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At least 469 records · Page 26

Structural and thermal properties of Eu 2 Ga 11 Sn 35

Clathrates have been reported to form in a variety of different structure types; however, inorganic clathrate-I materials with a low-cation concentration have yet to be investigated. Furthermore, tin-based compositions have been much less investigated as compared to silicon or germanium analogs. We report the temperature-dependent structural and thermal properties of single-crystal Eu 2 Ga 11 Sn 35 revealing the effect of structure and composition on the thermal properties of this low-cation clathrate-I material. Specifically, low-temperature heat capacity, thermal conductivity, and synchrotron single-crystal x-ray diffraction reveal a departure from Debye-like behavior, a glass-like phonon mean-free path for this crystalline material, and a relatively large Grüneisen parameter due to the dominance of low-frequency Einstein modes. In conclusion, our analyses indicate thermal properties that are a direct result of the structure and composition of this clathrate-I material.

36 MATERIALS SCIENCE↗

Bogoliubov Fermi surfaces in spin-$\frac{1}{2}$ systems: Model Hamiltonians and experimental consequences

Bogoliubov Fermi surfaces (BFSs) are topologically protected regions of zero energy excitations in a superconductor whose dimension equals that of the underlying normal state Fermi surface. Examples of Hamiltonians exhibiting this “ultranodal” phase are known to preserve charge-conjugation ($\textit{C}$) and parity ($\textit{P}$) but break time-reversal ($\textit{T}$). In this work, we provide examples of model Hamiltonians that do not necessarily preserve this symmetry pattern but have well-defined sign-changing Pfaffians yielding BFSs. While their topological character has not been recognized previously, some of the models we present have been extensively studied in prior literature. Here, we further examine thermodynamic and electronic properties arising from the ultranodal state. In particular, we study the effect of a weak Zeeman field close to the topological transition and propose distinguishing features of BFSs using residual specific heat and tunneling conductance. Our calculation of the superfluid density in a toy multiband model indicates a window of interband pairing strength where BFSs are stable with a positive superfluid density. We also present additional signatures of BFSs in spin-polarized spectral weight and total magnetization measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantum spin state transitions in the spin-1 equilateral triangular lattice antiferromagnet Na 2 BaNi(PO 4 ) 2

We report we have grown single crystals of Na 2 BaNi(PO 4 ) 2 , a spin-1 equilateral triangular lattice antiferromagnet (ETLAF), and performed magnetic susceptibility, specific heat, and thermal conductivity measurements at ultralow temperatures. The main results are as follows: (i) At zero magnetic field, Na 2 BaNi(PO 4 ) 2 exhibits a magnetic ordering at 430 mK with a weak ferromagnetic moment along the $\textit{c}$ axis. This suggests a canted 120° spin structure, which is in a plane including the crystallographic $\textit{c}$ axis due to the existence of an easy-axis anisotropy and ferromagnetically stacked along the $\textit{c}$ axis. (ii) With increasing field along the $\textit{c}$ axis, a 1/3 magnetization plateau is observed, which means that the canted 120° spin structure is transformed into an up-up-down (UUD) spin structure. With even higher fields, the UUD phase further evolves into possible V and V' phases. (iii) With increasing field along the $\textit{a}$ axis, the canted 120° spin structure is possibly transformed into an umbrella phase and a V phase. Therefore Na 2 BaNi(PO 4 ) 2 is a rare example of a spin-1 ETLAF with single-crystalline form that exhibits easy-axis spin anisotropy and a series of quantum spin state transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Enhancement of charge-neutral fermionic excitations near the spin-flop transition in the magnetic Kondo material YbIr 3 Si 7

The new Kondo material YbIr 3 Si 7 , similar to other Kondo insulators, has been reported to exhibit charge-neutral fermionic excitations through measurements of specific heat and thermal conductivity at low temperatures. We performed 29 Si-NMR on YbIr 3 Si 7 to investigate the magnetic response of charge-neutral fermions from a microscopic perspective. In low magnetic fields parallel to the c axis, a single NMR peak in the paramagnetic state splits into three peaks below TN. In contrast, only a slight shift of the single NMR peak was observed in high magnetic fields. This spectral change as a function of the c-axis magnetic field is interpreted as a spin-flop transition, at which the magnetic moments oriented along the c axis antiferromagnetic (AFM-I) phase are rotated to the ab plane with a ferromagnetic component along the c-axis (AFM-II phase). In the vicinity of the spin-flop magnetic field H M , the nuclear spin-lattice relaxation rate 1/T 1 was found to be proportional to temperature at low temperatures, indicating the existence of charge-neutral fermions. Furthermore, a peak of 1/T 1 versus the c-axis magnetic field suggests that the charge-neutral fermions in YbIr 3 Si 7 are closely related to its magnetic properties. Our findings shed light on the origin of charge-neutral fermions in insulators.

36 MATERIALS SCIENCE↗

Beyond single tetrahedron physics of the breathing pyrochlore compound Ba 3 ⁢Yb 2 ⁢Zn 5 ⁢O 11

Recently, a new class of quantum magnets, the so-called breathing pyrochlore spin systems, have attracted much attention due to their potential to host exotic emergent phenomena. Here, we present magnetometry, heat capacity, thermal conductivity, muon-spin relaxation, and polarized inelastic neutron scattering measurements performed on high-quality single crystal samples of the breathing pyrochlore compound Ba 3 ⁢Yb 2 ⁢Zn 5 ⁢O 11 . We interpret these results using a simplified toy model and provide insight into the low-energy physics of this system beyond the single tetrahedron physics proposed previously.

36 MATERIALS SCIENCE↗

Electronic transport and thermoelectricity in the selenospinel Cu 6—x Fe 4+x Sn 12 Se 32

Here, we report a study of selenospinel Cu 6—x Fe 4+x Sn 12 Se 32 (x = 0, 1, 2) single crystals, which crystallize in a cubic structure with the F$d$$\overline{3}$$m$ space group, and show typical semiconducting behavior. The large discrepancy between the activation energy for electrical conductivity E ρ (32.3–69.8 meV), and for thermopower E S (3.2–11.5 meV), indicates a polaronic transport mechanism between 350 and 50 K. With decreasing temperature, it evolves into variable-range hopping conduction. Furthermore, the heat capacity shows a hump around 25(5) K and diverges from the Debye T 3 law at low temperatures, indicating the observation of structural glassy features in these crystalline solids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Accelerated Creep Test Qualification of Creep-Resistance Using the Wilshire–Cano–Stewart Constitutive Model and Stepped Isostress Method

In this paper, a qualification of accelerated creep-resistance of Inconel 718 is assessed using the novel Wilshire–Cano–Stewart (WCS) model and the stepped isostress method (SSM) and predictions are made to conventional creep data. Conventional creep testing is a long-term continuous process; in fact, the ASME B&PV III requires that 10,000+ h of experiments must be conducted to each heat for materials employed in boilers and/or pressure vessel components. This process is costly and not feasible for rapid development of new materials. As an alternative, accelerated creep testing techniques have been developed to reduce the time needed to characterize the creep resistance of materials. Most techniques are based upon the time-temperature-stress superposition principle that predicts minimum-creep-strain-rate (MCSR) and stress-rupture behaviors but lack the ability to predict creep deformation and consider deformation mechanisms that occur for experiments of longer duration. The SSM has been developed, which enables the prediction of creep deformation response as well as reduce the time needed for qualification of materials. The SSM approach has been successful for polymer, polymeric composites, and recently has been introduced for metals. In this study, the WCS constitutive model, calibrated to SSM test data, qualifies the creep resistance of Inconel 718 at 750 °C and predictions are compared to conventional creep testing data. The WCS model has proven to make long-term predictions for stress-rupture, MCSR, creep deformation, and damage in metallic materials. The SSM varies stress levels after time interval adding damage to the material, which can be tracked by the WCS model. The SSM data is calibrated into the model and the WCS model generates realistic predictions of stress-rupture, MSCR, damage, and creep deformation. The calibrated material constants are used to generate predictions of stress-rupture and are postaudit validated using the National Institute of Material Science database. Similarly, the MCSR predictions are compared from previous studies. Finally, the creep deformation predictions are compared with real data and is determined that the results are well in between the expected boundaries. Material characterization and mechanical properties can be determined at a faster rate and with a more cost-effective method. This is beneficial for multiple applications such as in additive manufacturing, composites, spacecraft, and industrial gas turbines.

42 ENGINEERING↗

Cylindricity Sensitivity Thermal Model of the AGR-5/6/7 Experiment in the Advanced Test Reactor

The AGR-5/6/7 experiment is currently being irradiated in the Advanced Test Reactor (ATR) at the Idaho National Laboratory and is approximately 70% complete. Several fuel and material irradiation experiments have been planned for the U.S. Department of Energy Advanced Gas Reactor Fuel Development and Qualification Program, which supports the development and qualification of tristructural isotropic (TRISO) coated particle fuel for use in high-temperature gas-cooled reactors. The goals of these experiments are to provide irradiation performance data to support fuel process development, qualify fuel for normal operating conditions, support development of fuel performance models and codes, and provide irradiated fuel and materials for post-irradiation examination and safety testing. Originally planned and named as separate fuel experiments, but subsequently combined into a single test train, AGR-5/6/7 is testing low-enriched uranium oxycarbide TRISO fuel. The AGR-5/6/7 test train has 5 capsules with thermocouples and independent gas control mixtures. Unique to this paper is a sensitivity study concerning the cylindricity of the graphite holders containing the fuel compacts and their eccentricity in relation to the stainless-steel capsule walls. Each capsule has small nubs on the outside used for centering the graphite holder inside the stainless-steel capsule with a small gas gap used to control temperature. Due to machining tolerances of these nubs and vibration wearing the nubs down when the experiment is running in the reactor, the possibility exists that the holder may move around radially. Each capsule is equipped with several thermocouples placed at various radii and depths within each graphite holder. This paper will show the sensitivity of offsetting the graphite holder for various radii in 45-degree increments around the circle with the objective of minimizing the difference between the measured thermocouples and the modeled thermocouple temperatures. Separate gas mixtures of helium/neon are introduced into this gas gap between the holder and capsule wall and changed as necessary to maintain the desired thermocouple temperatures to keep the fuel compacts at constant temperature as the nuclear reactor conditions change. The goal of the sensitivity study is to find a radius and an angle to offset the holder from perfectly centered for each of the five capsules separately. The complex thermal model includes fission heating, gamma heating, radiation heat transfer, and heat transfer via conduction and radiation across the control gaps. Subroutines linked to the thermal model offer an easy method to offset the graphite holder from the capsule walls without remeshing the entire model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Phase transformation of hydrous ringwoodite to the lower-mantle phases and the formation of dense hydrous silica

In order to understand the effects of H 2 O on the mineral phases forming under the pressure-temperature conditions of the lower mantle, we have conducted laser-heated diamond-anvil cell experiments on hydrous ringwoodite (Mg 2 SiO 4 with 1.1wt% H 2 O) at pressures between 29 and 59 GPa and temperatures between 1200 and 2400 K. Our experimental results show that hydrous ringwoodite (hRw) converts to crystalline dense hydrous silica, stishovite (Stv) or CaCl 2 -type SiO 2 (mStv), containing 1 wt% H 2 O together with Brd and MgO at the pressure-temperature conditions expected for shallow lower-mantle depths between approximately 660 to 1600 km. Considering lack of sign for melting in our experiments, our preferred interpretation of the observation is that Brd partially breaks down to dense hydrous silica and periclase (Pc), forming Brd + Pc + Stv mineralogy. Our experiments may provide an explanation for the enigmatic coexistence of Stv and Fp inclusions in lower-mantle diamonds

58 GEOSCIENCES↗

Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Package in KAC (2020 Status Report)

Savannah River Site (SRS) stores plutonium materials within model 9975 shipping packages in the K-Area Complex (KAC). The 9975 shipping package consists of a 35 gallon stainless steel drum, Celotex fiberboard insulation, lead shield, and primary and secondary containment vessels. The 9975 shipping package design, performance, and analysis for safe transport of radioactive material are described in the Safety Analysis Report for Packaging (SARP). Celotex fiberboard provides three safety functions: thermal insulation to limit internal temperature during a fire, criticality control, and resistance to package crushing. The fiberboard material must retain its dimensions and density within certain ranges to provide the required impact resistance, criticality control, and fire resistance. The SRS Surveillance Program monitors material performance to establish a basis for service life and ensures the continued integrity of 9975 packages. Fiberboard samples, taken from multiple fiberboard assemblies fabricated from cane and softwood fiberboard, have been conditioning in elevated temperature environments since 2005. The samples are periodically examined to monitor thermal, mechanical, and physical properties, and assess degradation trends. Fiberboard properties of interest that are evaluated to demonstrate acceptable long-term performance include dimensional stability, density, compressive strength, thermal conductivity, and specific heat capacity. Duplicate samples from multiple package sources have been tested to identify the range of variability in fiberboard properties and degradation rates. Baseline and long-term testing of fiberboard material properties have been reported previously; reference 6 summarized experimental results of cane and softwood fiberboard through May 2019 and presented degradation models for the measured properties. This report presents the cumulative data collected through June 2020 and the corresponding updated aging models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Matrix Graphite Material Models In Pebbles and Compacts For Bison

The cores and reflectors in high-temperature gas-cooled reactors (HTGRs) are made of graphite materials, with the graphite acting as a moderator, a fuel host matrix, or the foundation for various structural components. This study aims to survey the models in the literature for graphite materials being used as host matrices in pebble/fuel compacts and to implement those surveyed models into Bison to conduct an early assessment of graphite's thermo-mechanical response under various reactor conditions. In this study, thermal (e.g., thermal conductivity, and specific heat capacity) and mechanical (e.g., elastic properties, thermal expansion, irradiation-induced dimensional changes, and irradiation-induced creep) material models for various graphite grades (e.g., H-451, IG-110, G-348, 2020, A3-3, and A3-27) are incorporated into Bison. Two benchmark problems are then exercised utilizing these new graphite-related capabilities: (1) modeling an Advanced Gas Reactor (AGR)-2 fuel compact, and (2) modeling the debonding of a particle-matrix interface.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Assembly and Functional Test of NRAD Heated Instrumentation Rig

This is a technical report (TEV-4296) which documents the configuration and materials of construction for a heated sensor test conducted in the NRAD reactor. It is being reviewed for external release so that operators of university reactors can evaluate whether this level of documentation will be acceptable for similar tests conducted in their reactors. The Objective section of this TEV is reproduced below. The purpose of this TEV is to document assembly and functional testing of a device which is designed to allow advanced sensors to be temporarily placed at the periphery of the NRAD reactor. While in this location, the operational characteristics of the sensors can be evaluated while they are exposed to a neutron flux. This device (or “rig”) consists of a cartridge heater surrounded by six guide tubes, which are in turn surrounded by insulation and an aluminum dry tube. The heater allows for the sensors to be tested while at elevated temperature.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Dynamic Earth Energy Storage: Terawatt-year, Grid-scale Energy Storage Using Planet Earth as a Thermal Battery (GeoTES): Phase I Project (Final Report)

Grid-scale energy storage has been identified by the U.S. Department of Energy’s (DOE) Energy Storage Grand Challenge as a necessary technology to support the continued build-out of intermittent renewable energy resources required to attain a carbon-free energy future. To meet this goal, the 2018 Department of Energy Research and Innovation Act mandated the creation of a comprehensive program to accelerate the development and commercialization of next-generation energy storage technologies. One of numerous energy storage technology options is the storage of excess energy as heated geothermal brine in suitable geologic formations. This concept, known as reservoir thermal energy storage (RTES), geologic thermal energy storage (GeoTES), aquifer thermal energy storage (ATES), etc., relies on the storage of thermal energy in geologic formations for recovery and use in large-scale direct use geothermal (e.g., district heating, industrial processes, etc.) and electrical power generation applications. This thermal energy is derived from excess or waste heat from any high-temperature heat source, such as concentrated solar or from conventional thermal/nuclear generation. As such, RTES can potentially play a significant role in meeting the energy storage shortfall in the coming decades. RTES can provide energy arbitrage through both the storage and production of thermal energy stored in geologic formations for direct use applications and can serve as a source of hot fluids that can be used to generate electricity to support peak demand ramping, thus easing stress on transmission and distribution. This energy storage option has geographic benefits in that energy can be stored locally or regionally depending on the various needs/loads. RTES can also be located across an enormous geographic area, without the need for a traditional hydrothermal resource but where thermal gradients and hydrogeology allow economic exploitation of subsurface heat. The work conducted for this project includes (1) a review of lessons learned from past high-temperature RTES international projects; (2) geochemical experimental investigation and numerical simulations of potential domestic sedimentary reservoirs and (3) development of a thermo-hydrological-mechanical (THM) numerical simulation tool for optimizing formation properties and design parameters to maximize thermal energy storage performance.

15 GEOTHERMAL ENERGY↗

Development of Temperature Compensation Tools for SPNDs Operating in High Temperature Environments

Two rhodium-based self-powered neutron detectors (Rh-SPNDs) were irradiated at the Massachusetts Institute of Technology Reactor as a follow-on experiment to the heated irradiation previously conducted at the Neutron Radiography facility at Idaho National Laboratory. The experiment was conducted over the temperature ranges of 600-850°C to further examine the effects of temperature on the Rh-SPNDs. Four tests of varying temperature and power were performed. The tests identified two types of temperature effects consistent with historical evaluations. One effect is a prompt proportionality to temperature at steady-state reactor power due to the decrease in Rh-SPND insulation resistance. The other effect is a delayed effect generated from displacement currents generated by changing the space charge within the insulator as a function of temperature. The result of this experiment demonstrates a characterizable responses to temperature that is feasible for developing a temperature compensation tool for SPND operating in high temperatures. The characteristics identified in this experiment will be integrated within the delayed-response compensation techniques for FY23 evaluation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Performance Benchmark of Commercial and Developmental Fission Chambers in Elevated Temperatures

This report documents the testing of two in-core fission chamber technologies for high-temperature irradiation environments. This work is in collaboration with the French Alternative Energies and Atomic Energy Commission (CEA). The fission chamber evaluated by Idaho National Laboratory is the micro-pocket fission detector (MPFD). The fission chamber evaluated by the CEA are the 3 mm miniaturized fission chamber and the 7 mm high-temperature fission chamber. Demonstrations of the MPFD were performed at the Neutron Radiography Facility and the Massachusetts Institute of Technology Reactor. Demonstrations of the CEA fission chambers were performed at the Ohio State University Research Reactor. All demonstrations were conducted with a heated experiment rig up to 850°C.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Developing a Database of Bio-based Materials for Building Envelope Applications

Oak Ridge National Laboratory (ORNL) has been funded by the Department of Energy (DOE) to help accelerate the introduction of building envelope materials that would reduce the carbon footprint of the buildings sector. The DOE’s Building Technologies Office has historically sought to resolve the knowledge gaps regarding the energy efficiency and moisture durability of building envelope systems and to develop the data, guidance, and tools needed to facilitate rapid industry adoption of high-performance, moisture-managed envelope systems. This project will help accelerate the widespread acceptance of a new generation of building materials developed specifically with the intent of reducing the carbon footprint of buildings. We have produced a database of hygrothermal transport properties on low embodied carbon building materials that can be added to energy and durability simulation tools. Properties that were measured include density, heat capacity, thermal conductivity as a function of temperature and relative humidity, moisture dependent permeance, and sorption isotherms as a function of relative humidity. These data sets were measured following consensus national standards using state-of-the-art facilities. The data has been compiled and is being made available to building designers who require these data to assess these new materials in their designs. We will publish the data and seek its addition to reference databases such as the ASHRAE Handbook of Fundamentals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

HTGR Multiphysics Application Drivers FY26 Updates

This report summarizes FY26 progress under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program's high-temperature gas-cooled reactor (HTGR) application driver work, covering a wide range of activities such as code validation and multi-physics code assessment. 1) A detailed SAM model of the High-Temperature Engineering Test Reactor (HTTR) was developed using a unique-block grouping approach, with an extended parallel thermal network method to capture block-to-block conduction and radiation heat transfer, and applied to steady-state simulations of the HTTR 30~MW and 9~MW cases. 2) In another activity, SAM's newly implemented multi-component gas flow model was validated against the Natural convection Shutdown heat removal Test Facility (NSTF) argon ingress experiment, correctly capturing the density-driven suppression and thermal recovery of natural circulation observed when argon is introduced into the air-cooled Reactor Cavity Cooling System (RCCS) loop. 3) For the OECD/NEA High Temperature Test Facility (HTTF) benchmark, we co-led the international benchmark activities as well as the OECD/NEA final benchmark report to be released at the end of this year. 4) Finally, the coupled Griffin-SAM modeling capability for pebble-bed HTGRs was advanced by verifying the Griffin neutronics solution against Serpent Monte Carlo for a realistic non-uniform temperature distribution, resolving several deficiencies in the SAM-to-Griffin temperature transfer scheme, and enabling distinct fuel kernel, moderator, and coolant temperatures for cross section feedback. These new features were demonstrated in a PBR load-following transient.

Lee, Alvin↗

An Experimental Kinetics Study of Isopropanol Pyrolysis and Oxidation behind Reflected Shock Waves

Isopropanol has potential as a future bio-derived fuel and is a promising substitute for ethanol in gasoline blends. Even so, little has been done in terms of high-temperature chemical kinetic speciation studies of this molecule. To this end, experiments were conducted in a shock tube using simultaneous CO and H2O laser absorption measurements. Water and CO formation during isopropanol pyrolysis was also examined at temperatures between 1127 and 2162 K at an average pressure of 1.42 atm. Species profiles were collected at temperatures between 1332 and 1728 K and at an average pressure of 1.26 atm for equivalence ratios of 0.5, 1.0, and 2.0 in highly diluted mixtures of 20% helium and 79.5% argon. Species profiles were also compared to four modern C3 alcohol mechanisms, including the impact of recent rate constant measurements. The Li et al. (2019) and Saggese et al. (2021) models both best predict CO and water production under pyrolysis conditions, while the AramcoMech 3.0 and Capriolo and Konnov models better predict the oxidation experimental profiles. Additionally, previous studies have collected ignition delay time (τign) data for isopropanol but are limited to low pressures in highly dilute mixtures. Therefore, real fuel–air experiments were conducted in a heated shock tube with isopropanol for stoichiometric and lean conditions at 10 and 25 atm between 942 and 1428 K. Comparisons to previous experimental results highlight the need for real fuel–air experiments and proper interpretation of shock-tube data. The AramcoMech 3.0 model over predicts τign values, while the Li et al. model severely under predicts τign. The models by Capriolo and Konnov and Saggese et al. show good agreement with experimental τign values. A sensitivity analysis using these two models highlights the underlying chemistry for isopropanol combustion at 25 atm. Additionally, modifying the Li et al. model with a recently measured reaction rate shows improvement in the model’s ability to predict CO and water profiles during dilute oxidation. Finally, a regression analysis was performed to quantify τign results from this study.

09 BIOMASS FUELS↗