task, full convergence is not achieved. However, major effects such as the fingerlike structures in the momentum distribution are reproduced.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Using a Large Language Model as a Building Block to Generate Usable Validation and Verification Suite for OpenMP

In the HPC area, both hardware and software move quickly. Often new hardware is developed and deployed, the corresponding software stack, including compilers and other tools, are under active development while leading edge software developers are working to port and tune their applications, all at the same time. While the software ecosystem is in flux, one of the key challenges for users is obtaining insight into the state of implementation of key features in the programming languages and models their applications are using – whether they have been implemented, and whether the implementation conforms to the specification, especially for newly implemented features (less tested by widespread use). OpenMP is one of the most prominent shared memory programming models used for on-node programming in HPC. With the shift towards accelerators (such as GPUs and FPGAs) and heterogeneous programming OpenMP features are getting more complex. It is natural to ask whether generative AI approaches, and large language models (LLMs) in particular, can help in producing validation and verification test suites to allow users better and faster insights into the availability and correctness of OpenMP features of interest. In this work, we explore the use of ChatGPT-4 to generate a suite of tests for OpenMP features. We have chosen a set of directives and clauses, a total of 78 combinations, which first appeared in OpenMP 3.0 (released in May 2008) but are also relevant for accelerators. We prompted ChatGPT to generate tests in the C and Fortran languages, for both host (CPU) and device (accelerator). On the Summit super-computer using the GNU implementation, we found that, of the 78 generated tests 67 C tests and 43 Fortran tests compiled successfully and fewer than those executed to completion. On further analysis we show that not all generated tests are valid. We document the process, results, and provide detailed analysis regarding the quality of tests generated. With the aim of providing input to a production quality validation and verification suite, we manually implement the corrections required to make the tests valid according to the current OpenMP specification. We quantify this effort as small, medium, or large, and record the lines of code changed to correct the invalid tests. With the corrected tests we validate recent implementations from HPE, AMD, and GNU on the Frontier supercomputer. Our experiment and subsequent analysis show that although LLMs are capable of producing HPC specific codes, they are limited by their understanding of the deeper semantics and restrictions of programming models such as OpenMP. Unsurprisingly more commonly used features have better support, while some OpenMP 3.0 directives such as sections and tasking are not universally supported on accelerators. We demonstrate that successful compilation and execution to completion are inadequate metrics for evaluating generated code and that, at this time, commodity LLMs require expert intervention for code verification. This points to gaps in the training data that is currently available for HPC. We demonstrate that with "small" effort 37% of generated invalid C tests and 63% of generated invalid Fortran tests could be corrected. This improves productivity of test generation as we circumvent writing from scratch and the common programming errors associated with it.

Pophale, Swaroop [ORNL] (ORCID:0000000185446367)↗

ℤ2 × ℤ2 Equivariant Quantum Neural Networks: Benchmarking against Classical Neural Networks

This paper presents a comparative analysis of the performance of Equivariant Quantum Neural Networks (EQNNs) and Quantum Neural Networks (QNNs), juxtaposed against their classical counterparts: Equivariant Neural Networks (ENNs) and Deep Neural Networks (DNNs). We evaluate the performance of each network with three two-dimensional toy examples for a binary classification task, focusing on model complexity (measured by the number of parameters) and the size of the training dataset. Our results show that the Z2×Z2 EQNN and the QNN provide superior performance for smaller parameter sets and modest training data samples.

Dong, Zhongtian (ORCID:0000000210003454)↗

Progress on Near-Term Tasks for the Development of Advanced Reactor Mechanistic Source Term Modeling and Simulation Tools

To assist both the advanced reactor industry and U.S. Nuclear Regulatory Commission (NRC) in the pursuit of reactor design and licensing, the U.S. Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has established a mechanistic source term (MST) research project under the auspices of the Multiphysics Applications technical area. MST analysis is central to the reactor licensing process and a focus of the NRC regarding their mission to provide reasonable assurance of adequate protection of public health and safety and environment. The MST research project is a collaboration between Argonne National Laboratory (Argonne) and Sandia National Laboratories (SNL) with a high-level objective to coordinate the development of comprehensive advanced reactor MST mod/sim capabilities to support risk-informed design and licensing decisions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

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↗