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DOE OSTI2020

Physical and Thermomechanical Properties of Yttrium Hydride from Large Scale Bulk Metal Hydriding Furnace

Given the superior thermal stability and highly attainable hydrogen density, yttrium hydride is an excellent high-temperature moderator material in advanced thermal neutron spectrum reactors that require small core volumes. Yttrium hydride has been selected as the moderator material for the Transformational Challenge Reactor, which was launched at Oak Ridge National Laboratory (ORNL) in 2019. However, fabrication of large-scale crack-free yttrium hydride is challenging and very limited efforts have been committed to the characterization of bulk yttrium hydride in response to the need to establish a complete database of the thermomechanical properties of YHx. In this report, the challenges associated with fabricating large-scale crack-free yttrium hydride are discussed herein. In response to those challenges, a hydriding system was designed and constructed at ORNL and was used to successfully fabricate crack-free yttrium hydride in complex geometries at large scales. This was accomplished by precisely controlling the hydrogen’s partial pressure and the retort temperature, which was informed by the well-established thermodynamic properties of the binary H-Y system. Hydrogen content in as-fabricated hydride was determined by the weight change method and vacuum hot extraction technique, complemented by the X-ray diffraction (XRD). In addition, significant efforts are being dedicated to establishing a complete database of the thermomechanical properties of as-fabricated yttrium hydride. In FY2020, we investigated the thermophysical properties of yttrium hydrides as a function of temperature (room temperature to 700°C) and hydrogen concentration (H/Y ratio ranges from 1.52 to 1.93). The results indicate that at the temperatures below 300 °C, the hydrogen content did not have a significant influence on the thermal expansion, while the specific heat capacity, the thermal diffusivity, and the calculated thermal conductivity were slightly higher for the higher H/Y ratio. Between 300°C and 700 °C, a reversible second-order endothermic transition in all measured thermal properties was observed. It was also found that the onset temperatures of the observed transition varied, with the composition having inverse dependence on the hydrogen content. An attempt was made to explain the behavior of the thermophysical properties at higher temperatures by considering the order– disorder transition as a result of hydrogen redistribution. In addition, nanoindentation was employed to determine the elastic modulus and hardness and to capture the crystal orientation dependence of these parameters. Vickers hardness was also reported. The final section of the report introduces ongoing neutron irradiation campaign of yttrium hydride.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Initial Neutronics Investigation of a Chlorine Salt-Based Breeder Blanket

Tritium breeding blankets within D-T-fueled fusion reactors contain lithium compounds and typically require neutron multiplier materials to achieve a tritium breeding ratio (TBR) consistent with self-sustaining operation. Liquid breeder blankets have some advantages over solid blankets, and previous blanket studies have investigated liquid metal as well as liquid salt–based blankets. Liquid salts have reduced magnetohydrodynamic effects as compared to liquid metals, but typically have a lower TBR. Recently, advanced fission reactor concepts have considered chloride-based salts in their design, and there is a significant amount of research work occurring to study these salts. Chloride salts have previously been considered for fusion reactors, but studies have typically found lower breeding ratios than for fluoride salts, such as 2(LiF)-BeF 2 (flibe) so they have not been further developed. In this work, we use a one-dimensional cylindrical radiation transport model of a conceptual tokamak fusion reactor to investigate the neutronics feasibility of using a chloride salt–based blanket that uses chlorine enriched in 37 Cl, which has both a low capture cross section and a substantial (n,2n) cross section. It is found that chloride salts (LiCl mixed with BeCl 2 and/or PbCl 2 ) can potentially achieve a ~3% to 5% higher TBR than fluoride molten salts, notably flibe, in the absence of a solid multiplier. Including a solid multiplier, however, does narrow this advantage, with TBRs estimated within ~1% of flibe with a 2-cm Be multiplier. Chloride salts can also reach lower melting points than flibe, potentially improving the scope for the use of reduced activation ferritic-martensitic steel as a structural material. There is substantial uncertainty in the calculations driven by limited thermochemical data for the Cl salts, plus cross-section uncertainties. The production of 36 Cl through 35 Cl(n,g) and 37 Cl(n,2n) has the potential to challenge the waste disposal rating of the blanket. Calculations indicate that, while this is not an immediate showstopper, this case depends upon the exact waste disposal rating criteria used for 36 Cl. Further work could reduce these uncertainties with improved thermochemical data, higher-fidelity modeling for downselected salts, and more refined waste disposal calculations and regulatory guidance. Lastly, it must be recognized that, as for all molten salts, corrosion and chemistry can present appreciable technical challenges that require further assessment in developing a practical blanket concept, and also that the enrichment of chlorine presents an additional technical and supply chain challenge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Neural-network quantum states for the nuclear many-body problem

A long-standing goal of nuclear theory is to explain how the structure and dynamics of atomic nuclei and neutron-star matter emerge from the underlying interactions among protons and neutrons. Achieving this goal requires solving the nuclear quantum many-body problem with high accuracy across a wide range of length scales and density regimes. In this review, we discuss how artificial neural network representations of the nuclear many-body wave function have significantly extended the capabilities of continuum quantum Monte Carlo methods. In particular, neural network quantum states enable calculations of larger systems than were previously accessible and provide a flexible framework for capturing phenomena that challenge conventional approaches, including the emergence of nuclear clusters and superfluid phases in dense matter. We highlight recent applications to finite nuclei, infinite nuclear and neutron matter, and dynamical processes relevant to lepton-nucleus and nucleus-nucleus scattering. We also discuss conceptual and methodological connections with condensed matter physics, emphasizing developments in neural network quantum states that bridge strongly correlated systems across disciplines. Together, these developments demonstrate how neural-network methods open new avenues toward unified and accurate descriptions of nuclear structure, matter, and reactions.

Lovato, Alessandro [Argonne; TIFPA-INFN, Trento; V↗

DOE OSTI2021

Thermal loading analysis of the ring injection dump for the Spallation Neutron Source facility

The ring injection dump (RID) is the largest beam dump in the Spallation Neutron Source facility at Oak Ridge National Laboratory and accepts a fraction of the beam from the ring that is not captured in the ring during injection. Thermo-fluid modeling of the RID components was performed during the initial design by using the software ANSYS CFX to characterize the power rating for the RID. From the calculations, the power rating was lowered from 200 kW to 150 kW, at 1.3 GeV beam energy due to concerns regarding the heating of the concrete structure. The Proton Power Upgrade project scope included reevaluating the power limit to the RID in anticipation that increasing it would provide more operational flexibility. The focus was on the shielding because it was the limiting factor, and data collected from thermocouples installed on the structure were used to benchmark the analysis. A three-stage process was adopted in the latest study. First, the already existing steady-state calculations were validated and extended with the latest Monte Carlo N-Particle source term calculations. Second, transient calculations were conducted to capture the dynamic state of the system in response to the energy dumped to the RID during the following operational period of the beam from 2005–2019 (14 years), and sensitivity analyses of crucial parameters were performed to benchmark the model with reasonable accuracy. Finally, an idealized transient cycle analysis was conducted with realistic duty factors to predict the temperature distribution at higher beam powers. Overall, the results confirmed the accuracy of the original steady state model but allowed the development of a new validated transient model with higher accuracy for future analyses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Revealing the relationship between liquid fragility and medium-range order in silicate glasses

Despite decades of studies, the nature of the glass transition remains elusive. In particular, the sharpness of the dynamical arrest of a melt at the glass transition is captured by its fragility. Here, we reveal that fragility is governed by the medium-range order structure. Based on neutron-diffraction data for a series of aluminosilicate glasses, we propose a measurable structural parameter that features a strong inverse correlation with fragility, namely, the average medium-range distance (MRD). We use in-situ high-temperature neutron-scattering data to discuss the physical origin of this correlation. We argue that glasses exhibiting low MRD values present an excess of small network rings. Such rings are unstable and deform more readily with changes in temperature, which tends to increase fragility. These results reveal that the sharpness of the dynamical arrest experienced by a silicate glass at the glass transition is surprisingly encoded into the stability of rings in its network.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Gravitational-wave signature of core-collapse supernovae

Here, we calculate the gravitational-wave (GW) signatures of detailed 3D core-collapse supernova sim ulations spanning a range of massive stars. Most of the simulations are carried out to times late enough to capture more than 95% of the total GW emission. We find that the f/g-mode and f-mode of proto-neutron star oscillations carry away most of the GW power. The f-mode frequency inex orably rises as the proto-neutron star (PNS) core shrinks. We demonstrate that the GW emission is excited mostly by accretion plumes onto the PNS that energize modal oscillations and also high frequency (“haze”) emission correlated with the phase of violent accretion. The duration of the major phase of emission varies with exploding progenitor and there is a strong correlation between the total GW energy radiated and the compactness of the progenitor. Moreover, the total GW emissions vary by as much as three orders of magnitude from star to star. For black-hole formation, the GW signal tapers off slowly and does not manifest the haze seen for the exploding models. For such failed models, we also witness the emergence of a spiral shock motion that modulates the GW emission at a frequency near ~100 Hertz that slowly increases as the stalled shock sinks. We find significant angular anisotropy of both the high- and low-frequency (memory) GW emissions, though the latter have very little power.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Understanding Fission Gas Bubble Distribution and Zirconium Redistribution in Neutron-irradiated U-Zr Metallic Fuel Using Machine Learning

U-10wt.% Zr (U-10Zr) based metallic fuel is the leading candidate for next-generation sodium cooled fast reactor in United States. Currently, Idaho National Laboratory (INL) has been the leading national laboratory for research, development, and demonstration (RD&D) on metallic fuel. Advanced post-irradiation characterization will help to understand fuel microstructure and property change during irradiation, benefiting fuel qualification for commercial application. Characterization capabilities ranging from sub-nanometer to micrometer, such as scanning electron microscopy (SEM), focused ion beam (FIB) sampling, transmission electron microscopy (TEM) characterization, and local thermal conductivity microscopy (TCM), have been utilized recently on irradiated U-10Zr fuel samples to gain a better understanding of nuclear fuel microstructure and property evolution inside a reactor. The FIB/SEM coupled with energy dispersive X-ray spectroscopy (EDS) can capture the essential information to achieve better understanding of fuel behaviors. Inside a nuclear reactor, the phase and microstructure of U-10Zr is constantly changing under neutron bombardment. For example, the gaseous fission product atoms have a limited solubility inside fuel matrix and tend to precipitate out in bubble form, which not only contribute to fuel thermal conductivity degradation but also provide a shortcut for movement of fission products, i.e. lanthanides. The resultant deposition of lanthanides at the cladding inner surface will potentially trigger a chemical reaction/interaction between nuclear fuel and cladding at reactor operational conditions, threatening fuel integrity and safety. FIB/SEM coupled with EDS can provide the fission bubble information as well as probe into phase separation or Zr redistribution, which is fundamental to predict the fuel performance. With high velocity image data generating method, such as FIB/SEM, an automatic way to extract the microstructural information quantitively can better serve the needs from post irradiation characterization. A trained machine learning model, named Decision Tree, is employed to generate a bubble classifier and to categorize bubbles into three categories: isolated bubble, connected without lanthanides, and connected with lanthanides bubbles[3]. This work presents a showcase of this approach on six regions of a fuel cross-section along the radial temperature gradient. We obtained distributions of bubble categories and porosity rates along the six regions. Moreover, a secondary phase U-Zr2 was determined and found on regions 5 and 6. The secondary phase fraction was increasing from 15.61% in region 5 to 34.79% in region 6 based on this approach . This quantitative data offers insights into the lanthanide migration and potentially thermal conductivity degradation. This information from machine learning will be fed into fuel design code for better prediction of fuel performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Physical and Chemical Responses of Amidine-Containing Polymers in the Capture and Release of CO 2

Polymeric materials containing amidine motifs are of high interest due to their ability to reversibly capture and release CO 2 at ambient temperature. Here, in this study, we probe physical and chemical responses of styrene-based copolymers containing linear amidine motifs as functions of CO 2 and inert gas exposures and temperature. A copper-catalyzed azide–alkyne cycloaddition “click” reaction involving N′-propargyl-N,N-dimethylacetamidine is used to modify random copolymers, resulting in an array of linear amidine motifs along the chain backbone with the amount of CO 2 -active amidine controlled by the copolymer composition. Through thermogravimetric measurements, we demonstrate that the amidine-functionalized copolymers efficiently capture CO 2 upon exposure to a stream of CO 2 (at 27 °C) and release it at a slightly elevated temperature (50 °C) when exposed to an inert gas stream (N 2 ). In addition to displaying a maximum adsorption capacity of 22 wt % in the presence of pure CO 2 , the copolymers show composition-dependent direct air capture (DAC) behaviors. Small molecule analogs are used to definitively understand degradation via chemical hydrolysis of the amidine moiety, which leads to insolubility and a large reduction in CO 2 adsorption capacity (1.7 wt %). Neutron vibrational spectroscopy and DFT calculations confirm that CO 2 binds strongly to the amidine motif, inducing a strong bending of the CO 2 molecule from its linear geometry. The coupled insights into mechanisms and behaviors of CO 2 adsorption in amidine-functionalized polymers provides a foundation for future investigations of CO 2 -responsive polymers and soft materials to improve carbon capture and sequestration technologies.

Chun, Danielle J.↗

DOE OSTI2022

Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase

Superoxo and hydroperoxo intermediates were cryotrapped at the copper active site of lytic polysaccharide monooxygenase using neutron protein crystallography.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Charge radii of exotic potassium isotopes challenge nuclear theory and the magic character of N = 32

Nuclear charge radii are sensitive probes of different aspects of the nucleon–nucleon interaction and the bulk properties of nuclear matter, providing a stringent test and challenge for nuclear theory. Experimental evidence suggested a new magic neutron number at N = 32 in the calcium region, whereas the unexpectedly large increases in the charge radii open new questions about the evolution of nuclear size in neutron-rich systems. By combining the collinear resonance ionization spectroscopy method with β-decay detection, we were able to extend charge radii measurements of potassium isotopes beyond N = 32. Here we provide a charge radius measurement of 52 K. It does not show a signature of magic behaviour at N = 32 in potassium. The results are interpreted with two state-of-the-art nuclear theories. The coupled cluster theory reproduces the odd–even variations in charge radii but not the notable increase beyond N = 28. This rise is well captured by Fayans nuclear density functional theory, which, however, overestimates the odd–even staggering effect in charge radii. These findings highlight our limited understanding of the nuclear size of neutron-rich systems, and expose problems that are present in some of the best current models of nuclear theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Constructing Water‐Stable Porous Organic Salts via Suppressed Proton Integration Using Fluorinated Tetrazole Tectons

Porous organic salts (POSs) are an emerging class of materials with ordered ionic architectures, offering excellent proton transfer and water uptake properties. However, conventional POS synthesis via strong acid–base neutralization (e.g., ─SO₃H and ─NH₂) leads to extensive hydrogen bonding with water, compromising stability in aqueous and water-lean environments. Here, we address this challenge by designing POSs with hydrophobic porous channels and minimal hydrogen bonding formation. Our key innovation is the use of fluorinated tetrazole as a weak acid tecton and a tetra-substituted imidazole precursor devoid of active protons as the base. Single-crystal analysis and computational modeling reveal that the structural integrity of the synthesized POSs arises primarily from cation–anion interactions, with water confined as clusters in the pores, independent of hydrogen bonding with the scaffold. Robustness of the POS structure under aqueous and water-lean conditions is confirmed by X-ray and neutron scattering, as well as computational modeling, confirming preserved packing and crystal structures. The stability of POS is further demonstrated in aqueous iodine capture, with imidazolium cations and C–F functionalizations serving as strong adsorption sites. As a result, the approach developed herein further pushes the boundary of POS materials to withstand both aqueous and water-lean conditions.

Fluorinated tecton↗

DOE OSTI2023

Characterization of Mk-IV and EBR-II X441A Metallic Fuel Pins for the THOR-C-2 and THOR-M-TOP-1 Experiments: Results from Post-Transient Neutron Tomography of THOR-C-2 Capsule and Pre-transient Non-Destructive and Destructive Examination of DP 36 and DP 40 (Rev.1)

Current interest in sodium-cooled fast reactor designs, such as TerraPower’s Natrium Reactor, has highlighted the need for advanced-reactor fuel technology development. A Fuel Safety Research and Development (FSRD) program for metallic fast reactor fuels has been created to achieve comprehensive safety testing within the re-commissioned Transient Reactor Test (TREAT) facility at the Idaho National Laboratory. Despite over 60 years of metallic fuel irradiation, uncertainties exist in the performance of the fuel system, particularly under anticipated operational occurrences and severe accident scenarios. Throughout historical testing within the Experimental Breeder Reactor (EBR)-II and the Fast Flux Test Facility, fuel behavior has demonstrated benign response to transient reactor conditions; however, accurate predictions of failure thresholds rely heavily on fuel composition and irradiation history. In advancing the FSRD program, two planned transient heating experiments are at various stages of completion. The Temperature Heat sink Overpower Response (THOR)-C-2, fueled with an unirradiated Mk IV U-10Zr pin, has undergone transient irradiation in TREAT and post-transient three-dimensional neutron tomography. Additionally, pre-transient characterization of test and sibling U-19Pu-10Zr pins for THOR-M-TOP-1 was evaluated by both non-destructive and destructive methods. The test and sibling pins were selected from previously irradiated EBR-II experiment X441A. Both pins underwent visual examination, precise gamma spectrometry, two-dimensional neutron radiography, and element contact profilometry while the sibling pin was additionally subjected to sectioning and optical microscopy. THOR-C-2 radiography captured the fuel and cladding relocation during the intermediate transient at the top and bottom of the THOR capsule, allowing key features to be linked to the pin’s measured thermal response. For THOR M TOP 1, a solid baseline for steady-state behavior has been established. No anomalous features were identified in either the test or sibling pin. Defining characteristics and features were recorded for further comparisons.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Study of the Pygmy Dipole Resonance via ($d,p$) reactions

The low-lying E1 strength below, around, and partially above the neutron-separation threshold, S n , is often referred to as Pygmy Dipole Resonance (PDR). At the moment, it is not clear whether the PDR is a collective excitation mode and whether it is a general feature of the γ-ray strength function, which needs to be answered to reliably calculate capture rates for nucleosynthesis processes when using statistical Hauser-Feshbach approaches. To further understand the microscopic origin of the PDR and possible cancellation effects between isovector E1 matrix elements, which appear to be strongly model-dependant, an experimental program studying the neutron one-particle-one-hole (1p-1h) structure of the PDR via (d, p) and (d, pγ) reactions was started. Some results of the already published work will be discussed and additional remarks, including future plans, are made.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Interactions of an Imine Polymer with Nanoporous Silica and Carbon in Hybrid Adsorbents for Carbon Capture

Efficient carbon capture from stationary point sources can be achieved using hybrid adsorbents comprising nanoporous substrates coated with imine polymers. The physical properties of the CO 2 -adsorbing, nanodispersed polymers are altered by their interactions with the substrate, which in turn may impact their capture capacity. We study silica and carbon nanoporous substrates with different pore morphologies that were impregnated with polymer imine with the goal of characterizing the polymer dispersions in the pores. For silica and carbon samples, the mean densities of confined poly(ethylene imine) (PEI) were measured as functions of polymer loading and temperature using small-angle neutron scattering. Strong densification is found for imine polymers imbibed in mesoporous carbon. PEI in nanoporous silica does not experience this strong densification. At high loadings, plugs form, preferably at the pore throats, and can reduce accessible porosity. CO 2 capture measurements show that PEI interactions with the substrate play an important role. In conclusion, PEI in carbon shows the highest capture capacity at low temperatures and the lowest CO 2 adsorption at high temperatures, making it well-suited for temperature swing adsorption applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

X-ray and Neutron Reflectivity Studies of Styrene-Maleic Acid Copolymer Interactions with Galactolipid-Containing Monolayers

Styrene-maleic acid (SMA) copolymers have recently gained attention for their ability to facilitate the detergent-free solubilization of membrane protein complexes and their native boundary lipids into polymer-encapsulated, nanosized lipid particles, referred to as SMALPs. However, the interfacial interactions between SMA and lipids, which dictate the mechanism, efficiency, and selectivity of lipid and membrane protein extraction, are barely understood. Our recent finding has shown that SMA 1440, a chemical derivative of the SMA family with a functionalized butoxyethanol group, was most active in galactolipid-rich membranes, as opposed to phospholipid membranes. In the present work, we have performed X-ray reflectometry (XRR) and neutron reflectometry (NR) on the lipid monolayers at the liquid–air interface followed by the SMA copolymer adsorption. XRR and Langmuir Π–A isotherms captured the fluidifying effect of galactolipids, which allowed SMA copolymers to infiltrate easily into the lipid membranes. NR results revealed the detailed structural arrangement of SMA 1440 copolymers within the membranes and highlighted the partition of butoxyethanol group into the lipid tail region. In conclusion, this work allows us to propose a possible mechanism for the membrane solubilization by SMA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

A new moment-based general-relativistic neutrino-radiation transport code: Methods and first applications to neutron star mergers

ABSTRACT We present a new moment-based energy-integrated neutrino transport code for neutron star merger simulations in general relativity. In the merger context, ours is the first code to include Doppler effects at all orders in υ/c, retaining all non-linear neutrino–matter coupling terms. The code is validated with a stringent series of tests. We show that the inclusion of full neutrino–matter coupling terms is necessary to correctly capture the trapping of neutrinos in relativistically moving media, such as in differentially rotating merger remnants. We perform preliminary simulations proving the robustness of the scheme in simulating ab-initio mergers to black hole collapse and long-term neutron star remnants up to ${\sim }70\,$ ms. The latter is the longest dynamical space-time, 3D, general relativistic simulations with full neutrino transport to date. We compare results obtained at different resolutions and using two different closures for the moment scheme. We do not find evidences of significant out-of-thermodynamic equilibrium effects, such as bulk viscosity, on the post-merger dynamics or gravitational wave emission. Neutrino luminosities and average energies are in good agreement with theory expectations and previous simulations by other groups using similar schemes. We compare dynamical and early wind ejecta properties obtained with M1 and with our older neutrino treatment. We find that the M1 results have systematically larger proton fractions. However, the differences in the nucleosynthesis yields are modest. This work sets the basis for future detailed studies spanning a wider set of neutrino reactions, binaries, and equations of state.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Tritium diffusion and formation in the bulk and defective surface of γ-LiAlO2 pellets: First-principles investigation

In tritium-producing burnable absorber rods (TPBAR), γ-LiAlO2 is used in the form of an annular ceramic pellet enriched with the 6Li isotope. When irradiated in a pressurized water reactor (PWR), the 6Li pellets absorb neutrons and produce tritium (3H) through 6Li + n 3H + α. The 3H chemically reacts with the metal getter where it is captured and leads to formation of a metal hydride. For TPBARs to enable effective tritium production in PWRs, we investigated the 3H diffusion pathways in the bulk and surface of γ-LiAlO2 with different concentrations of lithium defects. The calculated results for bulk and low-index surfaces, thermal conductivity, 3H activation energy barriers, and the 3H diffusion coefficients in γ-LiAlO2 are in good agreement with the available experimental values. In the bulk, our results show that the smallest activation energy barrier is 0.63 eV for substitutional 3H diffusion with a diffusion coefficient of 3.25x10-12 m2/s. After 3H diffused from bulk to the surface, it could form different species (such as 3H2, 3H2O, C3H4) depending on the surface structure, vacancy types and the impurity carbon. Our results indicate that the 3H2 is the main product from γ-LiAlO2 pellets. As the number of VLi vacancies and 3H atoms increases under irradiation (3H-rich condition), 3H2O release could increase from the surface of γ-LiAlO2 pellets.

Jia, Ting↗

DOE OSTI2024

Coupled Neutronics - Thermal-Hydraulics - Thermomechanics modeling of Molten Chloride Reactor

Molten Salt Reactors (MSRs) are innovative Generation-IV nuclear reactors known for their enhanced safety features, fuel economy, and fuel cycle advancements. However, designing and studying these reactors present unique safety and modeling challenges. The Department of Energy (DOE)'s Nuclear Energy Advanced Modeling and Simulation program addresses these challenges through the development of flexible multi-fidelity, multiphysics simulation tools. This study exemplifies NEAMS tools' capabilities by modeling a chloride-based micro-MSR: Griffin for neutronics simulations, Pronghorn for thermal-hydraulics simulations, and BISON for thermomechanics simulations. These tools are integrated into a comprehensive 3D multiphysics model, successfully capturing steady-state and transient reactor operations. A loss of flow accident is examined as an illustrative example of transient behavior. Additionally, this paper contributes to demonstrating the theoretical feasibility of micro-MSR concepts, which have received less attention compared to other designs. The subsequent sections provide a brief description of the MSR concept studied, an overview of the computational tools used, and present results for both steady-state operation and a loss of flow accident.

42 - ENGINEERING↗