Results for “Nuclear structure data” — Page 66

DOE OSTI2022

Benchmark Specification for Select Experiments Conducted at the University of Wisconsin-Madison Thermal Stratification Test Facility

The Department of Energy (DOE)-Nuclear Energy University Programs (NEUP) supported the creation and operation of the Thermal Stratification Test Facility (TSTF) at the University of Wisconsin Madison (UWM) as part of a larger effort to understand thermal stratification behavior in liquid-metal-cooled reactors. The TSTF was designed to simulate transients in a reactor plenum that are known to cause thermal stratification. High-reliability and high-resolution measurements of the flow and temperature were collected for use as experimental benchmarks to support validation efforts for computational models. The results of these tests contribute to the greater understanding of thermal stratification behavior of liquid sodium under various configurations and operating conditions. The six TSTF tests selected for benchmarking are a set of forced circulation tests at a fixed flow rate with different Upper Internal Structure (UIS) configurations in the test section (no UIS, solid UIS, and a UIS with flow area of 4, 8, 12, and 100%). This report provides a complete description of the benchmark problems, including all key test facility details, descriptions of each test condition, and measured data for comparison with modeled results.

42 ENGINEERING↗

DOE OSTI2021

Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics

Nuclear quantum effects (NQEs) are known to impact a number of features associated with chemical reactivity and physicochemical properties, particularly for light atoms and at low temperatures. In the imaginary time path integral formalism, each atom is mapped onto a “ring polymer” whose spread is related to the quantum mechanical uncertainty in the particle’s position, i.e., its thermal wavelength. A number of metrics have previously been used to investigate and characterize this spread and explain effects arising from quantum delocalization, zero-point energy, and tunneling. Many of these shape metrics consider just the instantaneous structure of the ring polymers. However, given the significant interest in methods such as centroid molecular dynamics and ring polymer molecular dynamics that link the molecular dynamics of these ring polymers to real time properties, there exists significant opportunity to exploit metrics that also allow for the study of the fluctuations of the atom delocalization in time. Here we consider the ring polymer delocalization from the perspective of computational topology, specifically persistent homology, which describes the 3-dimensional arrangement of point cloud data, (i.e. atomic positions). We employ the Betti sequence probability distribution to define the ensemble of shapes adopted by the ring polymer. The Wasserstein distances of Betti sequences adjacent in time are used to characterize fluctuations in shape, where the Fourier transform and associated principal components provides added information differentiating atoms with different NQEs based on their dynamic properties. We demonstrate this methodology on two representative systems, a glassy system consisting of two atom types with dramatically different de Broglie thermal wavelengths, and ab initio molecular dynamics simulation of an aqueous 4 M HCl solution where the H-atoms are differentiated based on their participation in proton transfer reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Mechanical and durability properties of ultra-high-performance concrete of spent nuclear fuel dry storage systems: a review

Dry storage systems are used for interim storage of spent nuclear fuel (SNF). However, with the growing need to extend the operational periods of these systems, there are concerns about the degradation of their concrete overpacks, which could compromise the system's structural integrity and safety during hazardous events. Traditional concrete mixtures used in SNF dry storage systems have remained largely unchanged since their inception and often use conventional ingredients. These materials are susceptible to degradation mechanisms such as chemical attacks, alkali-silica reactions (ASR), and freeze–thaw cycles, which can lead to a loss of strength and durability over time. To address these challenges, this paper reviews the application of ultra-high-performance concrete (UHPC) as a promising alternative for spent nuclear fuel dry storage system overpacks. UHPC offers superior mechanical properties, exceptional durability, and reduced susceptibility to degradation mechanisms compared to conventional concrete. This paper focuses on the role of supplementary cementitious materials (SCMs) such as silica fume, fly ash, and metakaolin in enhancing UHPC performance for SNF storage applications. These SCMs have been shown to significantly improve the material’s microstructure, strength, and resistance to environmental stressors typically encountered in SNF storage environments. Moreover, incorporating SCMs supports sustainable construction by reducing cement consumption and associated carbon emissions. The review brings together existing research and experimental data, providing insights for engineers and researchers on developing UHPC mixtures that meet the rigorous demands of spent nuclear fuel dry storage systems, extending their service life and minimizing inspection intervals.

36 - MATERIALS SCIENCE↗

DOE OSTI2021

Proton Therapy for Breast Cancer: A Consensus Statement From the Particle Therapy Cooperative Group Breast Cancer Subcommittee

Radiation therapy plays an important role in the multidisciplinary management of breast cancer. Recent years have seen improvements in breast cancer survival and a greater appreciation of potential long-term morbidity associated with the dose and volume of irradiated organs. Proton therapy reduces the dose to nontarget structures while optimizing target coverage. However, there remain additional financial costs associated with proton therapy, despite reductions over time, and studies have yet to demonstrate that protons improve upon the treatment outcomes achieved with photon radiation therapy. There remains considerable heterogeneity in proton patient selection and techniques, and the rapid technological advances in the field have the potential to affect evidence evaluation, given the long latency period for breast cancer radiation therapy recurrence and late effects. In this consensus statement, we assess the data available to the radiation oncology community of proton therapy for breast cancer, provide expert consensus recommendations on indications and technique, and highlight ongoing trials’ cost-effectiveness analyses and key areas for future research.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2025

TMD Handbook

This handbook provides a comprehensive review of transverse-momentum-dependent parton distribution functions and fragmentation functions, commonly referred to as transverse momentum distributions (TMDs). TMDs describe the distribution of partons inside the proton and other hadrons with respect to both their longitudinal and transverse momenta. They provide unique insight into the internal momentum and spin structure of hadrons, and are a key ingredient in the description of many collider physics cross sections. Understanding TMDs requires a combination of theoretical techniques from quantum field theory, nonperturbative calculations using lattice QCD, and phenomenological analysis of experimental data. The handbook covers a wide range of topics, from theoretical foundations to experimental analyses, as well as recent developments and future directions. It is intended to provide an essential reference for researchers and graduate students interested in understanding the structure of hadrons and the dynamics of partons in high energy collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Testing and Characterization to Develop a Mechanistic Explanation for Unsaturated Drift of Fiber Optic Sensors during High-Dose Irradiation

The primary limitation for any optical fiber-based sensor for nuclear reactor applications is radiation-induced attenuation (RIA) of the transmitted and/or reflected signals. Based on several recent studies, RIA is tolerable for some fused silica optical fibers with the proper choice of sensing wavelength and fiber dopants. For extreme temperature applications (> 1000°C), sapphire optical fibers have been proposed; however, recent optical transmission measurements performed on bulk sapphire samples showed prohibitively large RIA. For some sensors, radiation-induced dimensional changes in the fiber materials can also cause significant drift. Moreover, the drift that was observed in numerous experiments performed in the High Flux Isotope Reactor (HFIR), the Advanced Test Reactor, the Massachusetts Institute of Technology Reactor, and other international facilities far exceeded what would be expected based on compaction of fused silica glass. Clearly, additional work is needed to better understand the origins of both RIA and radiation-induced drift in both silica and sapphire optical fiber-based sensors before these sensors can be reliably deployed for nuclear applications. This work evaluated the underlying mechanisms that may be responsible for RIA and drift in silica and sapphire materials. First, detailed characterization was performed on bulk fused silica glass samples that were previously irradiated to different neutron fluences at different temperatures to better understand the structural changes that drive radiation-induced drift in the absence of coating effects that are discussed later. Results show that the non-monotonic compaction that occurs with increasing neutron fluence continues up to fast neutron fluences approaching 10 22 n/cm 2 , which has important implications for physics-based models that may be used to compensate for the sensor drift. Initial Raman spectroscopy and synchrotron x-ray diffraction provide insights into the nature of the structural changes. Next, detailed characterizations were performed on silica fibers with various coatings that were subjected to several different thermal treatments. The hypothesis is that the coatings convert to carbon-rich materials that compact under irradiation, putting a large compressive strain on the fiber. Out-of-pile testing confirms that both polyimide and acrylate fiber coatings convert to glassy carbon (GC) materials when heated under inert conditions, and the degree of order (i.e., graphitization) increases with increasing temperature. The results provide increasingly strong evidence that the combination of polymeric coatings and inert (or vacuum) conditions render fiber optic sensors susceptible to significant radiation-induced drift that would not otherwise exist in uncoated fibers. Finally, transmission electron microscopy was performed on bulk sapphire samples that were irradiated to two neutron fluences at different temperatures to gain insights into the potential mechanisms driving the prohibitive RIA at higher neutron fluences and temperatures. Contrary to previous hypotheses, results show that scattering from radiation-induced voids cannot explain the observed RIA. Similarly, models for scattering losses from dislocation loops also do not agree with the experimental results. Instead, fitting to the experimental data shows that increased absorption from aluminum vacancy centers is the most likely explanation for the the prohibitively large RIA that was observed at high irradiation temperature and dose. In addition, the voids that formed in these single-crystal samples were found to align along the basal plane (a-axis) as opposed to that seen in previous observations of c-axis alignment in polycrystalline samples, which could have important implications for anisotropic swelling and other phenomena that could affect sensor performance at high neutron fluence.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Evaluation of PBR Spent Fuel Criticality and Dose Rate Compliance for Storage and Transportation

Spent tri-structural isotropic (TRISO)–based fuels have a strong track record in storage and transportation without documented incidents. This work seeks to reduce uncertainty to aid in more informed spent fuel management of TRISO-based fuels by modeling both fresh and spent pebble bed reactor (PBR) fuel and comparing the results to the regulatory standards from 10 CFR 71. SCALE was used for all modeling due to it having fast and accurate methods for handling PBR fuel modeling, as well as having an efficient method for shielding calculations in monaco with automated variance reduction using importance calculations (MAVRIC), which utilizes the consistent adjoint-driven importance sampling (CADIS) and the forward-weighted consistent adjoint-driven importance sampling (FW-CADIS) methods. KENO-VI was used for all criticality calculations, TSUNAMI was used for uncertainty quantification on k-effective, TRITON and the Oak Ridge isotope generation code (ORIGEN) were both used for depletion of the fuel, and MAVRIC was used for shielding calculations. For criticality assessments, this study focused on the requirement that the value of the neutron multiplication factor, k-effective (k-eff), would not exceed a peak value of 0.95, including uncertainty, with 95% confidence. Criticality was initially examined by modeling fresh fuel from three different designs—HTR-10 fuel, PBMR-400 fuel, and demonstration fuel representative of a TRISO-fueled modern high-temperature gas reactor (HTGR) design, henceforth referred to as Demo HTGR—and placing them into various sized containers with conditions described in 10 CFR 71 to quantify the peak k-eff state. When the peak value of 0.95 k-eff was exceeded, mitigation methods were examined in those scenarios. Burnup credit, pebble displacement in areas of strong neutron multiplication, and random pebble replacement using pebbles of various compositions and replacement fractions were examined. In summary, the criticality of PBR fuels can be well accounted for by restricting container size, taking credit for burnup, or by displacing/replacing pebbles. Uncertainty of the k-eff due to nuclear data uncertainties was recorded at ~0.6644%Δk/k, or roughly 664% mil (pcm). The nuclear data–induced uncertainty was relatively small and should not require significant modification in the design to be accounted for. Revisions to the evaluated nuclear data file values have been shown to have a larger impact than nuclear data–induced uncertainty. For dose rate aspects, U.S. Nuclear Regulatory Commission regulations require a maximum dose rate of 10 millirem per hour (mrem/h) at 2 meters. In examining the dose rate behavior of spent PBR fuel, the representative Demo HTGR fuel was modeled exclusively due to it possessing the highest target burnup of the examined fuels. Equilibrium cycle modeling methods were used to produce a higher-fidelity discharge isotopic composition than simple assumptions, such as reflected pebbles. The discharge composition was used as a source term in the fixed-source transport shielding calculations, and dose rates were calculated at 2 m for the shortest possible cooling time. The low concentration of fuel material led to dose rates that were in line with regulatory limits, despite the high burnup when compared to traditional light water reactor fuels. In conclusion, the methods employed in this study would require more work to further verify and validate and are limited to the criticality and dose rate analyses performed.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

November 2019 Initial Deployment of LiDAR in the H-Canyon Exhaust Tunnel

The H-Canyon Exhaust Tunnel (CAEX) structure is periodically inspected under the Structural Integrity Program using camera equipped crawlers or poles to remotely perform visual inspections. To explore the use of enhanced inspection methods a “Proof of Concept” using the Light Detection and Ranging (LiDAR) technology was performed over a 2-day period in November 2019. The purpose of the “Proof of Concept” deployment was to confirm whether a commercially available LiDAR unit could successfully operate and remotely transmit data from the tunnel CAEX environment and whether the data would provide quantitative information to establish baseline measurements. The LiDAR performance requirement was a measurement accuracy of ± 0.25-inches over a 30-foot distance. This report documents the work activities leading to the deployment, the deployment and processing of data, lessons learned from the deployment and the post data processing methods that will be applied to future deployments.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Testing and Characterization to Develop a Mechanistic Explanation for Unsaturated Drift of Fiber Optic Sensors during High-Dose Irradiation

The primary limitation for any optical fiber-based sensor for nuclear reactor applications is radiation-induced attenuation (RIA) of the transmitted and/or reflected signals. Based on several recent studies, RIA is tolerable for some fused silica optical fibers with the proper choice of sensing wavelength and fiber dopants. For extreme temperature applications (> 1000°C), sapphire optical fibers have been proposed; however, recent optical transmission measurements performed on bulk sapphire samples showed prohibitively large RIA. For some sensors, radiation-induced dimensional changes in the fiber materials can also cause significant drift. Moreover, the drift that was observed in numerous experiments performed in the High Flux Isotope Reactor (HFIR), the Advanced Test Reactor, the Massachusetts Institute of Technology Reactor, and other international facilities far exceeded what would be expected based on compaction of fused silica glass. Clearly, additional work is needed to better understand the origins of both RIA and radiation-induced drift in both silica and sapphire optical fiber-based sensors before these sensors can be reliably deployed for nuclear applications. This work evaluated the underlying mechanisms that may be responsible for RIA and drift in silica and sapphire materials. First, detailed characterization was performed on bulk fused silica glass samples that were previously irradiated to different neutron fluences at different temperatures to better understand the structural changes that drive radiation-induced drift in the absence of coating effects that are discussed later. Results show that the non-monotonic compaction that occurs with increasing neutron fluence continues up to fast neutron fluences approaching 10 22 n/cm 2 , which has important implications for physics-based models that may be used to compensate for the sensor drift. Initial Raman spectroscopy and synchrotron x-ray diffraction provide insights into the nature of the structural changes. Next, detailed characterizations were performed on silica fibers with various coatings that were subjected to several different thermal treatments. The hypothesis is that the coatings convert to carbon-rich materials that compact under irradiation, putting a large compressive strain on the fiber. Out-of-pile testing confirms that both polyimide and acrylate fiber coatings convert to glassy carbon (GC) materials when heated under inert conditions, and the degree of order (i.e., graphitization) increases with increasing temperature. The results provide increasingly strong evidence that the combination of polymeric coatings and inert (or vacuum) conditions render fiber optic sensors susceptible to significant radiation-induced drift that would not otherwise exist in uncoated fibers. Finally, transmission electron microscopy was performed on bulk sapphire samples that were irradiated to two neutron fluences at different temperatures to gain insights into the potential mechanisms driving the prohibitive RIA at higher neutron fluences and temperatures. Contrary to previous hypotheses, results show that scattering from radiation-induced voids cannot explain the observed RIA. Similarly, models for scattering losses from dislocation loops also do not agree with the experimental results. Instead, fitting to the experimental data shows that increased absorption from aluminum vacancy centers is the most likely explanation for the the prohibitively large RIA that was observed at high irradiation temperature and dose. In addition, the voids that formed in these single-crystal samples were found to align along the basal plane (a-axis) as opposed to that seen in previous observations of c-axis alignment in polycrystalline samples, which could have important implications for anisotropic swelling and other phenomena that could affect sensor performance at high neutron fluence.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

𝛽 decay of 36 Mg and 36 Al: Identification of a 𝛽-decaying isomer in 36 Al

The level structure of 36 Al has been studied via 𝛽 decay of 36 Mg at the Facility for Rare Isotope Beams (FRIB) and the National Superconducting Cyclotron Laboratory (NSCL). A long-lived isomer in 36 Al was identified which decays by 𝛽 to an excited state of 36 Si. The ground state and the isomeric state of 36 Al were found to populate different energy levels of 36 Si. Furthermore, the results from the two data sets in the present work complement each other. Configuration interaction calculations performed with the FSU shell-model Hamiltonians provide reasonable descriptions to the experimental observations and offer insight into future improvements of the theoretical interpretation.

20 ≤ A ≤ 38↗

DOE OSTI2020

Integrated hydrogeophysical modelling and data assimilation for geoelectrical leak detection

Time-lapse electrical resistivity tomography (ERT) measurements provide indirect observations of hydrological processes in the Earth's shallow subsurface at high spatial and temporal resolution. ERT has been used in the past decades to detect leaks and monitor the evolution of associated contaminant plumes. Specifically, inverted resistivity images allow visualization of the dynamic changes in the structure of the plume. However, existing methods do not allow the direct estimation of leak parameters (e.g. leak rate, location, etc.) and their uncertainties. We propose an ensemble-based data assimilation framework that evaluates proposed hydrological models against observed time-lapse ERT measurements without directly inverting for the resistivities. Each proposed hydrological model is run through the parallel coupled hydro-geophysical simulation code PFLOTRAN-E4D to obtain simulated ERT measurements. The ensemble of model proposals is then updated using an iterative ensemble smoother. In this paper, we demonstrate the proposed framework on synthetic and field ERT data from controlled tracer injection experiments. Our results show that the approach allows joint identification of contaminant source location, initial release time, and solute loading from the cross-borehole time-lapse ERT data, alongside with an assessment of uncertainties in these estimates. We demonstrate a reduction in site-wide uncertainty by comparing the prior and posterior plume mass discharges at a selected image plane. This framework is particularly attractive to sites that have previously undergone extensive geological investigation (e.g., nuclear sites). It is well suited to complement ERT imaging and we discuss practical issues in its application to field problems.

58 GEOSCIENCES↗

DOE OSTI2026

Utilization of Unmanned Aircraft Systems for Environmental Purposes at the Savannah River Site – 26578

Born in the 1950s, the Savannah River Plant was constructed as a plutonium and tritium production plant. As the Cold War era came and went, a change of direction was signaled when the name of the facility changed from Savannah River Plant to Savannah River Site (1989) – the main mission at Savannah River shifted from “production” to “cleanup.” The Department of Energy is responsible for managing the 310 square miles of land that is the Savannah River Site and the cleanup/remediation activities that occur. The Savannah River National Laboratory utilizes unmanned aircraft systems to assist with some of those environmental monitoring and remediation activities. One function of unmanned aircraft systems at the Savannah River National Laboratory is conducting aerial photography and videography. Various infrastructure evaluations have been performed with unmanned aircraft – facility rooftop inspections, water tower lock verifications, earthen dam surveys, etc. An unmanned aircraft system has been used for progress footage of remediation projects – Dunbarton Bay remediation, Saltstone Disposal Unit construction, etc. Thermal cameras on an unmanned aircraft system are used to help identify cracks/leaks in structures from vantage points not readily accessible by personnel. Virtual tours of different waste units are conducted with unmanned aircraft systems for Site groups and federal/state regulators to save costs and travel time. Additionally, advanced remote sensing technologies are used on unmanned aircraft systems at the Savannah River Site. Light Detection and Ranging uses laser pulses to measure distances to the Earth's surface or other targets to create highly detailed topographic maps that accurately portray terrain (e.g., elevation changes, slopes, and contours). Data collection with a Light Detection and Ranging unit mounted on an unmanned aircraft system is quick and efficient – large-area surveys are conducted in shorter time frames. Because Light Detection and Ranging can penetrate through foliage and vegetation to ground level, it is being used in conjunction with a watershed model to study the General Separations Area of the Site to determine stormwater flow volume and direction, monitor stream stability, and forecast river flow behavior. A hyperspectral camera captures a wide spectrum of electromagnetic wavelengths across numerous narrow bands, beyond what the human eye can see. It provides detailed spectral information about the objects or surfaces in an image, which can be used to identify and analyze materials based on their spectral signatures. A hyperspectral camera mounted on an unmanned aircraft system has been used at the Savannah River Site for non-destructive evaluation of concrete and concrete structures. Unmanned aircraft systems at the Savannah River Site are also used for the application of herbicide on identified rooftops. P-Reactor and R-Reactor are entombed nuclear reactors at the Savannah River Site. Unwanted vegetation is often present on these rooftops – over time roots can penetrate seams, cracks, and joints of the general roof and concrete caps, leading to water ingress and deterioration of the structural components. For time and cost efficiencies as well as in the interest of personnel safety, an unmanned aircraft is used to dispense herbicide on rooftop areas where vegetation is noticed to help alleviate the issues/hazards.

Lorier, Troy [Savannah River National Laboratory (↗

DOE OSTI2020

An Initial Assessment of the Design Margins of Different ASME Section III, Division 5 Design Rules

This report develops a method for assessing the design margin of the ASME Section III, Division 5 Class A design rules, focusing on a definition of margin as the ratio between the actual, expected component life and the ASME design life. Full inelastic finite element simulations with a complete damage model capturing the available creep, creep-fatigue, fatigue, and tension test failure data produce the expected component lives, which can then be compared to corresponding ASME design calculations. The focus of this particular work is on Alloy 617 and the ASME creep-fatigue design rules, but the approach is general and could be applied to other design limits and to other materials. A margin assessment of a representative Alloy 617 component shows the ASME creep-fatigue design rules applied to this component have a margin of 10 on design life. The report describes several challenges in completing a more comprehensive margin assessment of the ASME rules, in particular challenges in developing probabilistic assessment methods for high temperature structural components. The report details these challenge and discusses the immediate possibilities of the deterministic margin assessment method developed here.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Persistent radicals in irradiated imidazolium ionic liquids probed by EPR spectroscopy

Long-lived radicals were observed in irradiated room temperature ionic liquids (RTILs) composed of the bis(trifluoromethylsulfonyl)imide anion (Tf 2 N - ) with 1-hexyl-3-methylimidazolium (hmim + ) and1-butyl-3-methylimidazolium (bmim+) cations. The EPR signal intensity increases within hours and the spectral pattern changes during the time after irradiation. The kinetics data obtained indicate the existence of at least two distinct radical cations that have different formation and decay rates. We demonstrate that oxygen does not react rapidly with the radical species formed. The bmim + Tf 2 N - was selectively deuterated at various positions which allowed us to suggest possible structures of the stable radicals formed. The first structure is a radical cation containing 2 nitrogens and 6 protons all with ca. 8.2 Gauss hyperfine splittings, and 2 protons with 2.8 Gauss splitting. The structure of the second radical cation is similar, but characterized by an odd number of hydrogens with ca. 8.2 Gauss splitting. Extensive quantum chemistry calculations were performed to attempt to identify the structure of these persistent radicals. The most likely candidates are imidazole radical cations having methyl groups at the nitrogen atoms and substituents in the second position of the imidazole ring.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2025

Search for heavy pseudoscalar and scalar bosons decaying to a top quark pair in proton–proton collisions at $\sqrt{s}$ = 13 TeV

A search for pseudoscalar or scalar bosons decaying to a top quark pair ($\textrm{t}$$\bar{\textrm{t}}$) in final states with one or two charged leptons is presented. The analyzed proton–proton collision data was recorded at $\sqrt{s}$ = 13 TeV by the CMS experiment at the CERN LHC and corresponds to an integrated luminosity of 138 fb -1 . The invariant mass $m_{{\textrm{t}}{\bar{\textrm{t}}}}$ of the reconstructed $\textrm{t}$$\bar{\textrm{t}}$ system and variables sensitive to its spin and parity are used to discriminate against the standard model background. Interference between pseudoscalar or scalar boson production and the standard model $\textrm{t}$$\bar{\textrm{t}}$ continuum is included, leading to peak-dip structures in the $m_{{\textrm{t}}{\bar{\textrm{t}}}}$ distribution. An excess of the data above the background prediction, based on perturbative quantum chromodynamics (QCD) calculations, is observed near the kinematic $\textrm{t}$$\bar{\textrm{t}}$ production threshold, while good agreement is found for high $m_{{\textrm{t}}{\bar{\textrm{t}}}}$. The data are consistent with the background prediction if the contribution from a simplified model of a color-singlet $^1\textrm{S}^{|1|}_0$ ${{\textrm{t}}{\bar{\textrm{t}}}}$ quasi-bound state $η_{\textrm{t}}$, inspired by nonrelativistic QCD, is added. Upper limits at 95% confidence level are set on the coupling between the pseudoscalar or scalar bosons and the top quark for boson masses in the range 365–1000 GeV, relative widths between 0.5% and 25%, and two background scenarios with or without $η_{\textrm{t}}$ contribution.

CMS↗

DOE OSTI2022

Sensitivity analysis of small modular reactor mPower with ATHLET

Small modular reactor (SMR) possesses the characteristics of less radioactive source term, simpler structure, modular design and features like passive safety as well as low risk of proliferation. Developed and designed by Babcock and Wilcox, the mPower reactor is one of pronouncing small modular reactors that adopts the integrated design of the pressurized water reactor, steam generator and a built-in internal control rod drive mechanism. In this paper, the code ATHLET (Analysis of fossil-hydraulics of Leaks and Transients) is used to model the mPower reactor. At the same time, the sensitivity analysis of the core structure and geometric parameters of the pipeline loop, as well as the steady-state simulation and post-exothermic simulation are carried out depending on the given scenarios. In addition, the sensitivity analysis of pressure, temperature and mass flow in the secondary loop is performed. The results of this study will mitigate some of the frequent misunderstanding in the field and will help to better understand the design of SMR and provide basic research data for further research. However, there are limitations in the current research. Considering that the mPower is still in the conceptual design, the established model is only based on the limited public data while detailed parameters are still in myth, which leads to certain level of uncertainties in the calculation. Besides, the research is mainly on the influence of sensitivity analysis under steady state conditions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Understanding Lithium Local Environments in LiMn 0.5 Ni 0.5 O 2 Cathodes: A DFT-Supported 6 Li Solid-State NMR Study

LiMn 0.5 Ni 0.5 O 2 has been plagued by the structural failure driven by the irreversible phase change upon subsequent cycling and the structural degradation caused by the seemingly unavoidable Li/Ni exchange. This begs for a better understanding of the correlation between lithium local structures, synthesis conditions, and overall electrochemical properties of materials. In this study, we use density functional theory (DFT) to assist experimental 6 Li solid-state magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy to understand the nature and change in lithium local structures with extended annealing times (168 vs 15 h) synthesized at 900 °C. To correlate the NMR peak changes after different synthesis conditions, we calculated the NMR spectra of representative low-energy model configurations of LiMn 0.5 Ni 0.5 O 2 composition–zigzag, row, and flower structures–as well as the influence of Ni/Mn ordering and Li/Ni exchange on each spectrum using a supercell that is large enough to allow us to consider the effect of different relative configurations of adjacent transition metal (TM) layers. The analysis based on a combination of the calculated NMR and the experimental spectra suggests that most configurations contributing to the experimental spectra are in fact composed of a blend of configurations higher in energy than the classical well-ordered ground-state structures. Further, the extended annealing of LiMn 0.5 Ni 0.5 O 2 slightly enhances Ni/Mn and Li/Mn orderings while reducing the Li/Ni mixing ratio. This study shows how DFT calculations are crucial in providing a better understanding of the experimental characterization data and therefore local environments and domain structures in oxide materials, such as Li-ion battery cathodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

ALLOY SELECTION AND C-276 CODE DESIGN VALUE EXTENSION FOR ADVANCED MOLTEN SALT TECHNOLOGY TEST FACILITIES EXPERIMENTATION

Molten halide salts are being considered as working fluids for nuclear and concentrated solar power applications. High temperature molten fluoride and chloride salts are known to preferentially attack and deplete Cr in alloys, which leads to the use of high-Ni lower-Cr alloys in test facilities for advanced Molten Salt Technology. Alloys 600 and C-276 are two commercially available Ni alloys that have moderate Cr contents and are qualified to the maximum temperature of 649°C and 677°C (1,200°F and 1,251°F), respectively, in the Boiler and Pressure Vessel Code. Both alloys have good corrosion resistance to acids, are resistant to stress-corrosion cracking, and have long track records of use in the chemical industry. Comparatively, Alloy C-276 has a similar Cr content but much higher allowable stresses for temperatures greater than 600°C (1,112°F). Therefore, it has been considered as a structural material for test facilities that require operations at 700°C (1,292°F) or greater to develop high-temperature Molten Salt Technology. To meet the requirements, the current code design values were extended based on some experimental data. Analysis showed that above current Codified maximum temperature, strength of the alloy is mainly controlled by creep rupture life under the average stress, although the Sc creep rate criterion is close to the Favg.Savg rupture criterion. This paper presents the intended test facilities and the design requirements, alloy selection considerations, literature review, data analysis, and proposed allowable stress extension based on some creep test data for C-276 at temperatures greater than 677°C (1,251°F). Further research activities are also briefly mentioned.

Ren, Weiju↗