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At least 523 records · Page 29

Fuel Performance Modeling Plan to Support the Advance Gas Reactor Program

This report documents the current status of the fuel performance modeling initiative to support the Advanced Gas Reactor (AGR) program in the development of tristructural isotropic (TRISO) coated fuel particles. A brief summary of the modeling codes that have been developed to support TRISO modeling is included along with a summary of the behavior of fuel particles during irradiation and the modeling used to capture these effects. In addition, this report identifies further modeling and material property needs that have been identified for further development based on experience from previously performed AGR experiments. In general, the remaining activities to support fuel performance modeling for the AGR program include continued AGR experiment support for AGR-3/4 and AGR-5/6/7 as well as modeling improvements identified throughout the course of the program. These modeling improvements can be summarized as the following: Fission product transport Thermomechanical particle behavior Additional modeling needs may be identified during the processing the data collected during the AGR post-irradiation examination (PIE) campaign and may lead to further modeling improvements that are not included in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fusion Neutron Generator

The proposed code, named FROG (Fusion neutron Generator) is built upon the open-source particle transport Monte Carlo toolkit Geant4. Geant4 provides C++ classes that can be leveraged to build application-specific codes dealing with the transport of particles through matter. Geant4-based codes are applied in high-energy particle physics experiments, medical applications, shielding, and space applications for example. The FROG code allows the user to define the geometry of a neutron converter device shaped as a hollow cylinder, where a neutron breeding material such as lithium deuteride (LiD) is cladded by two concentric cylinders. Such neutron converter is then placed inside a regular nuclear fission reactor, where thermal neutrons will react with the neutron breeder material (typically, Lithium 6), and through a series of reactions, will generate high-energy neutrons – neutrons whose kinetic energy are around 14 MeV. The hollowed central portion can hold a specimen that will be bombarded by high-energy neutrons created inside the neutron breeding material. Figuratively speaking, this type of device transforms neutrons from thermal (~0.625 eV) to fusion (~14 MeV) energies and is sometimes termed “fusion-to-thermal neutron converters” in the literature. The code consists of C++ source file compiled and linked to generate an executable. The user can select the dimensions of the converter (radius, length, and thickness of the breeder material), the breeder material type, the cladding material, and the specimen material that will be activated or irradiated. As input, the neutron flux for a specific location inside a reactor, for instance, positions in ATR, is required. As output, the code predicts the number of high-energy neutrons produced, the total neutron flux and fluence as well as its detailed spectrum. The physics involved in such device is very complex, as it requires modeling neutron transport, light-ion (tritons) transport, as well as fusion reactions. The Geant4 toolkit provides the required physical models.

Martin, NicholasP. [Idaho National Laboratory (INL↗

GDSA PFLOTRAN Development (FY2021)

The Spent Fuel & Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is to develop a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2021 advances of the PFLOTRAN Development group of the SFWST Campaign. The mission of this group is to develop a geologic disposal system modeling capability for nuclear waste that can be used to probabilistically assess the performance of generic disposal concepts. In FY 2021, development proceeded along three main thrusts: software infrastructure, code performance, and process model advancement. Software infrastructure improvements included implementing an Agile software development framework and making improvements to the QA Test Suite. Code performance improvements included development of advanced linear and nonlinear solvers as well as design of flexible smoothing algorithms for capillary pressure functions. Process modeling advancements included the addition of flexible thermal conductivity function definitions and refinement of multi-continuum reactive transport to support Sandia’s participation in DECOVALEX

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Modeling Approach to Critical in the Upcoming CERBERUS Experiment

The planned Critical Experiment Reflected By coppEr to betteR Understand Scattering (CERBERUS) seeks to maximize sensitivity to elastic neutron scattering in the intermediate energy region (0.625 eV to 100 keV). It will be performed near the end of FY 2023 at the National Criticality Experiments Research Center (NCERC). Very few International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmarks are sensitive to copper in this region. Creating a benchmark sensitive in this area will make the Zeus benchmark series, an intermediate benchmark evaluation that uses a copper reflector, more useful for code and nuclear data validation. Approaching criticality in a safe manner is of utmost importance to avoid a criticality accident, which would present a safety concern and could cause damage to equipment. The two rules that are followed closely to ensure that a criticality accident does not occur are the 3/4 rule and the 1/2 rule. The 3/4 rule states that no more than 3/4 of a critical mass can be assembled by hand, and the 1/2 rule states that no more than 1/2 of the material expected to reach criticality, or 1/2 the distance needed to reach criticality, can be added before another measurement of the count rate has been taken. This work will discuss the approach to criticality as modeled in MCNP6® 1 particle transport code with the ENDF/B- VIII.0 cross-section library and the .00c data library.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Isoplethal study of phase formation and morphology in uranium-304L steel via scanning electron microscopy

Understanding the formation of uranium alloys with steel is important to advance nuclear technologies involving U metal fuels and machining U metal, and for nuclear forensics applications. No known phase diagram for the quaternary U-(M = Fe, Ni, Cr) system exists. For this work, we synthesize samples of U-304 L steel (nominal composition 70.1:18.3:10.4 at% Fe:Cr:Ni) across the U composition range 4.45—63.35 at%U by arc melting under inert conditions. Using the binary UFe phase diagram as a reference, we identify four U-steel alloy phases. We find the known U-Fe analogue phases UM 2 and U 6 M, and two low-U composition phases with nominal compositions UM 10 and U 2 M 7 . We apply a correlation length analysis to backscatter scanning electron microscopy images of sectioned and polished cross sections to quantify the domain formation length scale. We demonstrate that these depend heavily on the initial composition and range from 30 nm to 1.5 µm. This result, in particular, could be applicable to theoretical predictions of transport properties. Furthering our understanding of U alloy phase formation with important structural elements such as steel primaries is foundational in developing future nuclear technology.

36 MATERIALS SCIENCE↗

Overview of JET results for optimising ITER operation

The JET 2019–2020 scientific and technological programme exploited the results of years of concerted scientific and engineering work, including the ITER-like wall (ILW: Be wall and W divertor) installed in 2010, improved diagnostic capabilities now fully available, a major neutral beam injection upgrade providing record power in 2019–2020, and tested the technical and procedural preparation for safe operation with tritium. Research along three complementary axes yielded a wealth of new results. Firstly, the JET plasma programme delivered scenarios suitable for high fusion power and alpha particle (α) physics in the coming D–T campaign (DTE2), with record sustained neutron rates, as well as plasmas for clarifying the impact of isotope mass on plasma core, edge and plasma-wall interactions, and for ITER pre-fusion power operation. The efficacy of the newly installed shattered pellet injector for mitigating disruption forces and runaway electrons was demonstrated. Secondly, research on the consequences of long-term exposure to JET-ILW plasma was completed, with emphasis on wall damage and fuel retention, and with analyses of wall materials and dust particles that will help validate assumptions and codes for design and operation of ITER and DEMO. Thirdly, the nuclear technology programme aiming to deliver maximum technological return from operations in D, T and D–T benefited from the highest D–D neutron yield in years, securing results for validating radiation transport and activation codes, and nuclear data for ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Perspective on Scalable AI on High-Performance Computing and Leadership Class Supercomputing Facilities [Industrial and Governmental Activities]

Many scientific applications that support the mission of the US Department of Energy (US-DoE) require modeling complex engineering and/or physical systems. Here, examples of such complex systems arise from: (a) materials science to develop new compounds with exceptional mechanical and thermodynamical properties (e.g., resistance to mechanical stresses and high temperatures), (b) structural and nuclear engineering to model the temporal evolution of the structural damage of concrete shields exposed to continuous neutron and gamma radiations emitted by the nuclear reactor core, (c) urban sciences (e.g., transportation and smart buildings), and (d) power grid systems.

97 MATHEMATICS AND COMPUTING↗

Neutronics Analysis of Shielding Material Alternative to Tungsten Carbide in the FESS-FNSF Facility

Neutron transport calculations have been performed on advanced shielding materials. Metal hydrides and borohydrides were evaluated to find an alternative to tungsten carbide (WC), which is used in the in-vessel components. The study was conducted using a 22.5° sector and a detailed 360° geometry of the Fusion Energy System Studies-Fusion Nuclear Science Facility (FESS-FNSF) using OpenMC and FENDL-3.2b nuclear data library. Here, the neutronics analysis in this article was concentrated on calculating total nuclear (neutron and photon) heating at the magnet and the radiation damage of the inboard vacuum vessel (IBVV). For example, yttrium hydride (YH 2 ) and vanadium hydride (VH 2 ) showed lower radiation damage values compared to WC and other metals. Whereas alternative shielding materials did not show a significant change in the magnet nuclear heating.

36 MATERIALS SCIENCE↗

Colloid-facilitated transport of 238 Pu, 233 U and 137 Cs through fractured chalk: Laboratory experiments, modelling, and implications for nuclear waste disposal

The influence of montmorillonite colloids on the mobility of 238 Pu, 233 U and 137 Cs through a chalk fracture was investigated to assess the transport potential for radioactive waste. Radioisotopes of each element, along with the conservative tracer tritium, were injected in the presence and absence of montmorillonite colloids into a naturally fractured chalk core. In parallel, batch experiments were conducted to obtain experimental sorption coefficients (K d , mL/g) for both montmorillonite colloids and the chalk fracture material. Breakthrough curves were modelled to determine diffusivity and sorption of each radionuclide to the chalk and the colloids under advective conditions. Uranium sorbed sparingly to chalk (log K d = 0.7 ± 0.2) in batch sorption experiments. 233 U(VI) breakthrough was controlled primarily by the matrix diffusion and sorption to chalk (15 and 25% recovery with and without colloids, respectively). Cesium, in contrast, sorbed strongly to both the montmorillonite colloids and chalk (batch log K d = 3.2 ± 0.01 and 3.9 ± 0.01, respectively). The high affinity to chalk and low colloid concentrations overwhelmed any colloidal Cs transport, resulting in very low 137 Cs breakthrough (1.1–5.5% mass recovery). Batch and fracture transport results, and the associated modelling revealed that Pu migrates both as Pu (IV) sorbed to montmorillonite colloids and as dissolved Pu(V) (7% recovery). Transport experiments revealed differences in Pu(IV) and Pu(V) transport behavior that could not be quantified in simple batch experiments but are critical to effectively predict transport behavior of redox-sensitive radionuclides. Finally, a brackish groundwater solution was injected after completion of the fracture flow experiments and resulted in remobilization and recovery of 2.2% of the total sorbed radionuclides which remained in the core from previous experiments. In general, our study demonstrates consistency in sorption behavior between batch and advective fracture transport. Finally, the results suggest that colloid-facilitated radionuclide transport will enhance radionuclide migration in fractured chalk for those radionuclides with exceedingly high affinity for colloids.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Asymmetric Lattice Disorder Induced at Oxide Interfaces

Control of order-disorder phase transitions is a fundamental materials science challenge, underpinning the development of energy storage technologies such as solid oxide fuel cells and batteries, ultra-high temperature ceramics, and durable nuclear waste forms. At present, the development of promising complex oxides for these applications is hindered by a poor understanding of how interfaces affect lattice disordering processes and defect transport. Here we explore the evolution of local disorder in ion-irradiated La 2 Ti 2 O 7 /SrTiO 3 thin film heterostructures using a combination of high-resolution scanning transmission electron microscopy (STEM), position-averaged convergent beam electron diffraction (PACBED), electron energy loss spectroscopy (STEM-EELS), and ab initio theory calculations. We observe highly non-uniform lattice disordering driven by asymmetric oxygen vacancy formation across the interface. Our calculations indicate that this asymmetry results from differences in the polyhedral connectivity and vacancy formation energies of the two interface components, suggesting ways to manipulate lattice disorder in functional oxide heterostructures.

24 POWER TRANSMISSION AND DISTRIBUTION↗

U 3 Si 2 and UO 2 composites densified by spark plasma sintering for accident-tolerant fuels

This work reports the synthesis and characterization of the U 3 Si 2 and UO 2 composites sintered by spark plasma sintering (SPS) with controlled microstructures for accident-tolerant fuel application. The U 3 Si 2 and UO 2 composites with different silicide and oxide ratios were synthesized by SPS at temperatures from 1000 to 1300 °C for 5 minutes. The microstructure and phase composition of the SPS densified composite fuels were characterized with scanning electron microscopy, X-ray diffraction (XRD), and energy dispersed spectroscopy (EDS). A systematic study of the thermal and mechanical properties was conducted using microhardness testing and laser flash apparatus, along with oxidation resistance measurements using thermogravimetric analysis (TGA). The results show that the synthesis of composite fuels can be achieved with a 90% theoretical density (TD) at 1000 °C and over 95% TD when sintered at 1300 °C. XRD and EDS results confirmed that the dominant phases in the composites are U 3 Si 2 and UO 2 . Improved physical density generally leads to improved hardness, fracture toughness, thermal diffusivity, and onset temperature during the oxidation process. U 3 Si 2 was found to play a dominant role in determining the mechanical and oxidation properties of the composite fuels, whereas UO 2 had a more important impact on controlling the thermal diffusivity of the composites. The composite with 50 wt% UO 2 sintered at 1300 °C displayed the onset oxidation temperature of 500 °C by dynamic oxidation testing using TGA at a ramp degree of 10 °C/min. The composite also achieved a high fracture toughness of ~3.5 MPa m ½ . Finally, these results highlight the potential of composite fuel forms densified by SPS with simultaneously enhanced fissile element density, fracture toughness, thermal transport properties, and oxidation resistance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Overview of the Graphical User Interface for the GERMcode (GCR Event-Based Risk Model)

The descriptions of biophysical events from heavy ions are of interest in radiobiology, cancer therapy, and space exploration. The biophysical description of the passage of heavy ions in tissue and shielding materials is best described by a stochastic approach that includes both ion track structure and nuclear interactions. A new computer model called the GCR Event-based Risk Model (GERM) code was developed for the description of biophysical events from heavy ion beams at the NASA Space Radiation Laboratory (NSRL). The GERMcode calculates basic physical and biophysical quantities of high-energy protons and heavy ions that have been studied at NSRL for the purpose of simulating space radiobiological effects. For mono-energetic beams, the code evaluates the linear-energy transfer (LET), range (R), and absorption in tissue equivalent material for a given Charge (Z), Mass Number (A) and kinetic energy (E) of an ion. In addition, a set of biophysical properties are evaluated such as the Poisson distribution of ion or delta-ray hits for a specified cellular area, cell survival curves, and mutation and tumor probabilities. The GERMcode also calculates the radiation transport of the beam line for either a fixed number of user-specified depths or at multiple positions along the Bragg curve of the particle. The contributions from primary ion and nuclear secondaries are evaluated. The GERMcode accounts for the major nuclear interaction processes of importance for describing heavy ion beams, including nuclear fragmentation, elastic scattering, and knockout-cascade processes by using the quantum multiple scattering fragmentation (QMSFRG) model. The QMSFRG model has been shown to be in excellent agreement with available experimental data for nuclear fragmentation cross sections, and has been used by the GERMcode for application to thick target experiments. The GERMcode provides scientists participating in NSRL experiments with the data needed for the interpretation of their experiments, including the ability to model the beam line, the shielding of samples and sample holders, and the estimates of basic physical and biological outputs of the designed experiments. We present an overview of the GERMcode GUI, as well as providing training applications.

Kim, Myung-Hee Y.↗

Nano- to microscale three-dimensional morphology relevant to transport properties in reactive porous composite paint films

The quantitative evaluation of the three-dimensional (3D) morphology of porous composite materials is important for understanding mass transport phenomena, which further impact their functionalities and durability. Reactive porous paint materials are composites in nature and widely used in arts and technological applications. In artistic oil paintings, ambient moisture and water and organic solvents used in conservation treatments are known to trigger multiple physical and chemical degradation processes; however, there is no complete physical model that can quantitatively describe their transport in the paint films. In the present study, model oil paints with lead white (2PbCO 3 ·Pb(OH) 2 ) and zinc white (ZnO) pigments, which are frequently found in artistic oil paintings and are associated with the widespread heavy metal soap deterioration, were studied using synchrotron X-ray nano-tomography and unilateral nuclear magnetic resonance. This study aims to establish a relationship among the paints’ compositions, the 3D morphological properties and degradation. This connection is crucial for establishing reliable models that can predict transport properties of solvents used in conservation treatments and of species involved in deterioration reactions, such as soap formation.

36 MATERIALS SCIENCE↗

An analysis of propulsion options for transport of lunar materials to earth orbit

This paper describes the results of analyses of space-based transportation systems for the transport of extraterrestrial materials from their point of origin on the lunar surface to final delivery point in earth orbit and transport of equipment and supplies for extraterrestrial processing to the operational site. The emphasis has been on the use of near-term (pre-year 2000) propulsion systems, such as advanced chemical (H2, O2) and nuclear-electric systems. More exotic systems (mass drivers, nuclear-thermal rockets, etc.) were also considered to evaluate the potential to be gained by use of post-year 2000 technologies. Finally, the effects of using extraterrestrial propellants (e.g., H2 from lunar polar water-ice for chemical systems) were compared to those of propulsion systems deriving all or part of their propellants from the earth.

Frisbee, R. H.↗

Propulsion Systems Panel deliberations

The Propulsion Systems Panel was established because of the specialized nature of many of the materials and structures technology issues related to propulsion systems. This panel was co-chaired by Carmelo Bianca, MSFC, and Bob Miner, LeRC. Because of the diverse range of missions anticipated for the Space Transportation program, three distinct propulsion system types were identified in the workshop planning process: liquid propulsion systems, solid propulsion systems and nuclear electric/nuclear thermal propulsion systems.

Bianca, Carmelo J.↗

FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment (Final Report)

This report documents the FY25 Theory and Simulation Performance Target (TSPT) of developing an integrated modeling framework for fusion reactor design and assessment (FREDA). Over Q1-Q4, new capabilities were developed across both plasma and engineering domains and demonstrated on an example representation of a Compact Advanced Tokamak with a Dual Cooled Lead Lithium blanket. This represents a first-of-a-kind demonstration of coupled core-to-wall-to-engineering for a reactor. Self-consistent CESOL workflows were applied to provide core, pedestal, and SOL prediction; new modules were developed for energetic particle stability (FAR3D) and transport (TGLF-EP) analysis; and boundary plasma modeling (SOLPS-ITER, BOUT++/Hermes-3) was expanded to evaluate wall and divertor heat fluxes and interface with engineering thermal analysis. A parameterized CAD tool, TRACER, was expanded to generate medium-fidelity divertor, blanket, and coil geometries; OpenFOAM and Diablo workflows were applied for first-wall and divertor thermal analyses with helium cooling; and reduced-order models were created for high-mass-flux divertor cooling. Magnet multiphysics capabilities were verified between Elmer, Diablo, and a new MFEM-based solver, and workflows enable stress, thermal, and neutron-fluence analysis of TF coils with neutronics-driven heating. Nuclear and blanket analysis workflows were demonstrated, including tritium breeding, transport, and CFD-informed thermo-mechanical assessment. Preliminary multi-fidelity uncertainty quantification workflows were applied to boundary modeling codes and shown to achieve variance reductions with fewer high-fidelity boundary simulations. Key findings highlight the challenges of resolving the ITEP gap to find suitable balance between wall and divertor loads, neutron heating, and practical limits of PFC cooling. Next step priorities are to develop automated workflows to check boundary code convergence and detachment, implement tighter physics-engineering CAD provenance tracking, and inclusion of plasma-material interface models for SLAG and tungsten cracking behavior. Collectively, these developments establish sophisticated capabilities for predictive, multi-fidelity, whole-device modeling that integrates plasma physics, materials, magnets, and nuclear engineering to guide pathways to viable Fusion Pilot Plant design points.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Overview of the Graphical User Interface for the GERM Code (GCR Event-Based Risk Model

The descriptions of biophysical events from heavy ions are of interest in radiobiology, cancer therapy, and space exploration. The biophysical description of the passage of heavy ions in tissue and shielding materials is best described by a stochastic approach that includes both ion track structure and nuclear interactions. A new computer model called the GCR Event-based Risk Model (GERM) code was developed for the description of biophysical events from heavy ion beams at the NASA Space Radiation Laboratory (NSRL). The GERM code calculates basic physical and biophysical quantities of high-energy protons and heavy ions that have been studied at NSRL for the purpose of simulating space radiobiological effects. For mono-energetic beams, the code evaluates the linear-energy transfer (LET), range (R), and absorption in tissue equivalent material for a given Charge (Z), Mass Number (A) and kinetic energy (E) of an ion. In addition, a set of biophysical properties are evaluated such as the Poisson distribution of ion or delta-ray hits for a specified cellular area, cell survival curves, and mutation and tumor probabilities. The GERM code also calculates the radiation transport of the beam line for either a fixed number of user-specified depths or at multiple positions along the Bragg curve of the particle. The contributions from primary ion and nuclear secondaries are evaluated. The GERM code accounts for the major nuclear interaction processes of importance for describing heavy ion beams, including nuclear fragmentation, elastic scattering, and knockout-cascade processes by using the quantum multiple scattering fragmentation (QMSFRG) model. The QMSFRG model has been shown to be in excellent agreement with available experimental data for nuclear fragmentation cross sections, and has been used by the GERM code for application to thick target experiments. The GERM code provides scientists participating in NSRL experiments with the data needed for the interpretation of their experiments, including the ability to model the beam line, the shielding of samples and sample holders, and the estimates of basic physical and biological outputs of the designed experiments. We present an overview of the GERM code GUI, as well as providing training applications.

Kim, Myung-Hee↗