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At least 433 records · Page 24

Plasma Reactor Modeling and Validation Experiments

Plasma processing is a key processing stop in integrated circuit manufacturing. Low pressure, high density plum reactors are widely used for etching and deposition. Inductively coupled plasma (ICP) source has become popular recently in many processing applications. In order to accelerate equipment and process design, an understanding of the physics and chemistry, particularly, plasma power coupling, plasma and processing uniformity and mechanism is important. This understanding is facilitated by comprehensive modeling and simulation as well as plasma diagnostics to provide the necessary data for model validation which are addressed in this presentation. We have developed a complete code for simulating an ICP reactor and the model consists of transport of electrons, ions, and neutrals, Poisson's equation, and Maxwell's equation along with gas flow and energy equations. Results will be presented for chlorine and fluorocarbon plasmas and compared with data from Langmuir probe, mass spectrometry and FTIR.

Meyyappan, M.↗

Rapid Composting of Crop Space Waste

This project processed multiple types of waste simulant feedstocks using commercial composting units and NASA Trash-to-Gas (TtG) technology processing units to see what solids, liquids, and gases could be recovered. The feedstock waste included inedible biomass, mission waste from the Johnson Space Center (JSC) Crew Health and Performance Exploration Analog (CHAPEA), Mars analog, and the long duration Orbital Syngas/Commodity Augmentation Reactor (OSCAR) Waste Simulant (OWS) and OSCAR Full Scale (FS) (also referred to as Mars 850-day mission waste simulant). The performance data was collected, and overall performance of the waste processing systems, as well as elemental analysis of the product yields for enabling Lunar and Martian regolith mixtures in a crop grow-out study, were performed. Germination took place in certain Lunar and Martian regolith studies, with promising preliminary results that TtG solid products can be used as plant nutrients to enable crop growth in off-world regolith simulants.

Anne Meier↗

Low energy neutrino detection with a compact water-based liquid scintillator detector

In this study, the conceptual design and physics simulations of a near-field Water-based Liquid Scintillator (WbLS) detector placed 100 m from the Akkuyu Nuclear Power Plant (ANPP), currently under construction and aiming at being Turkey’s first nuclear power plant, is presented. The ANPP is an excellent opportunity for neutrino studies and the development of an R &D program for neutrino detectors in Turkey. The Reactor Neutrino Experiments of Turkey (RNET) program includes a compact detector with a 2.5-ton volume of WbLS and a ~ 30% photo-coverage, and the program is planned to be expanded with a medium-size 30-ton detector that will be an international testbed for WbLS and new detector technologies through low energy neutrino studies. In the following, the focus will be on the smaller ~2.5 ton detector, instrumented with 8-in. high quantum efficiency PMTs and two layers of cosmic veto paddles, covering all sides of the detector, to track and veto cosmic particles. Inverse Beta Decay (IBD) events from electron anti-neutrinos generated in the reactor core are simulated using the RAT-PAC simulation package and several liquids with different percentages of Liquid Scintillator (LS) and Gadolinium (Gd) are investigated.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Sodium-Cooled Fast Reactor Reference Plant Model

This report details the progress of Idaho National Laboratory (INL) in creating a reference plant multiphysics model for the Advanced Burner Test Reactor (ABTR). This model was developed under Task 13 of the U.S. Nuclear Regulatory Commission project “Development and Modeling Support for Advanced Non-Light Water Reactors,” and is an extension of the reference plant model developed in Task 4b, which was improved upon in the following ways. (1) The discrete ordinates method was used in lieu of the super-homogenization (SPH)-corrected diffusion approximation in order to better capture the anisotropic scattering contribution and the neutron leakage change due to thermal expansion. (2) The novel neutronic spatial discretization approach, termed the ring-heterogeneous (RH) approximation, was conceptualized and introduced to capture the differential expansion of the materials in the core. This new technique proved capable of preserving fission rates and maintaining the eigenvalue within 2.5% and 266 pcm with 9 neutron energy groups, respectively. Separating the different materials in the core enables the differential expansion of materials to be explicitly accounted for, eliminating the need for problem-specific cross-section functionalization techniques. (3) The SAM model for the core and system thermal-hydraulics analysis was updated to include 61 channels instead of just four representative ones. This enables users to obtain improved spatial resolution for sodium temperature and density scalar fields. (4) All the mesh files were created via the Multiphysics Object-Oriented Simulation Environment (MOOSE) Reactor module, eliminating all reliance on external tools for mesh creation. (5) Finally, the fuel axial expansion now leverages the HT9 and UPuZr material properties that have been validated against experimental data. The reference plant model was used to perform a full-core unprotected loss of flow (ULOF) transient calculation, including neutronics, thermal and mechanical feedback mechanisms. Future work will be devoted to further enhancements of the model. Potential improvements to the model include the addition of the control rod driveline expansion feedback and the upgrading of the support plate model so as to explicitly include 3D effects. Additionally, a Nuclear Energy Advanced Modeling and Simulation funded parallel effort has completely automated the creation of the ring-heterogeneous (RH) mesh from the fully heterogeneous (FH) geometry, thus maximizing user friendliness for the sodium fast reactor sodium-cooled fast reactor (SFR) workflow and will be incorporated in future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Investigation of the irradiation effects in additively manufactured 316L steel resulting in decreased irradiation assisted stress corrosion cracking susceptibility

While additive manufacturing (AM) is an area of increasing interest to the nuclear industry, there are significant research and development needs prior to successful implementation of additively manufactured components into reactors. AM steel behaves differently than traditional wrought material, as has been observed in numerous mechanical testing studies. The nuclear industry must also understand the material response to irradiation. This work examines the irradiation damage and the irradiation assisted stress corrosion cracking behavior (IASCC) of both proton irradiated AM and wrought 316L steel. For IASCC testing, specimens were strained to 4% plastic strain in a simulated boiling water reactor environment (288°C, 0.2 µS/cm). Transmission and scanning electron microscopy, confocal microscopy, and X-ray computed tomography were used to examine coupons of the material as well as tensile bars used in the IASCC testing. This work found that the wrought 316L was more susceptible to IASCC than the AM steel, however, some IASCC was observed in the AM steel when tested with the tensile axis parallel to the build direction. Electron microscopy has shown significantly fewer radiation induced voids formed in the AM steel. While the pre-existing pore network in the AM steel may act as a sink to point defects, this is not expected to be the major factor in the reduced swelling observed in the AM steel. The lower density of radiation induced voids was expected to contribute to the IASCC resistance by decreasing the localization of deformation in the irradiated specimens, however, severity of localized deformation in AM steel, measured in dislocation channel spacing and height, was similar or more severe to that found in wrought. In conclusion, the presence of severe cracking in the wrought specimens did not allow for a direct comparison of localized deformation severities between the AM and wrought steel.

Additive manufacturing↗

Main Power Distribution Unit for the Jupiter Icy Moons Orbiter (JIMO)

Around the year 2011, the Jupiter Icy Moons Orbiter (JIMO) will be launched and on its way to orbit three of Jupiter s planet-sized moons. The mission goals for the JIMO project revolve heavily around gathering scientific data concerning ingredients we, as humans, consider essential: water, energy and necessary chemical elements. The JIM0 is an ambitious mission which will implore propulsion from an ION thruster powered by a nuclear fission reactor. Glenn Research Center is responsible for the development of the dynamic power conversion, power management and distribution, heat rejection and ION thrusters. The first test phase for the JIM0 program concerns the High Power AC Power Management and Distribution (PMAD) Test Bed. The goal of this testing is to support electrical performance verification of the power systems. The test bed will incorporate a 2kW Brayton Rotating Unit (BRU) to simulate the nuclear reactor as well as two ION thrusters. The first module of the PMAD Test Bed to be designed is the Main Power Distribution Unit (MPDU) which relays the power input to the various propulsion systems and scientific instruments. The MPDU involves circuitry design as well as mechanical design to determine the placement of the components. The MPDU consists of fourteen relays of four different variations used to convert the input power into the appropriate power output. The three phase system uses 400 Vo1ts(sub L-L) rms at 1000 Hertz. The power is relayed through the circuit and distributed to the scientific instruments, the ION thrusters and other controlled systems. The mechanical design requires the components to be positioned for easy electrical wiring as well as allowing adequate room for the main buss bars, individual circuit boards connected to each component and power supplies. To accomplish creating a suitable design, AutoCAD was used as a drafting tool. By showing a visual layout of the components, it is easy to see where there is extra room or where the components may interfere with one another. By working with the electrical engineer who is designing the circuit, the specific design requirements for the MPDU were determined and used as guidelines. Space is limited due to the size of the mounting plate therefore each component must be strategically placed. Since the MPDU is being designed to fit into a simulated model of the spacecraft systems on the JIMO, components must be positioned where they are easily accessible to be wired to the other onboard systems. Mechanical and electrical requirements provided equally important limits which are combined to produce the best possible design of the MPDU.

Papa, Melissa R.↗

Design Study for Bio-Oil Production from Biomass Using a Dual Fluidized-Bed Reactor

To evaluate the re-design and reconfiguration of a dual-fluidized bed (DFB) gasification system into a recirculating pyrolysis reactor, Computation Fluid Dynamic (CFD) simulations of the system were conducted. The Barracuda Virtual Reactor® computational particle fluid dynamic code was used to perform simulations of the pyrolysis process. Modeling of the chemical reaction kinetics for both gas phase and solid particle phase were included. The recirculating pyrolysis reactor shown in Fig. 1a is based on a bubbling-bed biomass pyrolyzer and a riser combustor to convert the remaining char. The operational differences in the re-configuration of the DFB gasification system into a recirculating pyrolysis system for the production of bio-oil are (1) replacement of a low-surface area inert bed material with a high-surface-area bed material that has acidic properties to provide catalytic activity for the production of bio-oil with reduced oxygen content, (2) lower temperature and residence time for bio-oil production from pyrolysis, (3) replacement of the fluidization gas in the bubbling bed pyrolyzer from steam to nitrogen, and (4) the reduction of pyrolyzer freeboard volume. The bed material used for catalytic pyrolysis is Sasol 300 (300-micron dia., bulk density 0.94 kg/l, and surface area 130 m2/g) and is a theta-alumina with mild acidity. This is in comparison with previous standard bed material Carbo HSP (430-micron dia., bulk density 2.01 kg/l, and surface area 0.03 m2/g) used for gasification. For bio-oil production, pyrolysis in the bubbling bed requires temperatures in the range of 550 C in comparison with gasification temperatures near 850 C. To attain this lower temperature requires management of the energy mass balances, with control of the bed material recirculation rate between bubbling bed pyrolyzer and riser combustor, the introduction of a nitrogen purge in the pyrolyzer, and adjusting the pressure balance between the two vessels. To extract bio-oil from the pyrolysis reactor with a snorkel, two different freeboard configurations were evaluated. In Fig. 1 b the existing high freeboard configuration is shown and in Fig. 1 c the reduced freeboard design is presented. The introduction of a nitrogen purge for the high free board configuration provided the highest bio-oil production from the CFD simulations. To decrease the bed-material circulation rate, primary and secondary air on the combustor side were reduced, and the pressure on the combustor was slightly increased. A portion of the biomass and bio-oil was observed to be transported to the combustor, leading to a smaller pyrolysis yield. The control of the pyrolyzer temperature is performed by controlling the circulation rate. Good fluidization of the bubbling bed and cascade PID control are required to keep the temperature from oscillating due to large time delay experienced when changing primary and secondary air. (a) (b) (c) Figure 1. (a) Dual Fluidized Bed pyrolysis system configuration, (b) mole fraction of nonpolar biooil in high freeboard configuration, and (c) mole fraction of nonpolar bio-oil in low freeboard configuration with nitrogen purge introduced in both configurations.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗

ANS MultiApps tutorial

The Multiphysics Object-Oriented Simulation Environment (MOOSE) [1] is an open-source, parallel finite element framework which provides the foundation formany advanced modeling and simulation tools developed under the Department of Energy’s (DOE’s) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program [2] for the analysis of advanced reactors. The MOOSE framework provides the common foundational capability on which many NEAMS codes for reactor analysis are built. The MOOSE framework also includes several systems to assemble unique workflows and coupling amongMOOSE-based applications. In particular, the MultiApp and Transfer systems are widely used to assemble different MOOSE-based or MOOSE- wrapped physics applications together to perform loosely or tightly coupled multiphysics simulations. The National Reactor Innovation Center’s (NRIC’s) Virtual Test Bed (VTB) [3] hosts publicly available nuclear reactor multiphysics simulation examples which leverage MOOSE’s MultiApp system to meet the modeling needs of different reactor types. The flexibility and robustness of coupling provided by MOOSE permits rapid development of coupled physics models for a wide range of reactor types and events.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A numerical and experimental analysis of reactor performance and deposition rates for CVD on monofilaments

The computational fluid dynamics (CFD) code FLUENT is adopted to simulate a cylindrical upflow reactor designed for chemical vapor deposition (CVD) on monofilaments. Equilibrium temperature profiles along the fiber and quartz reactor wall are experimentally measured and used as boundary conditions in numerical simulations. Two-dimensional axisymmetric flow and temperature fields are calculated for hydrogen and argon; the effect of free convection is assessed. The gas and surface chemistry is included for predicting silicon deposition from silane. The model predictions are compared with experimentally measured silicon CVD rates. Inferences are made for optimum conditions to obtain uniformity.

Gokoglu, S. A.↗

Machine learned interatomic potential for dispersion strengthened plasma facing components

Tungsten (W) is a material of choice for the divertor material due to its high melting temperature, thermal conductivity, and sputtering threshold. However, W has a very high brittle-to-ductile transition temperature, and at fusion reactor temperatures (≥1000 K), it may undergo recrystallization and grain growth. Dispersion-strengthening W with zirconium carbide (ZrC) can improve ductility and limit grain growth, but much of the effects of the dispersoids on microstructural evolution and thermomechanical properties at high temperatures are still unknown. We present a machine learned Spectral Neighbor Analysis Potential for W–ZrC that can now be used to study these materials. In order to construct a potential suitable for large-scale atomistic simulations at fusion reactor temperatures, it is necessary to train on ab initio data generated for a diverse set of structures, chemical environments, and temperatures. Further accuracy and stability tests of the potential were achieved using objective functions for both material properties and high temperature stability. Additionally, validation of lattice parameters, surface energies, bulk moduli, and thermal expansion is confirmed on the optimized potential. Tensile tests of W/ZrC bicrystals show that although the W(110)–ZrC(111) C-terminated bicrystal has the highest ultimate tensile strength (UTS) at room temperature, observed strength decreases with increasing temperature. At 2500 K, the terminating C layer diffuses into the W, resulting in a weaker W–Zr interface. Meanwhile, the W(110)–ZrC(111) Zr-terminated bicrystal has the highest UTS at 2500 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physics and technology considerations for the deuterium–tritium fuel cycle and conditions for tritium fuel self sufficiency

The tritium aspects of the DT fuel cycle embody some of the most challenging feasibility and attractiveness issues in the development of fusion systems. The review and analyses in this paper provide important information to understand and quantify these challenges and to define the phase space of plasma physics and fusion technology parameters and features that must guide a serious R&D in the world fusion program. We focus in particular on components, issues and R&D necessary to satisfy three 'principal requirements': (1) achieving tritium self-sufficiency within the fusion system, (2) providing a tritium inventory for the initial start-up of a fusion facility, and (3) managing the safety and biological hazards of tritium. A primary conclusion is that the physics and technology state-of-the-art will not enable DEMO and future power plants to satisfy these principal requirements. We quantify goals and define specific areas and ideas for physics and technology R&D to meet these requirements. A powerful fuel cycle dynamics model was developed to calculate time-dependent tritium inventories and flow rates in all parts and components of the fuel cycle for different ranges of parameters and physics and technology conditions. Dynamics modeling analyses show that the key parameters affecting tritium inventories, tritium start-up inventory, and tritium self-sufficiency are the tritium burn fraction in the plasma (f b ), fueling efficiency (η f ), processing time of plasma exhaust in the inner fuel cycle (t p ), reactor availability factor (AF), reserve time (tr) which determines the reserve tritium inventory needed in the storage system in order to keep the plant operational for time t r in case of any malfunction of any part of the tritium processing system, and the doubling time (t d ). Results show that η f f b > 2% and processing time of 1–4 h are required to achieve tritium self-sufficiency with reasonable confidence. For η f f b = 2% and processing time of 4 h, the tritium start-up inventory required for a 3 GW fusion reactor is ~11 kg, while it is <5 kg if η f f b = 5% and the processing time is 1 h. To achieve these stringent requirements, a serious R&D program in physics and technology is necessary. The EU-DEMO direct internal recycling concept that carries fuel directly from the plasma exhaust gas to the fueling systems without going through the isotope separation system reduces the overall processing time and tritium inventories and has positive effects on the required tritium breeding ratio (TBR R ). A significant finding is the strong dependence of tritium self-sufficiency on the reactor availability factor. Simulations show that tritium self-sufficiency is: impossible if AF < 10% for any η f f b , possible if AF > 30% and 1% ≤ η f f b ≤ 2%, and achievable with reasonable confidence if AF > 50% and η f f b > 2%. These results are of particular concern in light of the low availability factor predicted for the near-term plasma-based experimental facilities (e.g. FNSF, VNS, CTF), and can have repercussions on tritium economy in DEMO reactors as well, unless significant advancements in RAMI are made. There is a linear dependency between the tritium start-up inventory and the fusion power. The required tritium start-up inventory for a fusion facility of 100 MW fusion power is as small as 1 kg. Since fusion power plants will have large powers for better economics, it is important to maintain a 'reserve' tritium inventory in the tritium storage system to continue to fuel the plasma and avoid plant shutdown in case of malfunctions of some parts of the tritium processing lines. But our results show that a reserve time as short as 24 h leads to unacceptable reserve and start-up inventory requirements. Therefore, high reliability and fast maintainability of all components in the fuel cycle are necessary in order to avoid the need for storing reserve tritium inventory sufficient for continued fusion facility operation for more than a few hours. The physics aspects of plasma fueling, tritium burn fraction, and particle and power exhaust are highly interrelated and complex, and predictions for DEMO and power reactors are highly uncertain because of lack of experiments with burning plasma. Fueling by pellet injection on the high field side of tokamak has evolved to be the preferred method to fuel a burning plasma. Extrapolation from the DIII-D penetration scaling shows fueling efficiency expected in DEMO to be <25%, but such extrapolations are highly uncertain. The fueling efficiency of gas in a reactor relevant regime is expected to be extremely poor and not very useful for getting tritium into the core plasma efficiently. Gas fueling will nonetheless be useful for feedback control of the divertor operating parameters. Extensive modeling has been carried out to predict burn fraction, fueling requirements, and fueling efficiency for ITER, DEMO, and beyond. The fueling rate required to operate Q = 10 ITER plasmas in order to provide the required core fueling, helium exhaust and radiative divertor plasma conditions for acceptable divertor power loads was calculated. If this fueling is performed with a 50–50 DT mix, the tritium burn fraction in ITER would be ~0.36%, which is too low to satisfy the self-sufficiency conditions derived from the dynamics modeling for fusion reactors. Extrapolation to DEMO using this approach would also yield similarly low burn fraction. Extensive analysis presented shows that specific features of edge neutral dynamics in ITER and fusion reactors, which are different from present experiments, open possibilities for optimization of tritium fueling and thus to improve the burn fraction. Using only tritium in pellet fueling of the plasma core, and only deuterium for edge density, divertor power load and ELM control results in significant increase of the burn fraction to 1.8–3.6%. These estimates are performed with physics models whose results cannot be fully validated for ITER and DEMO plasma conditions since these cannot be achieved in present tokamak experiments. Thus, several uncertainties remain regarding particle transport and scenario requirements in ITER and DEMO. The safety standard requirements for protection of the public and release guidelines for tritium have been reviewed. General safety approaches including minimizing tritium inventories, reducing tritium permeation through materials, and decontaminating material for waste disposal have been suggested.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

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↗

Model Validation and Uncertainty Quantification on the KRUSTY Microreactor Design Using GRIFFIN Neutron Transport Code [Poster]

Argonne National Laboratory (ANL) and INL have developed a GRIFFIN steady state neutronics model for the multiphysics simulations of the Kilopower Reactor Using Sterling TechnologY (KRUSTY) microreactor in the Multiphysics Object Oriented Simulation Environment (MOOSE). The reliability of such deterministic neutronics models can be validated by comparing with computations from Monte Carlo codes (e.g. MCNP, SERPENT, OpenMC, Shift, etc). Furthermore, potential modeling/design improvements can be identified by incorporating uncertainty quantification (UQ), which can be performed by MOOSE’s Stochastic Tools Module (STM). KRUSTY is a prototype for a 5-kW thermal nuclear-powered space reactor. Its primary components consist of nuclear fuel, heat pipes, a control rod, a reflector, and the shielding. The fuel consists of 3 stacked U-7.65Mo cylinders with a hole in the center for the control rod. 8 liquid sodium heat pipes transfer fission energy from the solid fuel block to the Sterling power conversion system where the energy is extracted, and the cooled sodium flows back to the core via capillary action . The movable Boron Carbide control rod regulates the neutron population during startup or when a reactor temperature boost is needed . The beryllium oxide reflector is in 3 places in the reactor; it surrounds the core axially, it lies beneath the core on a platen, and it is present in the shim. The axial and lower reflectors rest on an adjustable stainless-steel platen that moves upward to cover the fuel and help the reactor reach criticality. Lastly, radial stainless steel surrounds the core offering protection from radiation exposure .

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Non-Idealities in Lab-Scale Kinetic Testing: A Theoretical Study of a Modular Temkin Reactor

The Temkin reactor can be applied for industrial relevant catalyst testing with unmodified catalyst particles. It was assumed in the literature that this reactor behaves as a cascade of continuously stirred tank reactors (CSTR). However, this assumption was based only on outlet gas composition or inert residence time distribution measurements. The present work theoretically investigates the catalytic CO2 methanation as a test case on different catalyst geometries, a sphere, and a ring, inside a single Temkin reaction chamber under isothermal conditions. Axial gas-phase species profiles from detailed computational fluid dynamics (CFD) are compared with a CSTR and 1D plug-flow reactor (PFR) model using a sophisticated microkinetic model. In addition, a 1D chemical reactor network (CRN) model was developed, and model parameters were adjusted based on the CFD simulations. Whereas the ideal reactor models overpredict the axial product concentrations, the CRN model results agree well with the CFD simulations, especially under low to medium flow rates. This study shows that complex flow patterns greatly influence species fields inside the Temkin reactor. Although residence time measurements suggest CSTR-like behavior, the reactive flow cannot be described by either a CSTR or PFR model but with the developed CRN model.

Wehinger, Gregor D. (ORCID:0000000217743391)↗

Accelerating Thermochemical Equilibrium Calculations for Nuclear Reactor Applications

Thermochemical properties play a key role in modeling and simulation of several key phenomena in nuclear reactors. There has been an increasing interest in incorporating CALPHAD-based formulations in multiphysics simulations including for Molten Salt Reactors where knowledge of phase evolution of the salt and the chemical potentials of various elements are of utmost importance in source term analyses and redox control. However, the size of such simulations is often limited by the high computational cost of full thermodynamic equilibrium calculations. This work discusses the current efforts aimed at accelerating thermochemical equilibrium calculations for multiphysics simulations performed using the open-source finite element / finite volume code Multiphysics Object Oriented Simulation Environment (MOOSE) [1]. While several methods have been proposed for accelerating phase equilibrium calculations [2], most focus on relatively small systems and often rely on a- priori knowledge of the state-space of the system. Nuclear materials, however, are often multi-component systems owing to the evolution of composition under irradiation and an approach based on a-priori mapping of phase diagram is often not enough. This work is aimed at demonstrating an on-the-fly surrogate modeling framework that uses active learning to reduce the number of full equilibrium calculations that must be performed. By combining with efficient coupling approaches, the surrogate framework helps in reducing the computational cost of thermodynamic equilibrium informed multiphysics simulations of nuclear materials. The performance is benchmarked against full coupling with the thermochemistry library Thermochimica [3]. This work uses a machine learning based approach for constructing surrogate models to predict the stable phases in a multicomponent system. The surrogates were constructed using neural networks and Gaussian process classification. In this work, we compare the relative performance of the two methods. We also demonstrate the use of caching previous calculations by interpolating the values from nearest neighbors. References [1] Lindsay, A.D., et al. "2.0 – MOOSE: Enabling massively parallel multiphysics simulation", SoftwareX, 20 (2022): 101202. [2] Roos, W.A. and Zietsman J.H. "Accelerating complex chemical equilibrium calculations – A Review", Calphad, 77 (2022): 102380. [3] Piro, M.H.A., et al. "The thermochemistry library Thermochimica", Computational Materials Science, 67 (2013): 266-272.

36 MATERIALS SCIENCE↗

Modeling Enhancements and Demonstration of Shift Capabilities for PBRs and MSRs

This technical report documents the modeling enhancements and demonstrations with the Shift Monte Carlo (MC) code targeted at pebble-bed reactors (PBRs) and molten salt reactors (MSRs) under the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in fiscal year (FY) 2023. The work performed included several enhancements, such as improvements for multigroup cross section generation, a new eigenvalue mode considering only prompt fission neutrons, and enhancements to the Titan frontend for Shift to allow for new geometry types and tally functionality. Additionally, new PBR equilibrium core search reference calculations were generated with Shift and compared to Serpent calculations provided by Idaho National Laboratory (INL). These enhancements provide a robust foundation for applying Shift for both reference and two-step neutronics analysis for advanced reactor simulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

CTF Improved Drag Model and Flow Regime Transition Criteria

The demand for accurate prediction of two-phase flow behavior in a boiling water reactor (BWR) requires a comprehensive understanding of flow regime, void fraction, heat transfer, and pressure drop. The CTF subchannel code, which is used for the Thermal/Hydraulic (T/H) solution in the Consortium for Advanced Simulation of Light Water Reactors (CASL)-developed Virtual Environment for Reactor Application (VERA) core simulator, is being further developed for BWR applications. In support of this goal, the present work highlights some of the two-phase closure model developments towards improving the CTF void fraction prediction, especially for subcooled boiling. The drift-flux approach has been well-developed for upward dispersed two-phase flows and proven to be accurate in predicting void fraction in bubbly and slug flow regimes. In this work, these kinematic constitutive relations for the drift-flux velocity have been implemented into CTF to describe the interfacial drag of bubbly flow as an alternative to the existing model for better void fraction prediction. The success of these constitutive relations also relies on a good flow regime map that accounts for flow conditions and channel geometry. A more reliable flow regime transition criteria that account for the flow condition has also been implemented in this study for modeling the flow regime transition criteria. The newly implemented models are shown to give improved void fraction predictions in comparison to experimental data.

Hizoum, Belgacem↗