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At least 127 records · Page 7

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↗

Formation of a simple cubic antiferromagnet through charge ordering in a double Dirac material

Following the topological classification of electronic phases, interest has grown in materials with unique electronic or magnetic properties driven by topology and interactions. Here, in this study, we report that the topologically nontrivial mixed valent intermetalllic EuPd 3 S 4 undergoes long-range charge ordering at 𝑇 𝐶⁢𝑂 = 340 K wherein 𝐽 = 7/2 Eu 2+ and Van Vleck 𝐽 = 0 Eu 3+ ions on a body-centered-cubic lattice separate into two interpenetrating simple cubic sublattices. The reduced symmetry transmutes 8-fold double Dirac states into 4-fold Dirac states and leads to a simple cubic Heisenberg antiferromagnet with G-type antiferromagnetic order for 𝑇 <⁢ 𝑇 𝑁 = 2.85⁢(6) K. While time reversal symmetry is broken, its combination with nearest neighbor lattice translation can form a nonsymmorphic symmetry preserving the 4-fold Dirac point. The application of a magnetic field yields a spin flop transition at the lowest temperatures but, as a consequence of the extreme isotropy of Eu, that phase transition turns into a cross-over at higher temperatures. Our work demonstrates how charge order modifies topology in EuPd 3 S 4 and exposes an archetypal simple cubic Heisenberg antiferromagnet.

Berry, Tanya [Johns Hopkins Univ., Baltimore, MD (↗

Specific heat and gap structure of a nematic superconductor: Application to FeSe

We report the results of our in-depth analysis of spectroscopic and thermodynamic properties of a multiorbital metal, like FeSe, which first develops a nematic order and then undergoes a transition into a superconducting state, which coexists with nematicity. We analyze the angular dependence of the gap function and specific heat C v (T) of such a nematic superconductor. We specifically address three issues: (i) the angular dependence of the gap in light of the competition between the nematicity-induced s - d mixture and the orbital transmutation of low-energy excitations in the nematic state, (ii) the effect of nematicity on the magnitude of the jump of the specific heat C v (T) at T c and the temperature dependence of C v (T) below T c , and (iii) a potential transition at T c1 < T c from an s + d state to an s + e iη d state that breaks time-reversal symmetry. We consider two scenarios for a nematic order: scenario A, in which this order develops between d xz and d yz orbitals on hole and electron pockets, and scenario B, in which there is an additional component of the nematic order for d xy fermions on the two electron pockets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Revisiting constraints on asymmetric dark matter from collapse in white dwarf stars

The runaway collapse phase of a small dark matter cluster inside a white dwarf star encompasses a reversible stage, where heat can be transferred back and forth between nuclear and dark matter. Induced nuclear burning phases are stable and early carbon depletion undermines previous claims of type Ia supernova ignition. Instead, mini black holes are formed at the center of the star that either evaporate or accrete stellar material until a macroscopic sub-Chandrasekhar-mass black hole is formed. In the latter case, a 0.1 to 1 second lasting electromagnetic transient signal can be detected upon ejection of the white dwarf’s potential magnetic field. Binary systems that transmute to black holes and subsequently merge emit gravitational waves. Advanced LIGO should detect one such sub-Chandrasekhar binary black hole inspiral per year, while future Einstein telescope-like facilities will detect thousands per year. The effective spin parameter distribution is peaked at 0.2 and permits future studies to disentangle from primordial sub-Chandrasekhar black holes. Such signatures are compatible with current direct detection constraints, as well as with neutron star constraints in the case of bosonic dark matter, even though they remain in conflict with the fermionic case for part of the parameter space.

79 ASTRONOMY AND ASTROPHYSICS↗

Spin-orbit-proximitized ferromagnetic metal by monolayer transition metal dichalcogenide: Atlas of spectral functions, spin textures, and spin-orbit torques in Co/MoSe 2 , Co/WSe 2 and Co/TaSe 2 heterostructures

In this work, the heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are the principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics. The key quantity in theoretical description of these effects is nonequilibrium spin density, which can appear on any monolayer of the heterostructure through which the current is flowing as long as the monolayer bands are affected by the native or proximity induced SO coupling. Here we demonstrate how hybridization of wave functions of Co layer and a monolayer of transition metal dichalcogenides (TMDs)—such as semiconducting MoSe 2 and WSe 2 or metallic TaSe 2 —can lead to dramatic transmutation of electronic and spin structure of Co within some distance away from its interface with TMD, when compared to the bulk of Co or its surface in contact with a vacuum. This is due to proximity induced SO splitting of Co bands encoded in the spectral functions and spin textures on its monolayers, which we obtain using noncollinear density functional theory (ncDFT) combined with equilibrium Green function (GF) calculations. In fact, SO splitting is present due to structural inversion asymmetry of the bilayer—i.e., just the presence of the interface—even if SO coupling within TMD monolayer is artificially switched off in ncDFT calculations. However, switching it on makes the effects associated with proximity SO coupling within Co layer about five times larger. Injecting spin-unpolarized charge current through SO-proximitized monolayers of Co generates nonequilibrium spin density over them, so that its cross product with the magnetization of Co determines SO torque. The SO torque computed via first-principles quantum transport methodology, which combines ncDFT with nonequilibrium GF calculations, can be used as the screening parameter to identify optimal combination of materials and their interfaces for applications in spintronics. In particular, we identify heterostructure two-monolayer-Co/monolayer-WSe 2 as the most optimal one, at least in the clean limit.

2-dimensional systems↗

SEM and STEM X-ray spectrum images

This is supplemental information to a paper tentatively titled Applying Data Analytics Methods to X-ray Spectrum Images. Datasets are in the format of .h5 in the pyUSID flavor. SEM_small.h5 is 5 keV beam energy map of a TiB2 ceramic puck. SEM_large.h5 is a 20 keV map of the same sample. STEM.h5 is a STEM 200 keV map of neutron-irradiated tungsten (due to transmutation burnout, it has become a W-Re-Os alloy).

36 MATERIALS SCIENCE↗

Decay Dose Shielding Analysis with Hybrid Unstructured Mesh/Constructive Solid Geometry Monte Carlo Calculation and ADVANTG Acceleration

The Oak Ridge National Laboratory (ORNL) Second Target Station (STS) neutron production facility is an accelerator driven pulsed neutron source that is currently being actively developed at ORNL. The neutrons are produced by proton-induced spallation reactions. A proton beam of 700 kW power is delivered to a spallation target in short, less than 1 µs long pulses, with 15 Hz repetition rate. The spallation target of ORNL STS is a rotating water-cooled tungsten target with tantalum cladding housed in a stainless-steel shroud. It is divided into 21 segments. These segments become highly activated due to spallation reactions or nuclei transmutation by the emitted neutrons. The radioactive nuclides continue to decay after ceasing operation. The decay dose rates generated from the target segments once they are removed from their operational location within the core vessel must be accurately quantified to determine the shielding configurations of remote handling tools and transport casks and to aid in planning maintenance events. To determine the shielding configurations needed for an activated target segment after ceasing operation, both the hybrid unstructured mesh (UM)/constructive solid geometry (CSG) approach that was previously utilized for STS analyses [1] and the ADVANTG code [2] were used. Even though the ADVANTG code does not include UM capability, the utilization of its advanced variance reduction technique was crucial to accelerate the extremely difficult final photon transport calculation in this analysis. This paper also describes the procedures taken to mitigate the convergence issues that occur when ADVANTG uses a source definition that does not match the source of the final Monte Carlo (MC) calculation. These convergence issues often occur because of inconsistencies between source and transport biasing parameters.

Ibrahim, Ahmad↗

Continuous removal of fission products from molten-salt-fueled reactors

A method based on separation of volatilized molten salt (MS) components, including by mass, is being developed to extract fission products (FPs) from operating molten-salt reactors. The initial application of this method is for accelerator-driven subcritical reactors fueled by (fluorinated molten salt) spent nuclear fuel (UNF) from any past, present, or future reactor. The actinides remain in the subcritical reactor to produce profitable energy and be transmuted while the extracted FPs can be buried without long-lived actinides such that a geologic repository is not necessarily needed to close the nuclear fuel cycle. By removing neutron-absorbing FPs and operating sub-critically, where the restrictive link between operation and criticality is broken, it is possible to envision complete burnup of the UNF fuel. The game-changing feature of continuously processing the molten salt inside the reactor while the reactor operates eliminates the need for a separate reprocessing plant. This feature also simultaneously improves the neutronics of the reactor, increasing the burnup of the fuel and extending its useful life for generating energy. Nuclear nonproliferation and need for geologic repositories are addressed by keeping actinides inside the reactor containment until they are consumed. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Comparative study of decay heat calculations with FLUKA and MCNP/CINDER2008

In designing a high-power tungsten target, decay heat driven temperature rise in the spallation volume is a safety concern during maintenance and in loss of coolant accidents. As tungsten hydrates and becomes volatile in steam at above 800 ◦C, it is important to keep the target temperature below this threshold when active cooling is unavailable. Decay heat in a target is calculated with particle transport simulation codes combined with transmutation codes. The calculated decay heat usually differs depending on the nuclear cross sections and the decay particle transport models built in the code architecture. In this paper, we calculated decay heat of a water-cooled tungsten target using popular particle transport codes, FLUKA and MCNP6® paired with CINDER2008 and compared the results. The target-moderator-reflector (TMR) system is modeled with a water-cooled solid tungsten target, water premoderators, liquid hydrogen cold moderators and beryllium reflectors. Water-cooled stainless-steel shielding is modeled around the TMR system. The tungsten volume is clad with a thin layer of erosion/corrosion resistant material. This study provides information about the uncertainty range in decay heat prediction of high-power spallation targets for hazard analysis.

Lee, Yong Joong↗

Microstructure, Thermal, and Mechanical Properties Relationships in U and UZr Alloys (Final Report)

Uranium-zirconium (U-Zr) alloys are candidate fuel systems for transmutation based reactors that can be used to burn long-lived minor actinides and fission products in fast spectrum reactors. Metallic fuels have also been gaining more recent attention for applications as accident tolerant fuels, as well as for use in small modular reactors. This research focused on a “science-based” approach to capture the connections between U and U-Zr alloys’ three-dimensional (3-D) microstructure, thermal properties, and mechanical properties through closely coordinated experiments and modeling efforts from the unirradiated to the irradiated fuels. Advanced characterization and modeling techniques were used to understand irradiation-induced microstructural evolution and its direct impact on the thermal and mechanical properties of U and U-Zr fuel. Closely coordinated experiments and modeling were performed to provide crucial data that does not currently exist. Overall, this research spanned multiple length and time scales within the models and experiments. The scope of the research encompassed the understanding of the irradiation effects in U and various U-Zr alloys with particular attention paid to three task areas: (1) microstructural evolution, (2) in-situ/ex-situ thermal and mechanical properties, and (3) multiscale modeling connections to microstructure, thermal, and mechanical properties. This research resulted in (1) the 3-D characterization of neutron irradiated U-Zr fuel in multiple phase regions to better understand fission gas swelling and constituent redistribution, (2) development of a microstructural model linking thermal and mechanical properties via in situ Raman and nanoindentation, (3) and mesoscale phase field modeling was coupled with the AEH method in the MOOSE framework was used to calculate the effective thermal conductivities of U-Zr fuels consisting of α-U and δ-UZr 2 heterogeneous microstructures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Functional Requirements for the Modeling and Simulation of Advanced (Non-LWR) Reactor Mechanistic Source Term

A number of industry vendors are leading a resurgence in advanced reactor development. As the assurance of public safety from the accidental release of radionuclides to the environment is central to regulatory licensing and the reactor design process, the development of a mechanistic source term (MST) assessment has been identified by the advanced reactor industry as a foremost priority. In contrast to historic light-water reactor (LWR) source term analysis efforts, an MST attempts to realistically model the release and transport of radionuclides from the source to the environment for specific scenarios, while accounting for retention or transmutation phenomena and associated uncertainties. This work seeks to aid in the development of MST modeling and simulation tools by performing a preliminary identification of functional requirements for the major advanced reactor types.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

First Examination of Irradiated Fuel with Pulsed Neutrons at LANSCE (Preliminary Results)

We present preliminary results on the characterization of an irradiated U-lOZr-lPd fuel sample that was prepared from the irradiated AFC-3A-R5A sample. U-lOZr metallic fuels are researched as host materials for potential transmutation fuels and the addition of palladium strives to bind lanthanides, thus preventing fuel-cladding chemical interactions (FCCI). These interactions limit the lifetime of metallic fuels and are caused by migration of lanthanide fission products to the periphery of the fuel slug, where they start to interact with the D9 or HT9 steel cladding, ultimately leading to failure of the mechanical integrity of the cladding. Neutrons offer bulk characterization of irradiated materials for which X-ray tomography methods are not suitable due to the immense gamma background emitted from the samples. In particular pulsed neutrons provide information from the ability to resolve the neutron energy using their time-of-flight and thus the potential to utilize neutron absorption resonance to characterize the spatial distribution of isotopes. This, in turn, may allow to characterize the distribution of fission and neutron capture products non-destructively and may ultimately be applied to the bulk of an irradiation capsule prior to destructive post-irradiation examination to identify regions of interest. To allow the characterization of entire irradiation capsules, a cask is under development in the advanced post-irradiation work package at LANL and progress on this development was reported elsewhere. In parallel, an irradiated U-lOZr-lPd sample cut from the AFC-3AR5A irradiation was shipped to LANL and will be fully characterized with an NSUF funded rapid turnaround experiment (RTE) in the 2020 LANSCE run cycle. The sample emits at a dose rate of ~3R/hr on contact and is therefore manageable with remote handling, without requiring a cask. The disk-shaped material is larger than samples prepared for analysis using electron or X-ray methods and is therefore an intermediate step towards characterization of bulk samples at LANSCE. However, since it covers the full diameter of the irradiated fuel slug, some insight on redistribution of elements, spatially resolved information on microstructure, e.g. phase composition and texture, will be possible using the pulsed neutron-based methods developed for fuel characterization at LANSCE. This report describes the development of procedures to handle the sample at LANSCE as well as preliminary data and results from tests conducted in December 2019 on the energy-resolved neutron imaging (ERNI) beam line at flight path 5 and the high pressure-preferred orientation diffractometer (HIPPO) at LANSCE. This effort is a collaboration between LANL, INL, and ORNL. To compare our capabilities with prior work, we present an overview of previously reported bulk characterization of irradiated or spent fuels. The overview addresses neutron diffraction and neutron absorption resonance spectroscopy, both of which have only few reported applications on irradiated or spent nuclear fuel, as well as neutron radiography. This literature review was already described in a previous report but is repeated here to put our current efforts in context of previous work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Theory Manual for the Fuel Cycle Analysis Code REBUS

REBUS is a system of programs designed for the fuel cycle analysis of fast reactors and accelerator-driven systems. The first version of REBUS was developed in 1970 for calculating the equilibrium operating conditions of liquid metal fast breeder reactors. During the past five decades, various extensions and refinements have been made in the simulation of material motions in fuel cycle facilities and the solution of the neutronics and isotopic transmutation equations that govern the reactor behavior. The latest version complies with the standard code practices and interface dataset specifications of the committee on computer code coordination (CCCC). This report provides a detailed description of the physical processes and their mathematical models and solution methods of the current production version of REBUS. The models of the facilities and physical processes involved in fast reactor fuel cycle are first discussed. Then the mathematical formulation of these physical models is presented, followed by detailed discussions of solution methods of the resulting set of equations. Finally the output edit quantities are discussed along with their definitions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Chemical Modeling of the Capture of Radioiodine Species

Iodine is a common fission product resulting from the transmutation of uranium fuel in nuclear power reactors. The short-lived radioactive isotope, 131 I, with a half-life of around eight days, would be a particular health concern if released into the environment. Capture materials, such as activated carbon, are used routinely in nuclear power plants and medical isotope production facilities to remove this hazard during normal operations to reduce emissions to acceptable levels. Iodine, unlike other common fission products such as noble gases, is challenging because of the wide range of molecular forms and oxidation states (from +VII in IF 7 to -I in iodide) that it displays, which can interconvert both in the gas phase and in the solution phase for example. The work in this project is focused on three computational tasks. In the first, we consider the binding of iodine-containing molecules of varying oxidation states to the major component of activated carbon – pristine graphene-like sheets. The second task focused on molecular binding and possible chemical transformations resulting from the reaction of molecular iodine with chemical functional groups on the edge of the graphene sheets or surface defects in the sheet itself. The final task was associated with radiolytic breakdown of 131 I to 131 Xe in iodine containing molecules and investigated the resulting molecular fragmentation process both in the gas phase and on the graphene-like surface. For each of the tasks, the intent was to learn about the thermodynamics and kinetics of the chemical transformations and use the calculations to provide parameters for input into kinetic models describing these processes for interpretation of experimental data in future work.

07 ISOTOPE AND RADIATION SOURCES↗

Integrable optics design principles for beam halo suppression in accelerator rings at the intensity frontier

RadiaSoft LLC is collaborating with Fermilab to fundamentally advance the field of particle accelerator design, in order to reduce cost and technical risk for next-generation hadron accelerators, and to more rapidly advance the intensity frontier of high energy physics. The Fermilab PI is one of the originators of the theory of integrable nonlinear magnetic lattices. Fermilab is the only laboratory in the world pursuing the experimental verification of the theory. Transferring Fermilab expertise to RadiaSoft LLC will enhance US competitiveness by enabling US industry to engage in the design of future high intensity hadron rings for spallation sources, neutrino sources, muon sources, subcritical nuclear reactors and waste transmutation facilities.

43 PARTICLE ACCELERATORS↗

Exploring Covalency in the Actinides Using Soft Donor-Based Ligands and Metal-Ligand Multiple Bonding

Closing the fuel cycle is critical to the renaissance of nuclear energy in the United States. Essential in closing the fuel cycle is identification of separation strategies for actinides and fission products from spent fuels and identification of host matrices for storage or transmutation of fission products. These issues are intensified due to the complex nature of the problem (e.g., high radiation fields, high thermal fields, long half-lives of certain fission products). The use of extractor ligands with soft donor atoms has been demonstrated to selectively sequester actinides over their lanthanide counterparts. This has been presumed to be enhanced covalent bonding between the actinide 5f orbitals and the valence ligand-based orbitals; however, the coordination chemistry and reactivity with ligands containing selenium, tellurium, phosphorus, and arsenic are underdeveloped. Additionally, compounds containing actinide-ligand multiple bonding will be explored to examine pi-bonding with 5f orbitals. Efforts will be made to develop this chemistry with neptunium as well. This research explores the unique structure, bonding, and reactivity of the actinide elements while developing the underlying fundamental science involved in the separation of actinides.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Summary of Previous Mechanical Test Data on ODS Alloys 14YWT and OFRAC up to 1000ºC

The Nanostructured Ferritic Alloys (NFA) 14YWT and OFRAC were developed for future fission and fusion nuclear energy reactors requiring high-temperature mechanical properties that are tolerant to extreme neutron irradiation environments. The NFA contain a high concentration of Ti-, Y- and O-enriched nanoclusters (NC) and ultra-fine grains to achieve high temperature strength and creep properties and high sink strength for trapping irradiation induced point defects to minimize hardening and swelling and transmutated He atoms to form intragranular nano-size bubbles that prevent formation of coarse bubbles on grain boundaries that cause embrittlement. The mechanical properties of 14YWT and OFRAC have been acquired from tensile and creep tests conducted in the past at Oak Ridge National Laboratory. The development of 14YWT started in 2000, resulting in the production of numerous heats. Tensile properties were obtained from eleven heats of 14YWT from room temperature to 800ºC. Tensile data for the SM10 heat of 14YWT was extended to 1,000ºC. Initial development of OFRAC occurred in 2016. Tensile tests conducted from room temperature to 800ºC revealed similar properties of OFRAC with those obtained from the newer generation of 14YWT heats. The creep properties of 14YWT-SM10 evaluated using constant stress tensile and load time-to-failure tests at 800ºC showed low minimum creep rates with stresses of 200 and 100 MPa. The single time-to-failure test of 14YWT-SM10 at 800ºC and 100 MPa was terminated after 20,357 hours with no specimen failure and a low creep strain of ~0.24 %. The creep properties of OFRAC determined from strain-rate jump tests at were similar those of 14YWT-SM10. The stress exponent for 14YWT and OFRAC at 800ºC are similar and are consistent with threshold stress behavior. Since both 14YWT and OFRAC are candidates for fuel cladding in future fast reactors, several fabrication studies were recently conducted and have successfully demonstrated that thin wall tubes can be fabricated from 14YWT and OFRAC by cold pilger rolling and high precision tube rolling. The high temperature mechanical properties and feasibility of fabricating thin wall tubes make 14YWT and OFRAC candidates for application as heat pipes in advanced micro-reactors. The purpose of this report is to summarize the previously obtained tensile and creep data at temperatures up to 1000ºC for NFA 14YWT and OFRAC that have been acquired over the past 20 years at ORNL.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Domestic Safeguards Material Control and Accountancy Considerations for Molten Salt Reactors

Molten salt reactors (MSRs) are a class of nuclear reactor designs with features and operational characteristics that vary significantly more than the class of light water reactors (LWRs). MSR design concepts can be broadly categorized as solid-fueled reactors with molten salt as the coolant, liquid-fueled reactors with fuel dissolved in molten salt coolant and liquid-fueled reactors with fuel dissolved in molten salt that is contained in distinct fuel tubes with a nonfissile coolant. Proposed MSR concepts include features that are specific to each design. MSR concepts vary widely across these design features, including the physical, chemical, and isotopic composition of fresh and irradiated fuel. Operational neutron energy spectrums and breeding ratios also vary significantly across design concepts. Some concepts are burner reactors designed to transmute the spent nuclear fuel from LWRs or pressurized heavy water reactors (PHWRs), while others are breeder reactors designed to breed fissile 233 U from naturally occurring fertile 232 Th. Some MSR concepts are designed to be a part of a once-through fuel cycle, while others involve chemical separation. Those that include plans to recycle the fuel differ by whether the chemical processing would be done onsite, as a process connected to the fuel salt itself, or offsite at a reprocessing facility similar to how LWR or PHWR spent fuel is reprocessed in some countries. Each overall design concept contains various aspects of each of these features to produce a unique facility

22 GENERAL STUDIES OF NUCLEAR REACTORS↗