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DOE OSTI2023

MACCS User Guide (V.4.2)

MACCS is used by the Nuclear Regulatory Commission (NRC) and various national and international organizations for probabilistic consequence analysis of nuclear power accidents. This User Guide is intended to assist analysts in understanding the MACCS/WinMACCS model and to provide information regarding the code. This user guide version describes MACCS Version 4.2. This User Guide provides a brief description of the model history, explains how to set up and execute a problem, and informs the user of the definition of various input parameters and any constraints placed on those parameters. This report is part of a series of reports documenting MACCS. Other reports include the MACCS Theory Manual, MACCS Verification Report, Technical Bases for Consequence Analyses Using MACCS, as well as documentation for preprocessor codes including SecPop, MelMACCS, and COMIDA2.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Sensitivity Analysis of Irradiated Fueled Experiments using the MOOSE Framework [Slides]

Modeling and simulation (M&S) methods are able to predict uncertainties in experimental parameters (e.g., power and fission density) during irradiation. A shortfall exists in predicting how sensitive some of the parameters will behave during the experimental process. Sensitivity and Uncertainty Quantification (SUQ) is critical in support of qualification and licensing reactor fuels. The application of a method to quantify the uncertainty in these experiments is critical to the prediction of their performance. In this work, we propose the use of a polynomial chaos expansion (PCE) method to quantify the sensitive parameters in these simulations and, in an extension, their experimental surrogates. We propose to perform M&S using PCE uncertainty quantification on a previously irradiated fueled experiment in order to provide a validation case for Griffin and expand its use as a verification and validation (V&V) tool for experiments with a neutronics component. Griffin is an advanced, deterministic neutronics analysis code built using the MOOSE (multiphysics object-oriented simulation environment) framework which can provide state-of-the-art neutronic analysis on M&S of experiments. We will use the stochastic tools module (STM) in MOOSE to provide PCE uncertainty quantification on the proposed experimental setup. Idaho National Laboratory (INL) does not yet have an in-house developed code with V&V approval for experiments performed on-site; this work would provide a necessary addition of support for experiments performed at INL. The Nuclear Regulatory Commission (NRC) has explicitly requested uncertainties in calculated values such as fuel power and burnup, and the development of this capability would benefit the relationship between INL and the NRC.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

MACCS (MELCOR Accident Consequence Code System) User Guide -- Version 4.0

The MELCOR Accident Consequence Code System (MACCS) is used by Nuclear Regulatory Commission (NRC) and various national and international organizations for probabilistic consequence analysis of nuclear power accidents. This User Guide is intended to assist analysts in understanding the MACCS/WinMACCS model and to provide information regarding the code. This user guide version describes MACCS Version 4.0. Features that have been added to MACCS in subsequent versions are described in separate documentation. This User Guide provides a brief description of the model history, explains how to set up and execute a problem, and informs the user of the definition of various input parameters and any constraints placed on those parameters. This report is part of a series of reports documenting MACCS. Other reports include the MACCS Theory Manual, MACCS Verification Report, Technical Bases for Consequence Analyses Using MACCS, as well as documentation for preprocessor codes including SecPop, MelMACCS, and COMIDA2.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

MACCS (MELCOR Accident Consequence Code System) User Guide Version 4.0, Revision 1

The MELCOR Accident Consequence Code System (MACCS) is used by Nuclear Regulatory Commission (NRC) and various national and international organizations for probabilistic consequence analysis of nuclear power accidents. This User Guide is intended to assist analysts in understanding the MACCS/WinMACCS model and to provide information regarding the code. This user guide version describes MACCS Version 4.0. Features that have been added to MACCS in subsequent versions are described in separate documentation. This User Guide provides a brief description of the model history, explains how to set up and execute a problem, and informs the user of the definition of various input parameters and any constraints placed on those parameters. This report is part of a series of reports documenting MACCS. Other reports include the MACCS Theory Manual, MACCS Verification Report, Technical Bases for Consequence Analyses Using MACCS, as well as documentation for preprocessor codes including SecPop, MelMACCS, and COMIDA2.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Uncertainty Quantification for Data-Driven Machine Learning Models in Nuclear Engineering Applications: Where We Are and What Do We Need?

Machine learning (ML) has been leveraged to tackle a diverse range of tasks in almost all branches of nuclear engineering. Many of the successes in ML applications can be attributed to the recent performance breakthroughs in deep learning, the growing availability of computational power, data, and easy-to-use ML libraries. However, these empirical successes have often outpaced our formal understanding of the ML algorithms. An important but under-rated area is uncertainty quantification (UQ) of ML. ML-based models are subject to approximation uncertainty when they are used to make predictions, due to sources including but not limited to, data noise, data coverage, extrapolation, imperfect model architecture and the stochastic training process. The goal of this paper is to clearly explain and illustrate the importance of UQ of ML. We will elucidate the differences in the basic concepts of UQ of physics-based models and data-driven ML models. Various sources of uncertainties in physical modeling and data-driven modeling will be discussed, demonstrated, and compared. We will also present and demonstrate a few techniques to quantify the ML prediction uncertainties, including Monte Carlo dropout, deep ensemble, Bayesian neural networks, Gaussian Processes and conformal prediction. Lastly, we will discuss the need for building a verification, validation and UQ framework to establish ML credibility.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

SCALE Modeling of the Fast Spectrum Heat Pipe Reactor

As part of the severe accident analysis collaboration with Sandia National Laboratories (SNL) and the Nuclear Regulatory Commission (NRC), SCALE models were developed for a fast-spectrum heat pipe reactor. These models were based on the Idaho National Laboratory (INL) Design A concept, which is an alternative design to the Los Alamos National Laboratory (LANL) Special Purpose Reactor (SPR), also known as the Megapower reactor. The model contains 1,134 heat pipes, surrounded by hexagonal fuel elements, with a potassium working fluid; the fuel is UO 2 with 19.75 wt% 235 U enrichment. The model contains axial beryllium oxide (BeO) reflectors above and below the active fuel region along with a radial alumina reflector containing 12 B 4 C control drums. The center of the core is left unfueled to make room for two shutdown control rods, one annular and one solid. The active region of the core was discretized into twenty axial and five radial zones to analyze spatial variations in power and burnup. Infinite lattice unit cell sensitivity studies were used to perform verification between the SCALE and INL models. The eigenvalue results agreed well with the reported results to within roughly 50 percent mille (pcm). Full-core model verification was performed by analyzing system eigenvalues with differing configurations of control drum and shutdown rod positions. These full core results all had eigenvalue differences less than 310 pcm. Control drum and shutdown rod worths were also compared, with differences of 3.2% or less. Using the verified model, the isotopic inventory and decay heat, as well as temperature feedback coefficients, were calculated and provided to SNL as input to the MELCOR severe accident code to analyze potential releases from this class of reactor. The results of the MELCOR analysis are provided in a different report.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Requirements and Conceptual Design of Off-gas Systems for the Reprocessing of Metallic Fuels

An assessment has been conducted to determine how key regulations regarding volatile radionuclide emissions to the atmosphere may apply to the off-gas streams associated with electrochemical reprocessing. The scope of this assessment was based upon a generic electrochemical reprocessing scheme with a throughput rate of 200 MTIHM/y applied to metallic fuel discharged from a sodium fast reactor (SFR), but the findings are able to be translated to other advanced nuclear scenarios as merited. Air dispersion modeling was performed using the EPA CAP-88 model and evaluated the uncontrolled decontamination factors (DFs) that would be required to achieve regulatory compliance with the dose-based limits set forth by EPA regulation 40 CFR 190.10(a). These DFs were compared to those required by fuel cycle–based limits set forth by EPA regulation 40 CFR 190.10(b). Two theoretical sites with disparate climatological conditions were selected for air dispersion modeling (Idaho and Tennessee). The radionuclides modeled included 3 H, 85 Kr, 129 I, and selected alpha-emitting transuranic isotopes (referred to here as 239 Pu-TRU <1y ). It was found that the fuel cycle-based limits in 40 CFR 190.10(b) are most restrictive for 85 Kr and 239 Pu-TRU <1y , with DFs of 3 and 6.1E+09, respectively. The dose-based limit as derived from 40 CFR 190.10(a) could require mitigation of tritium in some scenarios, with an estimated DF of about 3 for the reference scenarios. The fuel cycle-based limit for 129 I resulted in a DF of about 240 for the reference scenario. The need for iodine mitigation based on dose to the public depended upon the physical form of iodine as either particulate or vapor-phase species. Emission of iodine from the facility as a vapor necessitated DFs of about 2 but emission as a particulate would require DFs >6,000 to meet thyroid dose-based limits. Effects of physical form on needed iodine mitigation are significant, but the understanding of speciation of iodine both during electrochemical reprocessing and after release to the atmosphere is limited. The electrochemical processing unit operations were evaluated to identify potential release points for the volatile radionuclides and to assess the potential for retention of the radionuclides within the process (thus decreasing the need for mitigation). Mitigation strategies for 3 H, 85 Kr, 129 I, and 239 Pu-TRU <1y were identified. In all cases, there are reasonably achievable pathways to regulatory compliance, although in some cases additional R&D is merited to verify the chemical speciation of these isotopes and to develop and demonstrate potential treatment technologies for this application. Whether or not additional off-gas controls (beyond common operations such as HEPA filtration and oxygen and moisture control) are needed for any of these regulated or volatile radionuclides depends on the (a) type of facility (NRC-regulated or DOE), (b) used fuel process rate, (c) used fuel burnup and composition, (d) speciation and retention of volatile radionuclides in the process and in the cell gas cleanup system, (e) site-specific parameters such as location, meteorology, stack height, and site boundaries, and (f) levels of conservatism and safety factors used in assessing compliance to air emissions regulations. Performance of this assessment revealed several areas where information is lacking or additional research is required in order to better determine if or what kinds of off-gas control might be needed. First, and most significantly, the understanding of the chemical speciation and physical form and partitioning of iodine during electrochemical processing operations is lacking and prevents the ability to accurately assess the potential iodine mitigation requirements. Future research in this area should be multifaceted and include thermodynamic modeling of iodine speciation in different process steps, experiments to quantify the kinetics of vapor-phase and melt-phase transitions, bench-scale experiments to determine the potential chemical and physical form of iodine emissions from the electrorefining process, and verification of iodine behavior with experiments utilizing operational facilities. Similarly, an improved understanding of iodine behavior in the environment after release from the facility stack will be required to refine dose estimations, as particulate and vapor-phase emissions result in significantly different doses to the MEI.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Advancements in Multiphysics Microdepletion Analysis of an eVinci TM -like Microreactor Leveraging OpenMC-CRAB Workflow

Nuclear microreactors (MRs) are a class of nuclear reactor technology, characterized by reduced dimensions, modular design, and reduced power output in contrast to conventional Light Water Reactors (LWRs). MRs are proposed for supplying electricity and eventual process heat to remote locations, such as military installations and disaster-affected areas. Current research work sponsored by the US Department of Energy Microreactor Program (MRP) is devoted to the development of novel modeling and simulation tools to better support MR vendors and regulatory bodies. Notably, the NRC is projected to utilize the CRAB multiphysics software driver for executing both design and beyond-design-basis accident analyses. Furthermore, the NRC has been utilizing the MELCOR code to calculate mechanistic source terms during accidents. Since MELCOR relies on isotopic inventory and reactor temperature/power profiles under accident conditions, which theoretically can be derived from CRAB, the goal is to establish a comprehensive CRAB-MELCOR computational framework. Past work was focused on testing and demonstrating CRAB's capability to generate results that can be used to inform mechanistic source term calculations in MELCOR. In particular, a computational workflow leveraging OpenMC-generated microscopic cross sections and CRAB was first applied to perform multiphysics microscopic depletion calculation followed by an accident scenario for a stylized microreactor problem. In fiscal year 2024, the research work has been focused on applying the OpenMC-CRAB workflow, which was first tested in fiscal year 2023, to a realistic 3D heat-pipe cooled MR problem representative of the eVinci TM design. The latter computational problem was developed with inputs from WEC to conserve selected neutronic and thermal characteristics of the eVinci TM design without releasing proprietary data. The results of this simulation, encompassing isotopic inventory, power density distribution, and kinetic parameters, will inform both MELCOR and the WEC-developed FATE code for mechanistic source terms calculations. The results from the two codes will then be compared for code verification purposes. This report contains the design characteristics of the realist heat pipe cooled microreactor developed as a use-case for the verification exercise, and the current results for the multiphysics microscopic depletion performed with the OpenMC-CRAB workflow. The results include eigenvalue as a function of time, power distribution at EOL, in addition to nuclides inventory's time evolution and spatial distribution. Finally, we report improvements to the workflow efficiency achieved through a collaboration with the NEAMS programs. Through this collaborative effort, we were able to strongly decrease the computational time for the multiphysics microdepletion calculation (i.e., from 17.4 hours to 5.7 hours on 280 processors) in addition to simplifying the interface to generate isotopics spatial distribution utilizable by FATE and MELCOR. Future work, including the improvement of the current microscopic cross-sections' library and the simulation of an accident scenario at EOL, is also discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

NRC Multiphysics Analysis Capability Deployment FY21: Part 3

This report details the progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Support for Advanced Non-Light Water Reactors.” The deliverables completed for this report are: Deliverable 1c: the capability to model gas mixtures was added to Pronghorn. A test problem mimicking the conditions achieved in a depressurized loss of forced cooling (DLOFC) event was solved with both RELAP-5 and Pronghorn. Pronghorn employed a finite vol ume method with the Kurganov-Tadmor discretization. The comparison between the mass fraction spatial profiles computed with RELAP-5 and Pronghorn clearly shows the presence of numerical artifacts (i.e., overly diffusive behavior at low Mach numbers). We confirmed that the problem disappears at higher Mach numbers. We recommend future work on the implementation of a low Mach finite volume formulation to better treat low Mach number problems. Deliverable 2a: we demonstrated two approaches to model the radiation/conduction/natural convection heat transfer across a stagnant gas for the PBMR-400 design using Pronghorn. The first approach is based on the net radiation method, which relies on the computation of view factors with the Multiphysics Object-Oriented Simulation Environment (MOOSE) ray tracing capability. The second method is a traditional thermal resistance approach. The test problems include both 2D and 3D geometries. In all cases, the results show very good agreement during a DLOFC transient. This confirms that the faster thermal resistance method produces solutions that are equivalent to the net radiation method for this geometry. Deliverable 3d: we demonstrated the use of the advection kernel for the delayed neutron precursor equation in Griffin with a 2D MSFR model. The results appear physical but further verification is recommended. We also recommend the addition of conjugate heat transfer to compute the temperatures and model the thermomechanic behavior of the reflectors and other structures. Significant memory and performance issues were encountered in the 3D axisymmetric model. Future work is recommended in this area. Task 8g: this task allows multidimensional MOOSE applications to be coupled to system codes (RELAP-7 and SAM). We implemented a faster multiphysics iteration coupling algorithm, which provides an overall 6× acceleration of the 3D-1D coupling of the core multidi- mensional fluid flow solver and the 1D primary and secondary loop model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Software Quality Assurance for EBR-II Fuels Irradiation and Physics Database (FIPD)

The Fuels Irradiation and Physics Database (FIPD) is an ongoing DOE project on archival of the EBR-II metal-alloy fuel irradiation experiments. As part of its use in support of license applications, the Quality Assurance Program Plan (QAPP) was drafted and endorsed by NRC in an effort to demonstrate its compliance with regulatory expectations. Software Quality Assurance (SQA) for the physics portion of FIPD is intended to qualify the calculated quantities such as fuel and cladding temperatures, neutron fluence and axially varying burnup estimates for irradiated fuel elements. This report covers the initial evaluation of SQA status of three neutron physics and thermo-fluid codes (REBUS, RCT and SE2RCT) that form the basis of calculated quantities for as-irradiated characteristics of the tested metallic fuel elements. The report also introduces an SQA plan to address the identified deficiencies. The REBUS, RCT, and SE2RCT codes are all part of the Argonne Reactor Code (ARC) code system. There is considerable knowledge and experience on REBUS and RCT but relatively less on SE2RCT. During FY2021, efforts focused on an assessment of how the data in the EBR-II Physics and Analysis DataBase (PADB) is generated with SE2RCT and used in FIPD. Additional tasks included considerations of uncertainties for power estimates in REBUS and RCT calculations and their impact on the combined RCT methodology. The RCT software usage in FIPD was assessed this year and the input/output details studied. A “requirements” document was created that identifies the key features of the RCT software being used in FIPD that need to have SQA documentation. A brief discussion on the history of RCT and its input is included in this report along with the basic SQA roadmap laid out in the requirements document. The SE2RCT software usage in FIPD is still being studied noting that there is no current manual. As part of the work done this year, two bugs were identified in the SE2RCT software which have a minor impact on the accuracy of the results it produces. No requirements document has been created, but one identified feature of SE2RCT being used that needs verification was its fuel pin temperature calculation. The work completed this year confirms that the approximations which will be included in the software verification report for SE2RCT are accurate. In addition to software quality assurance work for RCT and SE2RCT, an automated verification framework is proposed to simplify the software quality assurance process. The purpose of this framework is to streamline code verification and documentation while minimizing repetitive tasks for code developers and reviewers. The reduction of repeated input (between reference solution, software, and documentation input) throughout the SQA process reduces potential for human errors during the preparation of the supporting software quality records. The automation of the verification and documentation process proposed for this project leverages the existing verification structure already in place for the SAS4A/SASSYS-1 code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Validation and demonstration of the AEFC as a practical safeguards tool for inventory verification

The Advanced Experimental Fuel Counter (AEFC) is a nondestructive assay (NDA) instrument designed to determine the residual fissile mass in irradiated fuel assemblies for safeguards verification purposes. This is done by actively interrogating an assembly with a neutron source and measuring the total (Singles) and correlated (Doubles) neutron count rates resulting from induced fissions in the irradiated nuclear fuel and relating those rates to the residual fissile mass using calibration curves. Comprehensive NDA measurements of the irradiated fuel inventory at Israeli Research Reactor 1 (IRR-1) were taken with the AEFC to validate a set of previously developed calibration curves. During the campaign, measurements were acquired of 32 standard fuel assemblies and three control assemblies in just nine days. This is a significant majority of the research reactor's irradiated fuel inventory and the largest data set gathered by the AEFC to date. Many of the fuel assemblies measured during the campaign had much shorter cooling times than those assemblies previously measured with the instrument. Calibration curves developed from previous AEFC deployments were used to determine the residual 235 U mass in the measured standard fuel assemblies. The results of the campaign demonstrated that the AEFC can be used to estimate the 235 U mass remaining in a large number of irradiated fuel assemblies with 1%–5% uncertainty in a reasonable amount of time despite operating in a high dose environment.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗