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Fukushima Daiichi Unit 1 Ex-Vessel Prediction: Core Concrete Interaction

Lower head failure and corium concrete interaction were predicted to occur at Fukushima Daiichi Unit 1 (1F1) by several different system-level code analyses, including MELCOR v2.1 and MAAP5. Although these codes capture a wide range of accident phenomena, they do not contain detailed models for ex-vessel core melt behavior. However, specialized codes exist for analysis of ex-vessel melt spreading (e.g., MELTSPREAD) and long-term debris coolability (e.g., CORQUENCH). On this basis, an analysis was carried out to further evaluate ex-vessel behavior for 1F1 using MELTSPREAD and CORQUENCH. Best-estimate melt pour conditions predicted by MELCOR v2.1 and MAAP5 were used as input. MELTSPREAD was then used to predict the spatially dependent melt conditions and extent of spreading during relocation from the vessel. The results of the MELTSPREAD analysis are reported in a companion paper. This information was used as input for the long-term debris coolability analysis with CORQUENCH.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Final Report Scalable Analysis Methods and In Situ Infrastructure for Extreme Scale Knowledge Discovery

The primary challenge motivating this project is the widening gap between the ability to compute information and to store it for subsequent analysis. This gap adversely impacts science code teams, who can perform analysis only on a small fraction of the data they calculate, resulting in the substantial likelihood of lost or missed science, when results are computed but not analyzed. Our approach is to perform as much analysis or visualization processing on data while it is still resident in memory, which is known as in situ processing. The idea in situ processing was not new at the time of the start of this effort in 2014, but efforts in that space were largely ad hoc, and there was no concerted effort within the research community that aimed to foster production-quality software tools suitable for use by Department of Energy (DOE) science projects. Our objective was to produce and enable the use of production-quality in situ methods and infrastructure, at scale, on DOE high-performance computing (HPC) facilities, though we expected to have an impact beyond DOE due to the widespread nature of the challenges, which affect virtually all large-scale computational science efforts. To achieve this objective, we engaged in software technology research and development (R&D), in close partnerships with DOE science code teams, to produce software technologies that were shown to run efficiently at scale on DOE HPC platforms.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Multiphysics analysis system for heat pipe cooled micro-reactors employing PRAGMA-OpenFOAM-ANLHTP

A multiphysics analysis system for neutronics/thermo-mechanical/heat-pipe analysis of heat pipe cooled micro-reactors was developed using the PRAGMA code as the neutronics engine. PRAGMA, which used to be a GPU-based continuous-energy MC code for power reactor applications, now has an extended geometry package to handle geometries with unstructured meshes generated by the ANSYS Design-Modeler and Meshing. The NVIDIA ray tracing engine OptiX was exploited for efficient neutron transport on unstructured geometry. On the multiphysics side, the open-source CFD tool OpenFOAM and one-dimensional heat pipe analysis code ANLHTP were adopted. The manager-worker system based on the MPI dynamic process management (DPM) model enables efficient coupling of codes employing different parallelization schemes. With all the features, the multiphysics analysis of the one-sixth symmetrical MegaPower 2D core was performed and it demonstrated the benefit of the tight integration of the three-way coupling system and one-to-one geometry coupling strategy. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

TRISO fuel performance analysis: Uncertainty quantification toward optimization

Tri-structural isotropic (TRISO) fuel particles are a fuel form being considered for potential use in next-generation nuclear reactors (i.e., high-temperature gas-cooled reactors). Though the TRISO fuel manufacturing process has continually advanced in recent years, particle comparisons still reveal statistical variations and uncertainties in terms of geometric configurations and material properties. Given that the physical processes ongoing in TRISO fuel particles during reactor operation are highly correlated with each other, a small degree of uncertainty in one model may lead to significant uncertainty in another. This makes appropriate uncertainty quantification of TRISO fuel particles essential. However, one may wonder about the extent to which the current version of TRISO particles has been optimized, and whether any room remains for further improvements. This paper quantifies TRISO fuel performance model uncertainties that stem from geometric and material data. For this analysis, the BISON code was used, and the Advanced Gas Reactor (AGR)-2 experiment served as a reference case. A total of 10 5 calculations was performed for the uncertainty and optimization analysis, altering the geometric and material data within their uncertainty range. Lastly, the optimization potential of TRISO particles is evaluated from a fuel performance perspective.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Coupled SAM/Griffin Model of a Reference Pebble Bed High-Temperature Gas Cooled Reactor for Multi-Physics Simulations

An effort has been dedicated to developing a reference model for multi-physics coupled simulation of the pebble bed high-temperature gas-cooled reactor (PB-HTGR) with SAM and Griffin computer codes for safety analysis and licensing purpose. The reference problem of a prototypical reactor design serves as the foundation for the U.S. NRC (Nuclear Regulatory Commission) to verify the adequacy of computer codes and evaluation models for specific reactor types. In this work, a SAM model of the HTR-PM reactor has been developed based on publicly available design information and the multi-dimensional Pronghorn model developed by Idaho National Laboratory. The SAM HTR-PM model includes a multi-dimensional core region and 0- D/1-D fluid components. Additionally, a simplified air RCCS loop is modeled for decay heat removal. The Griffin model is based on a recent work by Idaho National Laboratory. The coupling between the models is achieved through the MOOSE MultiApp system. Both steady-state and transient scenarios were simulated to demonstrate the coupled model’s capability for multi-physics simulations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

WBS 1.2.3.405 - Life Cycle Assessment of Storage Technologies

Recent commitments by the Biden administration have established targets to achieve a net-zero energy system by 2050. Meeting these targets will spur a rapid transition to clean energy technologies and a commensurate need to develop and deploy energy storage technologies at scale. Pumped Storage Hydro (PSH) is expected to be part of this solution because its ability to provide grid flexibility and stability and enable the dispatching of disparate variable renewable energy technologies. Despite PSH being a mature technology with a history of deployment dating back several decades, there is very little information on the greenhouse gas (GHG) implications of PSH as compared to other storage technologies. The objective of this project is to perform a full lifecycle assessment (LCA) of new PSH projects in the U.S. This LCA includes all project phases (resource extraction, construction, operation, maintenance, end-of-life). The functional unit for this study is 1 kWh electricity delivered by system to grid substation connection point and the estimated lifetime for our base case is 80 years. Data used in this study are based on over 30 potential PSH projects that are in preliminary planning phases and are represent a wide range of potential closed-loop PSH systems in terms of location, technology, and capacity. The project approach, data sources, and modeling assumptions have been informed by a technical review committee of stakeholders that include experts from academia, national and international government, industry, and utilities. The GHGs and energy return on investment (EROI) from PSH will be compared to other storage technologies (e.g., stationary battery storage). Results from this project will improve the PSH community's understanding of the environmental impacts and sustainability of new PSH projects and how PSH compares to other storage technologies. The approach used in this project relies on open-source programming. The analysis framework (source code and data) and will be made publicly available at the end of the project. In addition to reporting results for the base case, we will perform rigorous sensitivity analysis to identify the major drivers, understand impacts of different configurations, and future energy markets. Results from this project will be published in a suitable journal.

ENERGY PLANNING, POLICY, AND ECONOMY,HYDRO ENERGY↗

PyARC Status Report: New Integrations and Upgrades to the Fast Reactor Analysis Workflow Management Tool

PyARC was initially developed as an open source tool to support fast reactor analyses using the Argonne Reactor Computation (ARC) code suite as a part of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench initiative in FY17. The goal of this initiative is to provide a common user interface for model generation, real-time validation, execution, output processing, and visualization for all integrated codes. This is accomplished through the reliance on tools available in the Workbench framework and runtime environment. While initially developed to support the ARC codes, PyARC was extended in FY22 to wrap other NEAMS and non-ARC codes, including Griffin and OpenMC, in the supported other neutronics workflows, and support users in the adoption of NEAMS-supported high fidelity analysis codes. Most recently, NUBOW-3D, a recently adopted ARC code, was integrated to support reactor bowing calculations as well. Integration of these codes into the NEAMS Workbench directly benefits the advanced reactor modeling community by: • Providing a set of controlled, maintained, documented and validated scripts to generate inputs, which promotes best practices, reduces the learning curve, and facilitates project collaboration. • Improving the user experience: the Workbench interface provides assistance for building an input through auto-completion, real-time validation, document navigation, and geometry and results visualization. • Automating complex calculations and workflows for reactor analysis. • Helping users transition to using high-fidelity NEAMS codes along-side the ARC codes. In FY22, a progress report was published that described the state of each of the tools integrated into PyARC. Since then, there have been many enhancements and upgrades to the existing integrations as well as entirely new code integrations as well. This report details all new integrations and major developments in PyARC since the version 2.0.0 release highlighted in the FY22 report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Recommended Tritium Oxide Deposition Velocity for Use in Savannah River Site Safety Analyses

The Defense Nuclear Facilities Safety Board (DNFSB) has recently questioned the appropriate value for tritium deposition velocity used in the MELCOR Accident Consequence Code System Ver. 2 (Chanin and Young 1998) code when estimating bounding dose (95th percentile) for safety analysis (DNFSB 2011). The purpose of this paper is to provide appropriate, defensible values of the tritium deposition velocity for use in Savannah River Site (SRS) safety analyses. To accomplish this, consideration must be given to the re-emission of tritium after deposition. Approximately 85% of the surface area of the SRS is forested. The majority of the forests are pine plantations, 68%. The remaining forest area is 6% mixed pine and hardwood and 26% swamp hardwood. Most of the path from potential release points to the site boundary is through forested land. A search of published studies indicate daylight, tritiated water (HTO) vapor deposition velocities in forest vegetation can range from 0.07 to 2.8 cm/s. Analysis of the results of studies done on an SRS pine plantation and climatological data from the SRS meteorological network indicate that the average deposition velocity during daylight periods is around 0.42 cm/s. The minimum deposition velocity was determined to be about 0.1 cm/s, which is the recommended bounding value. Deposition velocity and residence time (half-life) of HTO in vegetation are related by the leaf area and leaf water volume in the forest. For the characteristics of the pine plantation at SRS the residence time corresponding to the average, daylight deposition velocity is 0.4 hours. The residence time corresponding to the night-time deposition velocity of 0.1 cm/s is around 2 hours. A simple dispersion model which accounts for deposition and re-emission of HTO vapor was used to evaluate the impact on exposure to the maximally exposed offsite individual (MOI) at the SRS boundary (Viner 2012). Under conditions that produce the bounding, 95 th percentile MOI exposure, i.e., low wind speed, weak turbulence, night, low deposition velocity, the effect of deposition and re-emission on MOI exposure was found to be very small. The exposure over the two hour period following arrival of the plume was found to be decreased by less than 0.05 %. Furthermore the sensitivity to deposition velocity was low. Increasing deposition velocity to 0.5 cm/s reduced exposure to 0.3 %. After a 24 hour period, an MOI would have been exposed to all of the released material. Based on the low sensitivity of MOI exposure to the value of deposition velocity when re-emission is considered, it is appropriately conservative to use a 0.0 cm/s effective deposition velocity for safety analysis in the MACCS2 code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NDMAS System and Process Description

Experimental data generated by the Very High Temperature Reactor Program need to be more available to users in the form of data tables on Web pages that can be downloaded to Excel or in delimited text formats that can be used directly for input to analysis and simulation codes, statistical packages, and graphics software. One solution that can provide current and future researchers with direct access to the data they need, while complying with records management requirements, is the Nuclear Data Management and Analysis System (NDMAS). This report describes the NDMAS system and its components, defines roles and responsibilities, describes the functions the system performs, describes the internal processes the NDMAS team uses to carry out the mission, and describes the hardware and software used to meet Very High Temperature Reactor Program needs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

TRACE Code Validation of BWR SVEA Fuel Assembly Spray Cooling

Emergency spray cooling injection is a safety feature implemented in many boiling water reactor designs to reflood a reactor during an accident. Significant experimental work has qualified the efficacy of spray cooling, and ongoing computational modeling efforts strive to more accurately portray the phenomena involved. This work examines the physical phenomena pertaining to emergency spray cooling injection over SVEA-type fuel assemblies. BWR emergency core cooling system (ECCS) designs commonly incorporate a Low-Pressure Core Spray (LPCS) system that introduces coolant through spray nozzles directed to the top of the core, and are located in the upper plenum region. This design is effective for LOCA response, particularly during the initial refill and reflood stages of accident response where the goal is limiting the peak cladding temperature rise in the core. The U.S. NRC thermal-hydraulics code TRACE version 5.0 Patch 4 has been chosen to simulate the separate-effect tests performed by ASEA-ATOM. The computational model was evaluated by performing forward uncertainty quantification using Dakota as the analysis tool and code driver on 31 identified parameters from the input model and TRACE physical constitutive models. This paper discusses the sensitivity of the investigated parameters with respect to spray cooling simulation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Material Performance of Fully-Ceramic Micro-Encapsulated Fuel under Selected LWR Design Basis Scenarios (Final Report)

The extension to LWRs of the use of Deep-Burn coated particle fuel envisaged for HTRs has been investigated. TRISO coated fuel particles are used in Fully-Ceramic Microencapsulated (FCM) fuel within a SiC matrix rather than the graphite of HTRs. TRISO particles are well characterized for uranium-fueled HTRs. However, operating conditions of LWRs are different from those of HTRs (temperature, neutron energy spectrum, fast fluence levels, power density). Furthermore, the time scales of transient core behavior during accidents are usually much shorter and thus more severe in LWRs. The PASTA code was updated for analysis of stresses in coated particle FCM fuel. The code extensions enable the automatic use of neutronic data (burnup, fast fluence as a function of irradiation time) obtained using the DRAGON neutronics code. An input option for automatic evaluation of temperature rise during anticipated transients was also added. A new thermal model for FCM was incorporated into the code; so-were updated correlations (for pyrocarbon coating layers) suitable to estimating dimensional changes at the high fluence levels attained in LWR DB fuel. Analyses of the FCM fuel using the updated PASTA code under nominal and accident conditions show: (1) Stress levels in SiC-coatings are low for low fission gas release (FGR) fractions of several percent, as based on data of fission gas diffusion in UO 2 kernels. However, the high burnup level of LWR-DB fuel implies that the FGR fraction is more likely to be in the range of 50-100%, similar to Inert Matrix Fuels (IMFs). For this range the predicted stresses and failure fractions of the SiC coating are high for the reference particle design (500 μm kernel diameter, 100 μm buffer, 35 μm IPyC, 35 μm SiC, 40 μm OPyC). A conservative case, assuming 100% FGR, 900K fuel temperature and 705 MWd/kg (77% FIMA) fuel burnup, results in a 8.0 x 10 -2 failure probability. For a 'best-estimate' FGR fraction of 50% and a more modest burnup target level of 500 MWd/kg ,the failure probability drops below 2.0 x 10 -5 , the typical performance of TRISO fuel made under the German HTR research program. An optimization study on particle design shows improved performance if the buffer size is increased from 100 to 120 μm while reducing the OPyC layer. The presence of the latter layer does not provide much benefit at high burnup levels (and fast fluence levels). Normally the shrinkage of the OPyC would result in a beneficial compressive force on the SiC coating. However, at high fluence levels the shrinkage is expected to turn into swelling, resulting in the opposite effect. However, this situation is different when the SiC-matrix, in which the particles are embedded, is also considered: the OPyC swelling can result in a beneficial compressive force on the SiC coating since outward displacement of the OPyC outer surface is inhibited by the presence of the also-swelling SiC matrix. Taking some credit for this effect by adopting a 5 μm SiC-matrix layer, the optimized particle (100 μm buffer and 10 μm OPyC), gives a failure probability of 1.9 x 10 -4 for conservative conditions. During a LOCA transient, assuming core re-flood in 30 seconds, the temperature of the coated particle can be expected to be about 200K higher than nominal temperature (900K). For this event the particle failure fraction for a conservative case is 1.0 x 10 -2 , for the optimized particle design. For a FGR-fraction of 50% this value reduces to 6.4 x 10 -4 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Hybrid parallel code acceleration methods in full-core reactor physics calculations

When dealing with nuclear reactor calculation schemes, the need for three dimensional (3D) transport-based reference solutions is essential for both validation and optimization purposes. Considering a benchmark problem, this work investigates the potential of discrete ordinates (Sn) transport methods applied to 3D pressurized water reactor (PWR) full-core calculations. First, the benchmark problem is described. It involves a pin-by-pin description of a 3D PWR first core, and uses a 8-group cross-section library prepared with the DRAGON cell code. Then, a convergence analysis is performed using the PENTRAN parallel Sn Cartesian code. It discusses the spatial refinement and the associated angular quadrature required to properly describe the problem physics. It also shows that initializing the Sn solution with the EDF SPN solver COCAGNE reduces the number of iterations required to converge by nearly a factor of 6. Using a best estimate model, PENTRAN results are then compared to multigroup Monte Carlo results obtained with the MCNP5 code. Good consistency is observed between the two methods (Sn and Monte Carlo), with discrepancies that are less than 25 pcm for the k{sub eff}, and less than 2.1% and 1.6% for the flux at the pin-cell level and for the pin-power distribution, respectively. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Study of Energy Saving Analysis for Different Industries

This study analyzes the energy consumption and saving performance in the industries in the U.S.A. All energy assessments implemented were for facilities whose annual energy consumptions were less than 9,000,000 kWh (small- and medium-sized industries) that belong to the manufacturing industries with Standard Industrial Classification (SIC) codes ranging from 2000 to 3999 in addition to SIC codes starting with 49. In this study, assessments are classified based on the SIC codes with recommendations analysis for each classification to get a better idea of what recommendations were suggested in each major industrial sector, knowing that 68 assessments were made, and their SIC ranged from 14 to 49. In addition, this study could be considered as a guide for energy engineers and other personnel involved in the energy assessment process. The information investigated can give a better prediction for composing better energy-demanding industries and minimizing energy consumption. More than 61 energy assessments were conducted for manufacturing facilities and analyzing the data gathered and processed. Through the research, the Fabricated Metal industry achieved the highest average kWh savings and cost savings within the industries studied in this study. According to the average gigajoule (GJ) savings, the fabricated metal industry ranked second within the studied industries. Conversely, Food and Kindred Products achieved the highest GJ energy savings within the studied industries. Overall, lighting, motors, compressors, and heating, ventilation, and air conditioning (HVAC) were the most contributing industries in a total of 547 recommendations.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Final Report A Multi-Language Environment For Programmable Code Optimization and Empirical Tuning

This report summarizes our effort and results of building an integrated optimization environment to effectively combine the programmable control and the empirical tuning of source-to-source compiler optimizations within the framework of multiple existing languages, specifically C, C++, and Fortran. The environment contains two main components: the ROSE analysis engine, which is based on the ROSE C/C++/Fortran2003 source-to-source compiler developed by Co-PI Dr.Quinlan et. al at DOE/LLNL, and the POET transformation engine, which is based on an interpreted program transformation language developed by Dr. Yi at University of Texas at San Antonio (UTSA). The ROSE analysis engine performs advanced compiler analysis, identifies profitable code transformations, and then produces output in POET, a language designed to provide programmable control of compiler optimizations to application developers and to support the parameterization of architecture-sensitive optimizations so that their configurations can be empirically tuned later. This POET output can then be ported to different machines together with the user application, where a POET-based search engine empirically reconfigures the parameterized optimizations until satisfactory performance is found. Computational specialists can write POET scripts to directly control the optimization of their code. Application developers can interact with ROSE to obtain optimization feedback as well as provide domain-specific knowledge and high-level optimization strategies. The optimization environment is expected to support different levels of automation and programmer intervention, from fully-automated tuning to semi-automated development and to manual programmable control.

97 MATHEMATICS AND COMPUTING↗

SHARP Assembly-Scale Multiphysics Demonstration Simulations

The NEAMS Reactor Product Line effort aims to develop an integrated multiphysics simulation capability for the design and analysis of future generations of nuclear power plants. The Reactor Product Line code suite’s multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. In this report, we describe our efforts to integrate thermal/hydraulics, neutronics, and structural mechanics modeling codes to perform coupled analysis of a representative fast sodium-cooled reactor fuel assembly. Over the past five years, the Reactor Product Line effort has developed high-fidelity single-physics codes for neutron transport modeling, in the PROTEUS code, and Large Eddy Simulation-based thermal/fluid modeling in the Nek5000 code. Both these codes have been exercised on over 100,000 processors of the IBM Blue Gene/P. The Diablo code has been used to perform structural mechanics and thermo-mechanical modeling. MOAB, the Reactor Geometry Generator (RGG), and MeshKit have been developed to generate and manipulate mesh and mesh-based data, in both serial and parallel environments. These tools together form a strong basis on which to build a multi-physics modeling capability. The goal of developing such a tool is to perform multi-physics neutronics, thermal/fluid, and structural mechanics modeling of the components inside a reactor core. While the focus of this report is on modeling a fast sodium-cooled reactor, it is also the goal that this simulation tool be useful for most reactor types. Here we report on the integration of PROTEUS and Nek5000 into the NEAMS framework. Both codes have been modified to read and write data from and to the MOAB library, in both serial and parallel environments. We focused on broad support for as many original physics code options as possible, rather than focusing only on near-term needs. Both codes were demonstrated through this interface on a relatively simple, seven-pin hexagonal fuel assembly. To support coupled analysis, the new multi-physics driver library COUPE was developed; this library provides flexible support for both loose and tight coupling, and can interface flexibly with codes in multiple programming languages. To couple results between the separate meshes used in each physics, the driver, PROTEUS, and Nek5000 all interface with the MBCoupler solution transfer tool provided with MOAB. Together, these tools form the basis of a new, coupled neutronics and thermal/fluid modeling code, that works in both serial and parallel. In a related effort, a driver in the Diablo code was used to access Nek5000-computed results written to a MOAB database, as well as the temperature data used to drive structural mechanics computations.

Tautges, Timothy J.↗

Bluecrab: Comprehensive Reactor Analysis Bundle

BlueCRAB is a combination of existing codes created in close collaboration with the U.S. NRC useful for various reactor safety analysis simulations. For the purpose of classification it should be noted that BlueCRAB (the bundle) can be split up in several ways. At the heart of the software is "wrapping" and "coupling" code for brining in several non-INL projects from the NRC and Argonne National Laboratory (SAM). These codes facilitate the building and linking of these various codes during compilation and assist with data movement during execution. BlueCRAB can optionally link in several other applications including the following: BISON: fuels performance Griffin: Reactor Physics Pronghorn: CFD IAPS95: EOS for water, helium, nitrogen TRACE: NRC Code for 2 phase flow (system analysis) FAST: NRC Code for fuels performance SAM: ANL Code for single phase system analysis

Permann, Cody↗

Performance analysis of a 3D unstructured mesh hydrodynamics code on multi‐core and many‐core architectures

SUMMARY Several next generation high performance computing platforms are or will be based on the so‐called many‐core architectures, which represent a significant departure from commodity multi‐core architectures. A key issue in transitioning large‐scale simulation codes from multi‐core to many‐core systems is closing the serial performance gap, that is, overcoming the large difference in single‐core performance between multi‐core and many‐core systems. In this paper, we discuss how this problem was addressed for a 3D unstructured mesh hydrodynamics code, describe how Amdahl's law can be used to estimate performance targets and guide optimization efforts, and present timing studies performed on multi‐core and many‐core platforms. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.

Waltz, J.↗