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DOE OSTI2024

Effect of iodides on thermal behavior and phase partitioning in LiCl-KCl

Liquid-fueled molten salt reactors (MSRs) are designed to operate with fissile materials and, ultimately, fission products dissolved in the primary molten salt coolant. Understanding the speciation and transport of iodine—a high-yield fission product—is essential because this element’s accidental release poses significant environmental concerns due to its capacity to be readily absorbed by the human thyroid gland. Here, we report the impact of iodide species (LiI and KI) on phase transitions, phase distribution, and phase stability in LiCl–KCl-eutectic salt mixtures. The study employed a combination of computational and experimental techniques, including thermodynamic FactSage calculations, differential scanning calorimetry, and high-temperature X-ray diffraction. The results indicate that the presence of iodide (10–25 wt%) significantly alters the melting behavior of the LiCl–KCleutectic system. Adding 10 wt% LiI has a more-pronounced effect than 10 wt% KI, as LiI converts to KI, leading to formation of LiCl, thereby, altering the LiCl-KCl ratio which significantly affects the melting temperature of the mixture. Furthermore, the evolution of crystalline structure, solid-fraction composition, and the dynamics of mixed-halide solid–liquid partitioning as a function of temperature indicate the potential for selective iodide separation from chloride-salt mixtures via solid–liquid separation techniques. Overall, the presented findings provide valuable insights that are beneficial for the design and operation of MSRs, as well as for the safe handling and effective processing of used nuclear fuel using advanced pyrochemical techniques.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Computing the solubility of argon and xenon in molten sodium chloride and potassium chloride salts

Molten salt reactors (MSRs) offer significant advancements in nuclear reactor safety and efficiency by operating at higher temperatures and lower pressures compared to traditional reactors. A critical aspect of MSR operation involves understanding the solubility of fission byproducts, particularly noble gases, in the molten salts used. This study employs molecular dynamics (MD) simulations to compute Henry’s law constants and enthalpies of solvation for argon and xenon in molten sodium chloride (NaCl) and potassium chloride (KCl). We developed a new pairwise potential for the noble gas and salt interactions based on first principles calculations. We then used this potential to calculate Henry’s law constants of the two gases in the molten salts, which were modeled using both a rigid ion model (RIM) and a polarizable ion model (PIM). The solubility calculations, performed using the Widom insertion method, show qualitative agreement with limited experimental data, highlighting the temperature dependence and greater solubility of both gases in KCl compared to NaCl. Additionally, free volume analysis elucidated the role of available space within the molten salts in governing solubility trends. Our findings suggest that PIM trajectories provide more reliable predictions for noble gas solubility than RIM due to their accurate density representation. Furthermore, these results enhance understanding of gas solubility in MSR environments, and the methods can be readily extended to other systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Light element ($$Z=1,2$$) production from spontaneous ternary fission of $$^{252}$$Cf

Abstract The yields of light elements ( $$Z=1,2$$ Z = 1 , 2 ) obtained from spontaneous ternary fission of $$^{252}$$ 252 Cf are treated within a nonequilibrium approach, and the contribution of unstable nuclei and excited bound states is taken into account. These light cluster yields may be used to probe dense matter, and to infer in-medium corrections such as Pauli blocking which is determined by the nucleon density. Continuum correlations are calculated from scattering phase shifts using the Beth-Uhlenbeck formula, and the effect of medium modification is estimated. The relevant distribution is reconstructed from the measured yields of isotopes. This describes the state of the nucleon system at scission and cluster formation, using only three Lagrange parameters which are the nonequilibrium counterparts of the temperature and chemical potentials, as defined in thermodynamic equilibrium. We concluded that a simple nuclear statistical equilibrium model neglecting continuum correlations and medium effects is not able to describe the measured distribution of H and He isotopes. Moreover, the freeze-out concept may serve as an important ingredient to the nonequilibrium approach using the relevant statistical operator concept.

Röpke, G.↗

DOE OSTI2026

High-Burnup LOCA Burst Susceptibility BISON Analysis in PWRs and BWRs

Accurately assessing high-burnup fuel behavior during loss-of-coolant accidents (LOCAs) is essential for understanding fuel fragmentation, relocation, and dispersal (FFRD) risks across the US light-water reactor fleet. This work updates previous Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program multiphysics LOCA analyses for a pressurized water reactor (PWR) and a boiling water reactor (BWR) by incorporating recent model and material property advancements in the BISON fuel performance code, including a high-burnup structure (HBS) model, revised cladding burst criteria, and updated thermal–mechanical correlations. This update was needed to support ongoing industry initiatives and upcoming regulatory changes. Full-core, rod-resolved operating histories generated using Virtual Environment for Reactor Analysis (VERA) and system-level LOCA conditions obtained from TRACE were applied to statistically representative rod samples in BISON to evaluate burst behavior and FFRD susceptibility. These calculations used two cladding burst correlations and three fuel pulverization models so that the predictions of these models could be compared. The updated PWR simulations show markedly improved numerical stability as the number of crashed simulations decreased by 95% compared to the previous study, and hence higher confidence in results. The updated PWR simulations predicted cladding bursts exclusively among once-burned, high-power rods, with two different cladding burst models identifying the same burst-susceptible population. Resulting FFRD susceptibility estimates are significantly reduced compared with earlier studies, driven by cooler predicted fuel and plenum temperatures, lower hoop strains, and reduced fission gas release in the updated models. In contrast, none of the BWR rods were predicted to burst under either burst criterion, reaffirming minimal BWR FFRD susceptibility even with updated HBS and material models. Comparisons between the PWR and BWR end-of-cycle predictions are made. Comparison with prior work highlights significant shifts in PWR fuel performance metrics and confirmation of earlier BWR conclusions. Overall, the updated results underscore the importance of having high-resolution detailed modeling capability and continuously integrating evolving material models and physics into high-resolution multiphysics simulations. The unified assessment presented here strengthens confidence in predicting high-burnup LOCA behavior by improving agreement between different cladding burst correlations. These results also provide an improved foundation for future BISON model development, FFRD susceptibility calculations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

FAST-1.0: A Computer Code for Thermal-Mechanical Nuclear Fuel Analysis under Steady-state and Transients: Developed under NQA-1-2017

Fuel Analysis under Steady-state and Transients (FAST) is the US Nuclear Regulatory Commission (NRC)’s computer code that calculates the steady-state and transient response of nuclear reactor fuel rods during long-term in-reactor burnup, anticipated operational occurrences (AOOs), design basis accidents (DBAs), and dry storage conditions. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: heat conduction through the fuel and other materials, heat transfer from the cladding-to-coolant, cladding elastic and plastic deformation, including creep, fuel-cladding mechanical interaction, fission gas release from the fuel, rod internal pressure and void volume, and cladding oxidation. The code contains necessary material and coolant properties, as well as clad-to-coolant heattransfer correlations, for normal operation through postulated accidents for today’s US-based light water reactor (LWR) fuel designs. FAST-1.0 also contains preliminary materials and models for new LWR fuel concepts, such as accident tolerant fuel (ATF), and non-LWR fuel concepts such as metallic fuels for sodium fast reactors (SFRs). FAST has been developed for use on Windows and Linux operating systems. This document describes FAST-1.0, which is the first official version of this code. This document is one of a series of documents on FAST; the other documents detail the material properties used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

FAST-1.1: A Computer Code for Thermal-Mechanical Nuclear Fuel Analysis under Steady-state and Transients (Developed under NQA-1-2017)

Fuel Analysis under Steady-state and Transients (FAST) is the U.S. Nuclear Regulatory Commission (NRC)’s computer code that calculates the steady-state and transient response of nuclear reactor fuel rods during long-term in-reactor burnup, anticipated operational occurrences (AOOs), design basis accidents (DBAs), and dry storage conditions. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: * heat conduction through the fuel and other materials * heat transfer from the cladding-to-coolant * cladding elastic and plastic deformation, including creep * fuel-cladding mechanical interaction * fission gas release from the fuel * rod internal pressure and void volume * cladding oxidation The code contains necessary material and coolant properties, as well as clad-to-coolant heat transfer correlations, for normal operation through postulated accidents and AOOs for today’s U.S.-based light water reactor (LWR) fuel designs. FAST-1.1 also contains preliminary materials and models for new LWR fuel concepts, such as accident tolerant fuel (ATF), and non-LWR fuel concepts such as metallic fuels for sodium fast reactors (SFRs). FAST has been developed for use on Windows and Linux operating systems. This document describes FAST-1.1 and is one of a series of documents on the code; the other documents detail the material properties used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Abatement Case Study

Radioxenon emissions from industrial sources such as fission based medical isotope production (MIP) facilities and nuclear reactors are generally known to be well below levels of public health and safety concern. However, the global background of radioxenon produced by MIP interferes with nuclear explosion monitoring by the International Monitoring System (IMS) developed for the Comprehensive Nuclear-Test-Ban Treaty (CTBT) (CTBTO, 2024). It was calculated that xenon emissions levels of 5×10 9 Bq/day 133 Xe were low enough to have minimal impact on International Monitoring System (IMS) stations (Bowyer et al, 2013). There are several technologies currently used to abate radioactive xenon emissions to meet regulatory release levels, and some alternative methods have been investigated to reduce xenon release levels well below required regulatory levels (Doll et al, 2014, Gueibe, et al, 2014). While MIP producers are sympathetic to the issue of radioxenon interference with IMS monitoring, the cost to implement and maintain additional abatement systems has resulted in limited implementation. Therefore, more cost-effective options for xenon abatement are needed to help reduce the impact of these emissions on nuclear explosion monitoring.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2023

FAST-1.2: A Computer Code for Thermal-Mechanical Nuclear Fuel Analysis under Steady-state and Transients

Fuel Analysis under Steady-state and Transients (FAST) is the U.S. Nuclear Regulatory Commission (NRC)’s computer code that calculates the steady-state and transient response of nuclear reactor fuel rods during long-term in-reactor burnup, anticipated operational occurrences (AOOs), design basis accidents (DBAs), and dry storage conditions. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: • heat conduction through the fuel and other materials • heat transfer from the cladding-to-coolant • cladding elastic and plastic deformation, including creep • fuel-cladding mechanical interaction • fission gas release from the fuel • rod internal pressure and void volume • cladding oxidation The code contains necessary material and coolant properties, as well as clad-to-coolant heat-transfer correlations, for normal operation through postulated accidents and AOOs for today’s U.S.-based light water reactor (LWR) fuel designs. FAST-1.2 also contains preliminary materials and models for new LWR fuel concepts, such as accident tolerant fuel (ATF), and non-LWR fuel concepts such as metallic fuels for sodium fast reactors (SFRs). FAST has been developed for use on Windows and Linux operating systems. This document describes FAST-1.2 and is one of a series of documents on the code; the other documents detail the material properties used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

FAST-1.2.2: A Computer Code for Thermal-Mechanical Nuclear Fuel Analysis under Steady-state and Transients

Fuel Analysis under Steady-state and Transients (FAST) is the U.S. Nuclear Regulatory Commission (NRC)’s computer code that calculates the steady-state and transient response of nuclear reactor fuel rods during long-term in-reactor burnup, anticipated operational occurrences (AOOs), design basis accidents (DBAs), and dry storage conditions. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include heat conduction through the fuel and other materials, heat transfer from the cladding-to-coolant, cladding elastic and plastic deformation (including creep), fuel-cladding mechanical interaction, fission gas release from the fuel, rod internal pressure, void volume, and cladding oxidation. The code contains necessary material and coolant properties, as well as clad-to-coolant heat transfer correlations, for normal operation through postulated accidents and AOOs for today’s U.S.-based light water reactor (LWR) fuel designs. FAST-1.2.2 also contains preliminary materials and models for new LWR fuel concepts, such as accident tolerant fuel (ATF), and non-LWR fuel concepts such as metallic fuels for sodium fast reactors (SFRs). FAST has been developed for use on Windows and Linux operating systems. This document describes FAST-1.2.2 and is one of a series of documents on the code; the other documents detail the material properties used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Consistent Nuclear Data Evaluations for Criticality Safety

Evaluations of nuclear data are based on statistical analysis of available experimental data and their uncertainties plus model calculations and their uncertainties. As the models are currently rather limited, the evaluations are heavily biassed toward experimental data, with the caveat that a thorough analysis is also required to understand possible discrepancies between data sets. Hence, as new experimental data become available, they are incorporated into the evaluation procedure. Recent measurements of the 233 U capture to fission cross section ratio at the Los Alamos Neutron Science Center have prompted a re-evaluation of the capture cross section in the resonance and fast regions up to 250 keV. We will discuss the challenges of including the new fast neutron experimental data in an evaluation that is consistent with the resonance region. We will also discuss our consistent evaluation procedure based on the Hauser-Feshbach statistical model for nuclear reactions and its application to the evaluations of 239 Pu and 139 La neutron-induced reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Improving Fission Products at CARIBU: Near Field Detection (Q1/FY24 Quarterly Progress Report)

The article on “Direct Mass Measurements to Inform the Behavior for 128mSb in Nucleosynthesis Environments” by Daniel Hoff et al., recently published in Physical Review Letters. The results of the work are a combination of an extraordinary work on precision mass measurements performed with the Canadian Penning Trap at ANL (the most precise mass measurement of the ground state and the isomeric state in 128Sb performed to date), and an extensive nucleosynthesis theory calculation that include isomers performed by the theorists at LANL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Health Physics Research Reactor Criticality Accident Alarm System Benchmark Overview [Slides]

This presentation discusses the Health Physics Research Reactor (HPRR) or Fast Burst Reactor (FBR) and how available data from Health Physics Research Reactor (HPRR) operation to can be used to create a benchmark report for inclusion in the ICSBEP, as a Criticality Accident Alarm System (CAAS) shielding benchmark. The evaluation of experimental data is also presented, specifically four experimental candidates are considered of potential value for the benchmark: 1. Neutron source estimation from a HPRR pulse (energy spectrum, fission yield), 2. Threshold Detector Unit (TDU) measurements at different distances from a HPRR pulse, shielded and unshielded, 3. Sulfur pellet activation at different distances from a HPRR pulse, shielded and unshielded, and 4. Total neutron fluence from a HPRR pulse measured by Bonner Sphere Spectrometry, shielded and unshielded. Additionally, a benchmark model overview is discussed as are sample calculation results.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2022

Analysis of near-field and far-field aerosol dispersion for microreactors

The current paper presents a simulation-based analysis of aerosol dispersion in the near-field and far-field of a generic, conceptual microreactor operating at pressures close to the ambient pressure; therefore, in the event of an accident that causes radionuclide leakage from the microreactor containment, the radionuclide particles are less likely to travel too far from the reactor, as opposed to conventional reactors. Accordingly, the presented work provides estimates of average and 95-percentile values of the relative effluent concentration. A parametric study is then performed to narrow down the parameters which affect the aerosol dispersion characteristics most significantly. Simulations were performed in the computer code ARCON96, and the parameters found to affect aerosol dispersion characteristics are the atmospheric stability class, and the distance between the release point and the receptor. It is recommended that the computer code RADTRAD be used to calculate actual dosage over distance, using the outputs from ARCON96 as inputs, along with reactor-specific core term inventories. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

A Simple Program to Estimate the Fast Modular Reactor Steady-State Closed Brayton Cycle Operating Parameters

The Fast Modular Reactor (FMR) is a gas-cooled fast reactor (GFR) that produces a net electricity output of 50 MW with helium-driven closed Brayton cycle. The power plant includes reactor system and power conversion unit (PCU). The reactor system produces fission energy that is transferred by helium flow. The PCU consists of a turbine, two compressors, and three heat exchanges. More specifically, the recuperator is a counter-flow energy recovery heat exchanger. The precooler and intercooler are the heat sinks. To analyze and understand the sensitivity of plant performance to the design parameters, a numerical program was written to calculate the plant operating parameters represented by the helium temperature, pressure, mass flow, and the heat sink temperatures. The program was developed for the steady-state operating condition. etc.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

AGC-4 As-Run Uncertainty Analysis

The concept of measuring neutron flux (or fluence rate) with activation foils has existed since the late 1940s and is a well-used methodology. Activation foils are selected for their unique isotopic cross sections that create reaction products with desirable properties: relatively simple radioactive decay scheme, measurable quantities of gamma-rays or betas, and half-lives appropriate for the irradiation and decay durations of the experiment. The activation materials, deemed flux wires, fluence wires, dosimeters, or flux foils, are fabricated to have a mass appropriate for the irradiation as well so the measurement using a radiation detector following the irradiation is sufficient but not overwhelming in terms of total activity. Activation measurement results are expressed in terms of reaction rate, which can then be used to “adjust” the neutron spectrum. The Advanced Graphite Creep (AGC)-4 experiment contained 26 flux wire packages, each containing an iron and a niobium wire inside a vanadium capsule. For all stackup positions, the value of fast to thermal neutrons is higher than expected, but the total neutron fluence is near the predicted value of ~2 x 1022 n/cm2. As compared to the predicted neutron spectrum, there are four takeaways in the results as compared to the predicted ATR irradiation: 1) Additional fast (fission) neutrons present, 2) Spectrum hardening due to temperature, 3) Spectrum hardening due to container attenuation, 4) Total neutron fluence is close to predicted values. Since the neutron energy spectrum is a key parameter when attributing neutron damage in materials, the adjusted energy-dependent spectrum and the total neutron fluence results from the dosimeters can be incorporated for future calculations.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Vacancy-driven variations in the phonon density of states of fast neutron irradiated nuclear graphite

Research examining radiation damage and its effects in graphite began in the 1940’s during the development of moderated nuclear reactors. Interest in this topic is expanding because of emerging applications associated with fullerenes and carbon nanostructures as well as its long-standing use as a fission moderator. In this work, we report the measurements of the full phonon density of states of irradiated nuclear graphite using inelastic neutron scattering experiments at room temperature. The samples were previously exposed to different levels of neutron doses and irradiation temperatures. The phonon density of states of perfect and defected graphite supercells including different configurations of vacancies and interstitials were calculated using first-principles direct method. Despite high neutron irradiation doses, the scattering measurements show that the induced damage is localized, and the layered structure is preserved. In conclusion, a comparison of the measured phonon densities of states of irradiated samples with those calculated of defected supercells indicates that the main changes observed are mainly attributed to formation of vacancies.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Postirradiation examination from separate effects irradiation testing of uranium nitride kernels and coated particles

An overview of postirradiation examination results for uranium nitride kernels and uranium nitride coated particles irradiated in the High Flux Isotope Reactor are presented. This is the first postirradiation examination of the MiniFuel irradiation vehicle that was recently developed to rapidly accumulate burnup during separate effects irradiation testing. In general, the burnup and fuel temperatures measured postirradiation were consistent with the design calculations. The burnup measured by mass spectrometry ranged from 5.9 to 10 MWd/kgU and was achieved after only 68 effective full-power days of irradiation. The dilatometric evaluation of passive silicon carbide thermometry indicated that the fuel was irradiated at temperatures ranging from 410 to 460 °C. Because the irradiation temperatures and burnup were low, the UN kernels showed minimal fission gas release that was within the range of the expected recoil (athermal) release. While it is possible to measure fuel swelling using x-ray computed tomography, the observed swelling was too small to quantify in this case. Extensive microstructural characterization of the irradiated fuel was performed in this study, and no significant irradiation induced changes were observed.

36 MATERIALS SCIENCE↗

DOE OSTI2026

On the uncertainties in helium generation predictions for fission and fusion alloys

With ongoing advances in fusion and advanced fission reactors, quantifying irradiation effects in materials is critical. Transmutation-induced helium in cladding and structural materials can drive swelling and embrittlement, thereby reducing these components’ lifespans. Yet most studies ignore the considerable uncertainties in predicting helium generation rates. In this work, we created a code wrapper, F-SCATTER, that automatically performs simulations in FISPACT-II. We used this tool to investigate potential variance in helium generation rate, or He/dpa, calculations based on deviations in alloy composition, irradiating neutron flux spectrum, computational methodology, and nuclear data sources. We used 12 wt% Cr HT9 steel as the reference case and observed a 6.5%–98.3% He/dpa spread based on compositional variation within a single chemical specification, a 1.8%–11.5% He/dpa variation upon the incorporation of a 15% artificial uncertainty in flux at each energy, and a He/dpa difference as high as 231% when using ENDF/B-VIII.0 versus TENDL-2021 data libraries. Similar results were found for other prominent iron-based alloys, including Grade 91, castable nano-structured alloy, and 316H—where additional variations exist based on reactor type (e.g. thermal, fast, or fusion) and alloying elements such as carbon, nitrogen, and nickel. Based on the simulated results, we conclude that a significant part of the heat-to-heat variability in swelling responses of Fe-based alloys can be driven by impurity content in alloy compositions, and, therefore, chemical control should be a key element in supply chain design for advanced nuclear energy systems. Furthermore, we provide critical recommendations on best practices for evaluating and reporting helium production and lattice damage rates when computing predictions with multiphysics programs such as FISPACT-II.

FISPACT-II↗