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Cold ion beam in a storage ring as a platform for large-scale quantum computers and simulators: Challenges and directions for research and development

The purpose of this paper is to evaluate the possibility of constructing a large-scale storage-ring-type ion-trap system capable of storing, cooling, and controlling a large number of ions as a platform for scalable quantum computing (QC) and quantum simulations. In such a trap, the ions form a crystalline beam moving along a circular path with a constant velocity determined by the frequency and intensity of the cooling lasers. In this paper, we consider a large leap forward in terms of the number of ions that serve as qubits in QC, from fewer than 100 available in state of the art linear ion-trap devices today to an order of 10 5 crystallized ions in the storage-ring setup. This new trap design unifies two different concepts: the storage rings of charged particles and the linear ion traps used for QC and mass spectrometry. In this paper, we use the language of particle accelerators to discuss the ion state and dynamics. We outline the differences between the above concepts, analyze challenges of the large ring with a revolving chain of ions, and propose goals for the research and development required to enable future quantum computers with 1000 times more qubits than available today. The challenge of creating such a large-scale quantum system while maintaining the necessary coherence of the qubits and the high fidelity of quantum logic operations is significant. Performing analog quantum simulations may be an achievable initial goal for such a device. Quantum calculations and simulations of complex quantum systems will move forward both the fundamental science and the applied research. Nuclear and particle physics, many-body quantum systems, lattice gauge theories, and nuclear structure calculations are just a few examples in which a large-scale quantum simulation system will become a very powerful tool to move forward our understanding of nature.

36 MATERIALS SCIENCE↗

Power Profile Monitoring and Tracking Evolution of System-Wide HPC Workloads

The power & energy demands of HPC machines have grown significantly. Modern exascale HPC systems require tens of megawatts of combined power for computing resources and cooling facilities at full capacity. The current energy trend is not sustainable for future HPC systems, and there is a need to work toward the energy efficiency aspect of HPC performance. Energy awareness of the HPC applications at the job level is essential for running an efficient HPC system. This work aims to develop a pipeline to provide a production-level system-wide overview of the HPC workloads' power profile while handling evolving workloads exhibiting new power trends. We developed an open-set classification model for HPC jobs based on the properties of power profiles to continuously provide a system-wide holistic view of recently completed jobs. The pipeline helps continuously monitor the job-level power usage pattern of HPC and enables us to capture the new trends in applications' power behavior. We employed a comprehensive set of techniques to generate job-level data, custom-designed feature extraction methods to extract critical features from jobs' power profiles, clustering techniques powered by generative modeling, and open-set classification for identifying job profiles into known classes or an unknown set. With extensive evaluations, we demonstrate the effectiveness of each component in our pipeline. We provide an analysis of the resulting clusters that characterize the power profile landscape of the Summit supercomputer from more than 60K jobs executed in a year. The open-set classification classifies the known data sets into known classes with high accuracy and identifies unknown data noints with over 85% accuracy.

Karimi, Ahmad Maroof↗

Demonstration of Emitted-Neutron Computed Tomography to Count Fuel Pins

In this paper, we report demonstration of emitted-neutron computed tomography using fast fission neutrons to infer the geometry of sources of special nuclear material (SNM) such as fuel pins. In a proof-of-concept measurement at the Idaho National Laboratory’s (INL’s) Zero Power Physics Reactor (ZPPR) facility, an array of unirradiated Pu MOX fuel rodlets in a soup can were imaged, and a bias defect consisting of a single rodlet containing Pu replaced by one containing depleted uranium (DU) was detected. The imaging system employed in the demonstration is based on a newly constructed array of pixelated neutron detectors that are suitable for arrangement in a close-packed imaging array and whose active volume consists of liquid scintillator EJ-309 which allows neutron-gamma discrimination via pulse shape to enable pure fast-neutron imaging. The imaging array was used along with a radial collimator aperture in order to perform high quality fast-neutron imaging where tomographic reconstruction of slices through an object resolve neutron sources similar in dimension to a fuel pellet, or about 1 cm. Measurements were performed at Oak Ridge National Laboratory (ORNL) with neutron sources in addition to those performed at the INL’s ZPPR facility with Pu MOX fuel rodlets. An analogous capability to detect single-pin defects in spent fuel assemblies would be desirable, such as for safeguards verification measurements of spent fuel assemblies just prior to transferring them from the spent fuel cooling pool to long term dry cask storage. This paper describes the design and construction of the present imager, characterization measurements with neutron sources at ORNL, measurements with SNM at INL’s ZPPR facility, and feasibility of building an analogous imager for spent fuel measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Technoeconomic Design Optimization for Fast Reactors. Part II: Impact of Technoeconomic Constraints on Optimal Design

There is a current drive toward optimizing reactors, particularly small/micro reactors to minimize cost and maximize performance. Previous work has investigated the development of technoeconomic workflows for the design optimization of pool-type fast reactors that aim to deploy into district energy grids. Initial scoping studies verified that the workflow was capable of capturing design trends throughout a variety of design configurations and problem formulations while remaining sufficiently flexible. In this paper, this methodology is applied to understand how cost functions and technoeconomic constraints can drive optimal reactor design. Specifically, the UPu10Zr-fueled fast reactor model from Part I is adapted to include changes in the fissile content limits, control rod worth limits, control rod drive cost, and assumed fuel form. In the case of constraint relaxation at fixed power (fissile content and control rod worth limits), cost sensitivities of 5% to 10% were uncovered. Multi-objective optimization at varying reactor power levels with individualized control rod drives for each assembly (as opposed to one operational and one safety drive) increased cost by $\$10$ to $\$25$ million and substantially altered the optimal core geometry, favoring geometries with substantially fewer control rod placements relative to baseline optimization. Finally, a multi-objective optimization was performed at varying power levels with the fuel form overhauled to metallic, high-assay low-enriched uranium–based U10Zr with more refined fuel cost models. In the case of uranium fueling, the costs increased by at least $50 million relative to the baseline case. Furthermore, economic fuel zoning and lower reactivity swing cores were recovered. Each case serves to demonstrate the value of applying technoeconomic workflows to initial reactor design scoping studies to better understand the trade-off for a proposed concept between different design options.

Argonne Reactor Computation (ARC) codes↗

Development and Validation of a Two-Phase Thermal-Hydraulic CFD Code NEK-2P

A project is underway to develop, verify and validate an advanced two-phase flow modeling capability for the highly-scalable, high-performance Computational Fluid Dynamics (CFD) code NEK5000. The goal of this work is to verify and validate the two-phase version of the NEK5000 code, named NEK-2P, to simulate the two-phase flow and heat transfer phenomena that occur in a Boiling Water Reactor (BWR) fuel bundle under various operating conditions. The NEK-2P two-phase flow models follow the approach used for the Extended Boiling Framework (EBF) previously developed at Argonne but include more fundamental physical models of boiling phenomena and advanced numerical algorithms for improved computational accuracy, robustness, and computational speed. The development of the NEK-2P two-phase solver and the implementation of the Extended Boiling Framework two-phase models were initially supported by Argonne National Laboratory (Argonne) through a Laboratory Directed Research and Development (LDRD) project during FY2014-2016. The development and validation of the two-phase models through analyses of selected two-phase boiling flow experiments was supported by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in FY2017-2020. This report focuses on verification and validation of the water-steam boiling model NEK-2P Two-Phase, CFD code. The NEK-2P was validated with Nuclear Power Engineering Corporation (NUPEC) Pressurized Water Reactor (PWR) Sub-channel and Bundle Test (PSBT) void distribution benchmark. Three different simulations were performed and analyzed for various operating conditions such as wall-heat flux and sub-cooled inlet temperatures. Reasonably good agreement with measured data was obtained in predicting the measured void distributions. Simulations were performed for Virginia Tech. (VT) 3x3 rod bundle geometry with and without spacers. The preliminary results were presented for Simplified Spacer Grid (SSG). In addition, the implementation of interface reconstruction model was tested with one of the Becker benchmark Critical Heat Flux (CHF) experiments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Modeling a Sodium Heat Pipe Experiment at SPHERE Using Sockeye

The Single Primary Heat Extraction and Rejection Emulator (SPHERE) facility at Idaho National Laboratory was recently utilized to generate data for the startup and steady operation of a high-performance, sodium heat pipe over the course of 1,000 hours to test the detrimental, long-term effects of heat pipe operation. The setup consisted of a single, sodium heat pipe enclosed in a stainless-steel vacuum chamber, heated radiatively via a cylindrical ceramic-fiber heater configuration and cooled via a water-cooled calorimeter. Measurements included temperatures at several axial locations along the outer surface of the heat pipe, the power provided to the heaters, and the heat removal rate of the calorimeter. In this work, we use this data to validate heat pipe models in Sockeye, a heat pipe application based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Sockeye provides various heat pipe models at an engineering scale appropriate for the multiphysics simulation of microreactors, which may feature several hundred heat pipes. This work details models of this experiment at SPHERE using various heat pipe models with Sockeye, including heat-conduction-based and compressible flow models of the heat pipe interior.

97 - MATHEMATICS AND COMPUTING↗

Progress Towards the Validation of a new RELAP5-3D model of the High Temperature Test Facility

Validation is a key step in the development of any type of systems model. As the next generation of reactors approaches, the need for codes that have been validated for these new types of systems continues to grow. An example of a prominent option is the Reactor Excursion Leak Analysis Program (RELAP5-3D), developed by Idaho National Laboratory. This code was developed for the purpose of systems level thermal-hydraulic modeling of light water reactors (LWRS) and postulated transients that can occur in LWRS.RELAP5-3D has been substantially validated against LWR data. Due to its long history as a reactor safety analysis tool, there has been an effort to adapt RELAP5-3D for the purposes of advanced reactor concepts such as prismatic high-temperature gas-cooled reactors (HTGRs). However, RELAP5-3D has not nearly been validated and verified for HTGRs to the degree of LWRs, warranting verification and validation opportunities with computational benchmarks and existing experimental facilities. Examples of such facilities include the modular high-temperature gas-cooled reactor (MHTGR) 350 and the high temperature engineering test reactor (HTTR) from Japan. The MHTGR 350 is a benchmark design concept for code-to-code verification purposes; therefore, it does not provide any experimental data for validation opportunities The HTTR provides useful multiphysics validation data but does not have the in-core instruments to generate thermal-hydraulic experimental data to help with RELAP5-3D validation. Consequently, a facility that could provide key in-core temperatures for thermal-hydraulic validation was still needed. The High Temperature Test Facility (HTTF) is an integral effects facility for HTGR thermal hydraulics developed and operated by Oregon State University. HTTF represents ¼ length scale of the General Atomics MHTGR and is rated for a total power of 2.2 MW. Axially, the core consists of an upper and lower reflector and 10 blocks, numbered from bottom to top (Block 1 is right above lower reflector). The core is heated via graphite resistive heater rods, with respective channels distributed throughout the core. The primary coolant is helium and heat can radiate out of the core to the reactor cavity cooling system (RCCS), which is cooled by water. The primary purpose of the facility is to investigate pressurized conduction cooldown (PCC) and depressurized conduction cooldown (DCC) transients, which are also referred to as the pressurized and depressurized loss of forced cooling respectively. Two experiments were chosen to perform the validation study with a RELAP5-3D model of HTTF. These experiments are PG-27 (PCC) and PG-29 (DCC). These were chosen based off of the quality of available experimental data before and during the experiment which led to their inclusion in the HTGR Thermal Hydraulics Benchmark.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Mixed Convection in the VHTR in the Event of a LOFA

The US Department of Energy, Office of Nuclear Energy (DOE-NE) is supporting the development of a very high temperature reactor (VHTR) concept as the primary focus of it next generation nuclear power plant (NGNP) program. The VHTR is cooled by forcing helium downwards through the core into the lower plenum and out the hot duct. In the event that the coolant circulators are lost, the driving pressure drop across the core will reduce to zero and there will be the opportunity for natural circulation to occur. During the time that the circulators are powering down, the heat transfer in the core from the graphite blocks to the helium coolant will transform from turbulent forced convection to mixed convection, where buoyancy effects become important, to free or natural convection, where buoyancy is dominant. Analysis of the nature of the forced, mixed and free convection is best done using computational fluid dynamic (CFD) software that can provide fine details of the flow and heat transfer. However, CFD analysis involves approximations in the results because of the finite nature of the spatial and temporal discretizations required, the inexact nature of the turbulence models that are used and the finite precision of the computers employed. Therefore, it is necessary to validate the CFD computations. Validation is accomplished by comparing results from specific CFD computations to experimental data that have been taken specifically for the purpose of validation and that are related to the physical phenomena in question. The present report examines the flow and heat transfer parameters (dimensionless numbers) that characterize the flow and reports ranges for their values based on specific CFD studies performed for the VHTR.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

On DESTINY Science Instrument Electrical and Electronics Subsystem Framework

Future space missions are going to require large focal planes with many sensing arrays and hundreds of millions of pixels all read out at high data rates'' . This will place unique demands on the electrical and electronics (EE) subsystem design and it will be critically important to have high technology readiness level (TRL) EE concepts ready to support such missions. One such omission is the Joint Dark Energy Mission (JDEM) charged with making precise measurements of the expansion rate of the universe to reveal vital clues about the nature of dark energy - a hypothetical form of energy that permeates all of space and tends to increase the rate of the expansion. One of three JDEM concept studies - the Dark Energy Space Telescope (DESTINY) was conducted in 2008 at the NASA's Goddard Space Flight Center (GSFC) in Greenbelt, Maryland. This paper presents the EE subsystem framework, which evolved from the DESTINY science instrument study. It describes the main challenges and implementation concepts related to the design of an EE subsystem featuring multiple focal planes populated with dozens of large arrays and millions of pixels. The focal planes are passively cooled to cryogenic temperatures (below 140 K). The sensor mosaic is controlled by a large number of Readout Integrated Circuits and Application Specific Integrated Circuits - the ROICs/ASICs in near proximity to their sensor focal planes. The ASICs, in turn, are serviced by a set of "warm" EE subsystem boxes performing Field Programmable Gate Array (FPGA) based digital signal processing (DSP) computations of complex algorithms, such as sampling-up-the-ramp algorithm (SUTR), over large volumes of fast data streams. The SUTR boxes are supported by the Instrument Control/Command and Data Handling box (ICDH Primary and Backup boxes) for lossless data compression, command and low volume telemetry handling, power conversion and for communications with the spacecraft. The paper outlines how the JDEM DESTINY concept instrument EE subsystem can be built now, a design; which is generally U.S. Government work not protected by U.S. copyright IEEEAC paper # 1429. Version 4. Updated October 19, 2009 applicable to a wide variety of missions using large focal planes with lar ge mosaics of sensors.

Kizhner, Semion↗

High Fidelity CFD Simulations Supporting the KP-FHR

Kairos Power, LLC, is developing its version of the Fluoride-cooled High-temperature Reactor, the KP-FHR. The design uses a pebble bed core with fluoride salt as a coolant. The pebbles used in the KP-FHR have a diameter of 4 cm, with a shell fuel region where TRISO particles are embedded. A Pebble bed core design is adopted by several Gen IV reactors, They boast many benefits, such as fuel integrity, highly efficient heat transfer, and passive safety. However, it is challenging to accurately predict temperature and flow inside a pebble bed. Traditional approaches use the porous media model, which regards the pebble bed as a continuous medium, but with different temperature fields representing different levels, such as the fluid temperature, pebble surface temperature, and pebble center temperature. Empirical heat transfer correlations are adopted to calculate the heat transfer coefficient between different phases. However, empirical correlations are usually validated with experimental data, which usually lacks detail inside the pebble bed. The available experimental data is also generally at a high Reynolds number, which falls outside of the conditions of KP-FHR. Explicit computational fluid dynamics (CFD) simulations of randomly packed pebble beds have only become feasible recently. This is thanks to the rapid development of computational power and scalable algorithms. In this work, we used the Spectral Element Method (SEM) CFD code NekRS to simulate the randomly packed pebble bed in a cylindrical container. NekRS, which is the GPU variant of Nek5000, but refactored to utilize the computational power of GPUs using the OCCA library to run on hybrid architecture high performance computing systems. It was initially developed with the libParamunal library, but truncated and tuned for large-scale turbulence simulation. As a result, the SEM reaches higher precision with the same degrees of freedom by using a high-order Lagrange polynomial basis distributed on Gauss-Lobatto-Legendre quadrature inside each element, compared to lower-order methods, such the Finite Volume Method and Finite Element Method. The report is divided into five parts. We start with a general discussion of the pebble bed reactor, along with a specific investigation into the KP-FHR. The second part presents the numerical methodology. In the third part, we study a modular pebble bed with 1741 pebbles in a container of 7 pebble-diameter radius. Beyond LES simulations done by NekRS, we also leveraged the thermal radiation model in OpenFOAM to study heat transfer under no-forced-flow scenarios. Then, in the fourth part we simulated a pebble bed similar to the size of the Hermes Test Reactor. The total number of pebbles is in these simulations is 34,374. The container radius is 14 pebble-diameters. Finally, the report concludes in part five, with a discussion of future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Transient Modeling and Simulation of a Generic Stable Salt Reactor

A SAM system-level model of a generic stable salt reactor has been developed to investigate thermal-hydraulic behavior and safety performance under steady and transient conditions. The model integrates information generated from a reactor physics analysis using PROTEUS and PERSENT, and a computation fluid dynamics (CFD) analysis using STAR-CCM+. A loose, iterative coupling scheme between PROTEUS and SAM is implemented to calculate the equilibrium power and temperature distributions in the steady-state critical core condition. The converged steady-state model is then used in PERSENT to calculate the four reactivity feedback temperature coefficients (Doppler, fuel density, coolant density, and core radial expansion) and kinetic parameters that are needed in SAM to model the temperature feedback effects in transient simulations. Within the fully enclosed liquid fuel pins, natural convection is the dominant heat transfer mechanism. The STAR-CCM+ model of the fuel pin considers conjugate heat transfer from the liquid fuel salt to the pin cladding and external reactor coolant. The CFD results of the axial and radial temperature profiles are used to empirically determine an effective fuel salt thermal conductivity in the SAM fuel pin model so that the temperatures predicted by the SAM model match as closely as possible the CFD results. In the central region of the fuel pin, the effective thermal conductivity is as high as similar to 60 times the physical fuel salt thermal conductivity. The whole-plant SAM model is then used to simulate an unprotected station blackout transient. The results of this simulation showed that the large negative fuel axial expansion reactivity feedback reduces fission power to similar to 2.4% nominal power. The core is cooled by natural circulation, which removes heat in the core to the emergency heat removal system, and ultimately, to the ambient. However, peak fuel salt and cladding temperatures can potentially reach as high as 1500 K, albeit briefly, if the shutdown mechanism fails to operate.

stable salt reactor; transient simulations; system↗

Thermal-Fluid and Thermal-Structural Response of the T-Tube Modular Divertor to Spatiotemporally Varying Heat Loads

Tungsten (W) is the leading candidate for divertor target plates because of its high melting point (>3000°C), thermal conductivity, and ultimate tensile stress. While W and its alloys are the only solid materials that can survive the high heat fluxes incident on the divertor, W’s low-ductility high ductile-to-brittle transition temperature of ~600°C and relatively low recrystallization temperature (RT) of ~1300°C pose structural (among other) challenges. The objective of this work is to estimate the thermal-fluid and thermal-structural performance of the helium (He)-cooled T-tube divertor, which was originally developed by the Advanced Reactor Innovation and Evaluation Study (ARIES) using numerical simulations. Here, predictions of temperature distributions across the plasma-facing structural component and surface pressures from computational fluid dynamics simulations are used to determine stress distributions using commercial structural finite element modeling software over a range of fusion-relevant conditions. The maximum allowable incident heat fluxes are determined based on the temperature limits imposed by the ITER elastic Structural Design Criteria for In-vessel Components (SDC-IC) and the maximum RT over a range of He mass flow rates and presented in the form of performance design charts. Our recent work found that thermal- structural criteria accounting for the low ductility of W in a finger-type modular divertor constrain the maximum incident heat fluxes to values well below the ITER specifications, and those based on considering only the RT demonstrate that integrated thermal-fluid and elastic structural performance evaluation are required for accurate assessment of divertor performance. This novel analysis of the T-tube considers how nonuniform and transient incident heat fluxes affect its thermal-fluid and thermal-structural performance, as well as the effect of volumetric heating, which can be as great as 27% of the power incident on the divertor surface. The W tile of the T-tube, with its relatively large plasma-facing area of ~15 cm 2 , will likely experience significant spatial variations in incident heat flux. This work therefore assesses whether steady-state incident heat flux profiles with a peak of 10 MW/m 2 and maximum heat flux gradients of 200 MW/m 2 per m exceed the structural limits imposed by the ITER elastic SDC-IC and the maximum RT over a range of fusion-relevant conditions. The effect of transient heat fluxes typical of plasma detachment and reattachment from the target plate due, for example, to gas injection are also evaluated

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Advanced Production Surface Preparation Technology Development for Ultra-High Pressure Diesel Injection

In 2007, An Ultra High Injection Pressure (UHIP) fueling method has been demonstrated by Caterpillar Fuel Systems - Product Development, demonstrating ability to deliver U.S. Environment Protection Agency (EPA) Tier 4 Final diesel engine emission performance with greatly reduced emissions handling components on the engine, such as without NOx reduction after-treatment and with only a through-flow 50% effective diesel particulate trap (DPT). They have shown this capability using multiple multi-cylinder engine tests of an Ultra High Pressure Common Rail (UHPCR) fuel system with higher than traditional levels of CEGR and an advanced injector nozzle design. The system delivered better atomization of the fuel, for more complete burn, to greatly reduce diesel particulates, while CEGR or high efficiency NOx reduction after-treatment handles the NOx. With the reduced back pressure of a traditional DPT, and with the more complete fuel burn, the system reduced levels of fuel consumption by 2.4% for similar delivery of torque and horsepower over the best Tier 4 Interim levels of fuel consumption in the diesel power industry. The challenge is to manufacture the components in high-volume production that can withstand the required higher pressure injection.

02 PETROLEUM↗

Testing of Helium-Cooled Metal Molybdenum Disk Target

NorthStar Medical Radioisotopes LLC is planning to produce an important medical radioisotope, molybdenum-99 (Mo-99), through photonuclear reaction on molybdenum-100 (Mo-100). In this approach, molybdenum metal will be bombarded with a 40-MeV electron beam. Because enriched Mo-100 is expensive, it is desired to use as much beam power as possible to achieve maximum production yield and minimize target mass. This objective leads to very high beam power density (heat deposition in the target), which sets challenging requirements for cooling. Together with scientists at Los Alamos National Laboratory, a team at Argonne National Laboratory has developed and demonstrated a cooling approach using pressurized helium, which allows for efficient heat removal. One of the main challenges in this approach is the management of the heat load on the target window. The target window separates the high-pressure helium inside the target from the vacuum in the beamline, so it is constantly under stress from differential pressure. Also, the window is cooled only by the helium gas flowing on one side, making the window cooling even more challenging. High heat deposition in the target disks also imposes a strict requirement on performance of the helium cooling system and thickness of the target disks. The target disks are produced from metal powder via a press-and-sinter process. The resulting disks do not possess tensile strength as high as solid molybdenum and might not survive the vibration from the high-velocity helium coolant and high thermal stress from beam heating. An Argonne team of scientists performed a series of tests at Argonne’s Low Energy Accelerator Facility (LEAF) [3-7]. This report describes two series of tests for scale down production target designs that utilize full-scale 29 millimeters diameter, 0.75 mm thick press-and-sintered disks. We performed two thermal tests with different beam parameters and configurations of the disk laminations. We compared the results of the window temperature measurements and cooling system parameters obtained in the experiments with those predicted by analytical calculations and Computation Flow Dynamic (CFD) simulations. Results of the experiments and calculations are presented below.

36 MATERIALS SCIENCE↗

Machine Learning Assisted Safety Modeling and Analysis of Advanced Reactors

With the advances in computational power and numerical methods, analysts can now rely on first-principle simulations to predict ultra-fine details in a variety of applications. Advances in machine learning (ML) have produced algorithms that can now learn high-level abstractions via hierarchical models. This project aims to leverage advances in ML techniques and the available high-resolution simulation data to develop a novel modeling and simulation (M\&S) methodology for reactor safety analysis. While application-agnostic ML techniques are available, complex physics constraints need to be incorporated into ML techniques to build ML-based closures for computationally efficient predictive simulations. This project intends to develop a physics-guided data-driven multi-scale methodology for M\&S of advanced reactors. The project focuses on thermal fluid (T/F) phenomena, which play major roles in advanced reactor safety. Specifically, we propose a data-driven coarse-mesh turbulence model based on local flow features for the transient analysis of thermal mixing and stratification in a sodium-cooled fast reactor (SFR). The model has a coarse-mesh setup to ensure computational efficiency, while it is trained by fine-mesh computational fluid dynamics (CFD) data with Reynolds-averaged Navier-Stokes (RANS) turbulence model to ensure accuracy. Three different neural networks are developed and tested for loss-of-flow transients in the hot pool of SFR, i.e. the densely connected convolutional neural network (DCNN), long-short-term-memory network based on proper orthogonal decomposition (POD-LSTM), and the DCNN informed by LSTM (DCNN-LSTM). The performances of these three neural networks are evaluated based on baseline models. The DCNN-LSTM model has been chosen for further hyperparameter optimization. Furthermore, based on a simplified two-dimensional case, uncertainty quantification (UQ) of the developed ML-based closure are investigated with three methods, i.e. Monte Carlo dropout, deep ensemble, and Bayesian neural network. The developed ML-based turbulent viscosity closure relation based on deep ensemble is then integrated into the system analysis module SAM and serves as a term in the conservation equations. Such a SAM-ML based procedure guarantees that the obtained results are consistent with the physical constraints of the thermal-fluid system. The SAM-ML simulation on the same loss-of-flow transient showed comparable accuracy with the CFD simulation but with a much coarser mesh setup. Last but not least, the ML-based closure improvement with the support of higher-fidelity data from large eddy simulation (LES) is discussed. As a first step towards this direction, a baseline LES simulation is performed to obtain comparable data with RANS results. Based on the early results, future investigation on further improving the ML-based closure is discussed. We believe the developed approach that combines scientific machine learning with nuclear system analysis code can benefit the advanced reactor community as more accurate safety analyses will better characterize reactor safety margins and reduce licensing efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Hybrid Line List for CH4 and Hot Methane Continuum

Molecular line lists (a catalogue of transition frequencies and line strengths) are important for modelling absorption and emission processes in atmospheres of different astronomical objects, such as cool stars and exoplanets. In order to be applicable for high temperatures, line lists for molecules like methane must contain billions of transitions, which makes their direct (line-by-line) application in radiative transfer calculations impracticable. Here we suggest a new, hybrid line list format to mitigate this problem, based on the idea of temperature-dependent absorption continuum. Methods. The line list is partitioned into a large set of relatively weak lines and a small set of important, stronger lines. The weaker lines are then used either to construct a temperature-dependent (but pressure-independent) set of intensity cross sections or are blended into a greatly reduced set of super-lines. The strong lines are kept in the form of temperature independent Einstein A coefficients. Results. A line list for methane is constructed as a combination of 17 million strong absorption lines relative to the reference absorption spectra and a background methane continuum in two temperature-dependent forms, of cross sections and super-lines. This approach eases the use of large high temperature line lists significantly as the computationally expensive calculation of pressure dependent profiles only need to be performed for a relatively small number of lines. Both the line list and cross sections were generated using a new 34 billion methane line list (34 to10), which extends the 10to10 line list to higher temperatures (up to 2000 K). The new hybrid scheme can be applied to any large line lists containing billions of transitions. We recommend to use super-lines generated on a high resolution grid based on resolving power R = 1,000,000 to model the molecular continuum as a more flexible alternative to the temperature dependent cross sections.

Line Profiles↗

Simulation of 1% hot leg SBLOCA with TRACE5

During a Small Break Loss-of-Coolant Accident (SBLOCA) transient, depressurization can be slow enough to delay the Accumulators (ACC) entry for a long time. Actuation of High Pressure Injection (HPI) system is then necessary in order to maintain the core temperature low enough to avoid core boil off, and consequently avoiding the core level to fall below fuel rods level, thus producing a temperature trip in the fuel cladding. In this frame, the OECD/NEA ROSA Project Test 1.2 (SB-HL-17 in Japan Atomic Energy Agency (JAEA)) has been simulated using the thermal-hydraulic code TRACES. Test 1.2 was performed in the Large Scale Test Facility (LSTF) reproducing a 1% hot leg SBLOCA in a Pressurized Water Reactor (PWR). A comparison between experimental and the main simulated variables was performed to study the effect of important parameters (liquid stratification, geometry and size) to model the break. Finally, in an Emergency Core Cooling System (ECCS) failure scenario, loss of coolant is large enough to produce core boil-off and a Peak Cladding Temperature (PCT) excursion. With this purpose a sensitivity analysis varying the HPI mass flow rate has been performed covering the range between HPI actuation and failure. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Critical Configuration and Physics Measurements for Assemblies of U(93.15)O 2 Fuel Rods

A series of critical experiments were completed in 1962-1965 at Oak Ridge National Laboratory’s (ORNL’s) Critical Experiments Facility (CEF) in support of the Medium-Power Reactor Experiments (MPRE) program. In the late 1950s, efforts were made to study “power plants for the production of electrical power in space vehicles.”(a) The MPRE program was a part of those efforts and studied the feasibility of a stainless-steel system, boiling potassium 1 MW(t), or about 140 kW(e), reactor. The program was carried out in [fiscal years] 1964, 1965, and 1966. A summary of the program’s effort was compiled in 1967. The delayed critical experiments were a mockup of a small, potassium-cooled space power reactor for validation of reactor calculations and reactor physics methods. Initial experiments, performed in November and December of 1962, consisted of a core of unmoderated stainless-steel tubes, each containing 26 UO 2 fuel pellets, surrounded by a graphite reflector. Measurements were made to determine critical reflector arrangements, fission-rate distributions, and cadmium ratio distributions. Subsequent experiments used beryllium reflectors and also measured the reactivity for various materials placed in the core. “The [assemblies were built] on [a] vertical assembly machine so that the movable part was the core and bottom reflector.”(Reference 1) The experiment studied in this evaluation was the first of the series and had the fuel tubes packed tightly into a 22.87 cm outside diameter (OD) core tank. Two critical configurations were found by varying the amount of graphite reflector (References 1 and 2). Once the critical configurations had been achieved, various measurements of reactivity, relative axial and radial activation rates of 235 U rates, and cadmium ratios were performed. The cadmium ratio, reactivity, and activation rate measurements performed on the critical configurations are described in Sections 1.3, 1.4 and 1.7, respectively.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗