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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Using FLAC{sup R} Modeling Software to Analyze the Stability of a LLRW Disposal Facility - 20031

Waste Control Specialists (WCS) wished to amend its existing LLRW disposal license such that it might use gravel aggregate instead of concrete as backfill around large component (LC) parts from decommissioned nuclear reactors. A classical mechanics evaluation of the strength of the LCs was presented to the Texas Commission on Environmental Quality (TCEQ), demonstrating that the LCs had adequate capacity to withstand the loads within the facilities, and that concrete was unnecessary for structural support. TCEQ requested that additional analyses of the LCs within the facilities be performed using FLAC{sup R} finite difference modeling software. Because FLAC{sup R} has the capability of modeling the support provided by the lateral earth pressures, the factors of safety against failure for the LCs increased. TCEQ found the FLAC{sup R} analyses presented in this report to be satisfactory, and granted WCS' license amendment request. This work demonstrates that FLAC{sup R} may be used advantageously to more accurately represent the complexities of the physical situation being modeled. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Gate-defined wires in twisted bilayer graphene: From electrical detection of intervalley coherence to internally engineered Majorana modes

Twisted bilayer graphene (TBG) realizes a highly tunable, strongly interacting system featuring superconductivity and various correlated insulating states. We establish gate-defined wires in TBG with proximity-induced spin-orbit coupling as (i) a tool for revealing the nature of correlated insulators and (ii) a platform for Majorana-based topological qubits. We show that the band structure of a gate-defined wire immersed in an intervalley coherent correlated insulator inherits electrically detectable fingerprints of symmetry breaking native to the latter. Surrounding the wire by a superconducting TBG region on one side and an intervalley coherent correlated insulator on the other further enables the formation of Majorana zero modes—possibly even at zero magnetic field depending on the precise symmetry-breaking order present. Our proposal not only introduces a highly gate-tunable topological qubit medium relying on internally generated proximity effects but can also shed light on the Cooper-pairing mechanism in TBG.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Deletion of the H240R Gene in African Swine Fever Virus Partially Reduces Virus Virulence in Swine

African swine fever (ASF) is a highly contagious disease that affects wild and domestic swine. Currently, the disease is present as a pandemic affecting pork production in Eurasia and the Caribbean region. The etiological agent of ASF is a large, highly complex structural virus (ASFV) harboring a double-stranded genome encoding for more than 160 proteins whose functions, in most cases, have not been experimentally characterized. We show here that deletion of the ASFV gene H240R from the genome of the highly virulent ASFV-Georgia2010 (ASFV-G) isolate partially decreases virus virulence when experimentally inoculated in domestic swine. ASFV-G-ΔH240R, a recombinant virus harboring the deletion of the H240R gene, was produced to evaluate the function of the gene in the development of disease in pigs. While all animals intramuscularly inoculated with 10 2 HAD 50 of ASFV-G developed a fatal form of the disease, forty percent of pigs receiving a similar dose of ASFV-G-ΔH240R survived the infection, remaining healthy during the 28-day observational period, and the remaining sixty percent developed a protracted but fatal form of the disease compared to that induced by ASFV-G. Additionally, all animals inoculated with ASFV-G-ΔH240R presented protracted viremias with reduced virus titers when compared with those found in animals inoculated with ASFV-G. Animals surviving infection with ASFV-G-ΔH240R developed a strong virus-specific antibody response and were protected against the challenge of the virulent parental ASFV-G.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Vadose and Saturated Zone Flow and Transport Calculations for the Active Trenches of the Low-Level Burial Grounds, Hanford Site, Washington

The purpose of the fate and transport modeling described in this environmental calculation file (ECF) is to evaluate the impacts to groundwater associated with waste disposal operations at Mixed Waste Low-Level Burial Ground (LLBG) Trenches 31 and 34 to satisfy requirements in DOE O 435.1, Radioactive Waste Management. The model integrates the flow and transport in the vadose zone beneath the active trenches with the saturated zone downgradient of the trenches to predict the radionuclide concentration at the point of assessment (POA). DOE M 435.1-1, Radioactive Waste Management Manual, defines the POA as the point of highest projected dose or concentration beyond a 100 m (328 ft) buffer zone surrounding the disposed waste. The modeling is conducted in accordance with the DOE G 435.1, Implementation Guide for Use with DOE M 435.1-1, performance assessment (PA) guidelines. The modeling involves evaluation of the groundwater concentrations and radionuclide arrival times during the 1,000-year compliance and 10,000-year sensitivity-uncertainty periods per DOE O 435.1 and DOE M 435.1. This analysis does not consider radionuclide release during facility operations, only the post-closure impacts of the radionuclides to the environment. The evaluation of potential radiological dose to groundwater receptors caused by releases from a closed facility containing radioactive waste typically includes the following: (1) Release of radionuclides from that facility (2) Transport of those radionuclides through the environment, and (3) Exposure to humans to environmental concentration levels of those radionuclides The fate and transport three-dimensional (3D) model analysis involves the post-closure impacts to the environment of the technetium-99, iodone-129, and uranium (all isotopes in the waste). The residual inventory estimates include several radionuclides, but technetium-99 is typically responsible for almost all of the beta-gamma dose equivalent associated with groundwater (water resources) protection per 40 CFR 141, “National Primary Drinking Water Regulations” (e.g., see the results in WCH-520, Performance Assessment of Environmental Restoration Disposal Facility, Hanford Site, Washington; hereinafter referred to as the ERDF PA), and iodone-129 can also be a significant dose contributor for some waste (e.g., RPP-RPT-59958, Performance Assessment for the Integrated Disposal Facility, Hanford Site, Washington; hereinafter referred to as the IDF PA). Uranium does not typically factor significantly into the impacts to groundwater, even during the 10,000-year sensitivity-uncertainty period, but always remains of interest as a contaminant. This ECF does not address vadose and saturated zone modeling for Trench 94 of the 200 East Area LLBG. Current information confirms the validity of the low corrosion rate of the naval reactor plant carbon steel (HY-80), and the even lower corrosion rate of the nickel-iron-chromium alloy reactor vessel (Inconel Alloy 600) presented in DOE/EIS-0259, Final Environmental Impact Statement on the Disposal of Decommissioned, Defueled Cruiser, Ohio Class, and Los Angeles Class Naval Reactor Plants. Based on these low corrosion rates, the time to breach the reactor vessel to allow release of radionuclides from the activated metal of the reactor vessel internal structure is at least 10,000 years. This time to breach precludes the need to evaluate the vadose and saturated zone transport of contaminants released from the reactor compartment disposal packages in the 200 East Area LLBGs PA (CP-63826, Waste Release Model Package Report for the Active Trenches of the Low-Level Burial Grounds, Hanford Site, Washington).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Exploring the Interplay between Polyphenols and Lysyl Oxidase Enzymes for Maintaining Extracellular Matrix Homeostasis

Collagen, the most abundant structural protein found in mammals, plays a vital role as a constituent of the extracellular matrix (ECM) that surrounds cells. Collagen fibrils are strengthened through the formation of covalent cross-links, which involve complex enzymatic and non-enzymatic reactions. Lysyl oxidase (LOX) is responsible for catalyzing the oxidative deamination of lysine and hydroxylysine residues, resulting in the production of aldehydes, allysine, and hydroxyallysine. These intermediates undergo spontaneous condensation reactions, leading to the formation of immature cross-links, which are the initial step in the development of mature covalent cross-links. Additionally, non-enzymatic glycation contributes to the formation of abnormal cross-linking in collagen fibrils. During glycation, specific lysine and arginine residues in collagen are modified by reducing sugars, leading to the creation of Advanced Glycation End-products (AGEs). These AGEs have been associated with changes in the mechanical properties of collagen fibers. Interestingly, various studies have reported that plant polyphenols possess amine oxidase-like activity and can act as potent inhibitors of protein glycation. This review article focuses on compiling the literature describing polyphenols with amine oxidase-like activity and antiglycation properties. Specifically, we explore the molecular mechanisms by which specific flavonoids impact or protect the normal collagen cross-linking process. Furthermore, we discuss how these dual activities can be harnessed to generate properly cross-linked collagen molecules, thereby promoting the stabilization of highly organized collagen fibrils.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Regional infrasonic observations from surface explosions – influence of atmospheric variations and realistic terrain

SUMMARY A pair of 1-ton, conventional surface explosions were conducted at the Nevada National Security Site in the fall of 2020 producing seismoacoustic signatures observable hundreds of kilometres from the source location. Regional infrasonic observations include tropospheric ducting at large distances to the south, a wide stratospheric waveguide with signals observed more than 700 km to the east, and anomalous arrivals in the stratospheric shadow zone. Notable differences in propagation between the events are identified despite the explosions being conducted just two days apart due to a sharp temporal shift in the tropospheric winds as well as structural changes in the stratospheric winds. Propagation simulations of the two events have been completed using a combination of ray tracing and parabolic equation (PE) methods. Simulations have been conducted to quantify the impact of the temporal variations in the atmosphere as well as the influence of terrain on propagation. Temporal variations in reflection locations are found to produce notable changes in downrange propagation due to spatially varying terrain features. Finite frequency effects modelled by the PE are found to predict ensonification not included in corresponding 2D ray tracing simulations. Notable variations in predicted signal amplitude are found due to focusing by along-path and cross-path terrain gradients; though, the later of these is only modelled using fully 3D ray tracing analysis.

58 GEOSCIENCES↗
DOE OSTI2022

Developing nanometer scale, atomically precise metallo-catalysts with Molecular Lego

We propose to create atomically precise, highly robust, nanometer scale macromolecules that organize biomimetic metal binding groups in designed three-dimensional pockets to accelerate specific polymerization reactions. These atomically precise catalysts will create atomically precise polymers with improved mechanical and environmental properties from renewable building blocks. We seek to create and study nanometer scale catalysts that mimic metallo-enzymes in their activity and selectivity because these larger catalysts will be able to make more extensive non-covalent contacts with the transition state of the growing polymer. These catalysts will have extended lifetimes because they will better protect the metals and higher activity because additional reactive groups can be brought in close contact with the active site to enhance reactivity. They will be far more tolerant to extremes of temperature and will not denature in non-aqueous solvents because they are held together by multiple, strong, covalent bonds. Our approach to catalysts could be used to develop catalysts to replace noble metal-based catalysts when targeting other reactions, because the geometry of the active site enforced by the Molecular Lego scaffolding will access new reactivity, mimicking how nature uses earth abundant metals for much of its catalysis. We will initially target Lewis acid-based catalysts that assemble aliphatic polyesters with improved stereoselectivity, tacticity and complex alternation of monomers. Aliphatic polyesters have received growing attention as attractive, environmentally benign, and sustainable alternatives to polymers developed from petroleum feedstocks. Aliphatic polyesters are environmentally friendly because they undergo facile hydrolytic degradation to benign products, and they have excellent properties and high biocompatibility. We will assemble these catalysts using unique “Spiroligomers” (aka Molecular Lego) chemistry developed in the Schafmeister group combined with the organometallic chemistry expertise of the Dobereiner group. Polymers are an attractive synthetic target of nanoscale atomically precise catalysts because their resulting structure, stereochemistry and tacticity has profound impact on their properties (crystalline vs amorphous) and provides a readout of the catalytic mechanism. Polymer synthesis also serves as an example of “atomically precise manufacturing” where atomically precise nanoscale catalysts construct polymers with atomic precision at increasing length scales.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Spatiotemporal Variability in Wind Turbine Blade Leading Edge Erosion

Wind turbine blade leading edge erosion (LEE) reduces energy production and increases wind energy operation and maintenance costs. Degradation of the blade coating and ultimately damage to the underlying blade structure are caused by collisions of falling hydrometeors with rotating blades. The selection of optimal methods to mitigate/reduce LEE are critically dependent on the rates of coating fatigue accumulation at a given location and the time variance in the accumulation of material stresses. However, no such assessment currently exists for the United States of America (USA). To address this research gap, blade coating lifetimes at 883 sites across the USA are generated based on high-frequency (5-min) estimates of material fatigue derived using a mechanistic model and robust meteorological measurements. Results indicate blade coating failure at some sites in as few as 4 years, and that the frequency and intensity of material stresses are both highly episodic and spatially varying. Time series analyses indicate that up to one-third of blade coating lifetime is exhausted in just 360 5-min periods in the Southern Great Plains (SGP). Conversely, sites in the Pacific Northwest (PNW) exhibit the same level of coating lifetime depletion in over three times as many time periods. Thus, it may be more cost-effective to use wind turbine deregulation (erosion-safe mode) for damage reduction and blade lifetime extension in the SGP, while the application of blade leading edge protective measures may be more appropriate in the PNW. Annual total precipitation and mean wind speed are shown to be poor predictors of blade coating lifetime, re-emphasizing the need for detailed modeling studies such as that presented herein.

Pryor, Sara C. (ORCID:0000000348473440)↗
DOE OSTI2021

Topological surface states on the nonpolar (110) and (111) surfaces of SmB 6

In order to clarify the controversial issue of the topological nature in a mixed-valent Kondo system, SmB 6 , we have explored the surface states on the nonpolar (110) surface of SmB 6 , employing both angle-resolved photoemission spectroscopy (ARPES) experiment and ab initio density-functional theory (DFT) band calculations. Based on ARPES spectroscopic fingerprints and the DFT surface band structures, we ascribe the observed spectral weights at $\bar{X}$ and $\bar{Y}$ on the (110) surface Brillouin zone to topological surface states (TSSs) of “topological insulator (TI)” nature and of “topological crystalline insulator (TCI)” nature, respectively. With varying the chemical potential, the double Dirac cones of the TCI nature exhibit a Lifshitz transition of Fermi surfaces with intriguing spin textures. Further, we have also examined the TSSs on the nearly nonpolar (111) surface of SmB 6 in connection with a recently reported ARPES result and proposed a way to probe the Dirac points that are buried in the bulk-projected bands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

DOE Hanford Tank Side Cesium Removal System (TSCR) Update: Fabrication and Factory Acceptance Testing - 20300

The Tank Side Cesium Removal (TSCR) System is a modular, quickly-deployable, and passively safe system for efficiently removing solids and cesium from alkaline liquid waste raffinate created by fuel processing on the Hanford site. This paper provides an overview of the project with particular emphasis on completion of fabrication and factory acceptance testing (FAT). All TSCR System components are inside three enclosures known as the Process Enclosure, Ancillary Enclosure, and Control Enclosure. The Process Enclosure is seismic design category II (SDC-II) and built to withstand the rigors of transportation and lifting, high winds, volcanic ash fall, and heavy precipitation (snow) over a temperature range of -25 to 115 deg. F. The Process Enclosure and Control Enclosure were fabricated in AVANTech's Columbia, SC facility, while the Ancillary Enclosure was fabricated in AVANTech's Richland, WA facility. The design and preliminary documented safety analysis were completed in December 2019, with all work being performed in accordance with ASME NQA-1 quality assurance requirements. The Process Enclosure, Ion Exchange Columns (IXCs), and several other TSCR components have a nuclear safety function and are designated as safety significant structures, systems, and components (SS-SSCs). The NQA-1 Commercial Grade Dedication (CGD) process was used to identify critical characteristics in order to accept materials and items used for fabrication of several safety significant TSCR components. This paper also addresses unique aspects and challenges of implementing CGD in DOE facilities and systems. After fabrication and preliminary testing, the Process and Control Enclosures were shipped to AVANTech's Richland facility where the complete TSCR System was setup and connected in a represented layout and configuration that will be used on the Hanford site. Test tanks and pumps were put in place and connected to the TSCR Process Enclosure in a manner that mimicked interfacing Double Shell Tanks in the 241-AP Tank Farm. The TSCR System was then tested/operated under conditions equivalent to those planned for onsite operation. Testing was separated into five separate phases as defined below: - Phase 1: Confirmation of TSCR System readiness for the FAT; - Phase 2: Verification of TSCR System operation under standard conditions; - Phase 3: Demonstration of TSCR System operation under non-standard conditions; - Phase 4: Demonstration of ion exchange media removal from an IXC; and - Phase 5: Completion of TSCR System lift plans and site mobilization. The Hanford Tank Operations Contractor, Washington River Protection Solutions (WRPS), participated in all phases of testing. Testing at AVANTech's Richland Facility allowed WRPS personnel to familiarize themselves with TSCR operations in a radiologically clean facility prior to onsite mobilization. Engineering and operations personnel gained valuable experience that allowed them to better refine onsite operational protocols and procedures - including handling and movement of IXCs with a forklift. This paper describes the technologies used by the TSCR System as well as how these technologies are deployed and operated to advance the Hanford mission of safely, efficiently, and effectively treating tank waste. It also provides detailed information on fabrication and FAT, including operational data from simulated tank waste runs. A project schedule for WRPS' planned construction acceptance testing, operational acceptance testing, and actual tank waste treatment is provided. This presentation should be of great interest to parties responsible for the design, testing, and mobilization of modular NQA-1 technologies for the treatment of raffinate and similar liquid wastes containing high concentrations of radioactive cesium. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Regional difference and related cooling electricity savings of air pollutant affected natural ventilation in commercial buildings across the US

Maintaining indoor air pollutants under acceptable levels is significant to protect occupants from exposure to excessive air pollutants in natural ventilation. In this paper, using the representative air pollutant concentration data, we present the natural ventilation usability with associated cooling energy saving potentials in different location settings (urban and city center, suburban and rural) of the US under the influence of local weather conditions and major outdoor air pollutants, i.e. PM2.5, PM10 and ozone. It is found that the impacts of air pollutants on natural ventilation are usually higher in urban/suburban areas than rural areas (up to 25% difference) with the PM2.5 being the most significant outdoor air pollutant affecting natural ventilation usage. Furthermore, ozone could become increasingly influential on natural ventilation as moving from urban to suburban/rural areas. As to the cooling energy saving considering the impacts of outdoor air pollutants, natural ventilation is estimated to save approximately 10%–40% cooling energy (800–2600 kWh per small commercial building) annually in different location settings of investigated areas across the US. The following economic analysis demonstrates that these electricity savings lead to approximately 80–540 dollars annual savings of building operation cost per building. If the time of use rate is adopted, these cost savings could further increase by approximately 20% (Los Angeles) to more than 50% (Albuquerque) depending on different rate structures, which further demonstrates the potential of adopting natural ventilation as a sustainability measurement with benefits for building owners without compromising occupants health.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Nonradiative relaxation dynamics in the [Au 25- n Ag n (SH) 18 ] -1 ( n = 1, 12, 25) thiolate-protected nanoclusters

Evaluation of the electron-nuclear dynamics and relaxation mechanisms of gold and silver nanoclusters and their alloys is important for future photocatalytic, light harvesting, and photoluminescence applications of these systems. In this work, the effect of silver doping on the nonradiative excited state relaxation dynamics of the atomically precise thiolate-protected gold nanocluster [Au 25- n Ag n (SH) 18 ] –1 ( n = 1, 12, 25) is studied theoretically. Time-dependent density functional theory is used to study excited states lying in the energy range 0.0–2.5 eV. The fewest switches surface hopping method with decoherence correction was used to investigate the dynamics of these states. The HOMO–LUMO gap increases significantly upon doping of 12 silver atoms but decreases for the pure silver nanocluster. Doped clusters show a different response for ground state population increase lifetimes and excited state population decay times in comparison to the undoped system. The ground state recovery times of the S 1 –S 6 states in the first excited peak were found to be longer for [Au 13 Ag 12 (SH) 18 ] –1 than the corresponding recovery times of other studied nanoclusters, suggesting that this partially doped nanocluster is best for preserving electrons in an excited state. The decay time constants were in the range of 2.0–20 ps for the six lowest energy excited states. Among the higher excited states, S 7 has the slowest decay time constant although it occurs more quickly than S 1 decay. Overall, these clusters follow common decay time constant trends and relaxation mechanisms due to the similarities in their electronic structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Review of Multifunctional Separators: Stabilizing the Cathode and the Anode for Alkali (Li, Na, and K) Metal–Sulfur and Selenium Batteries

Alkali metal batteries based on lithium, sodium, and potassium anodes and sulfur-based cathodes are regarded as key for next-generation energy storage due to their high theoretical energy and potential cost effectiveness. However, metal–sulfur batteries remain challenged by several factors, including polysulfides’ (PSs) dissolution, sluggish sulfur redox kinetics at the cathode, and metallic dendrite growth at the anode. Functional separators and interlayers are an innovative approach to remedying these drawbacks. Here we critically review the state-of-the-art in separators/interlayers for cathode and anode protection, covering the Li–S and the emerging Na–S and K–S systems. The approaches for improving electrochemical performance may be categorized as one or a combination of the following: Immobilization of polysulfides (cathode); catalyzing sulfur redox kinetics (cathode); introduction of protective layers to serve as an artificial solid electrolyte interphase (SEI) (anode); and combined improvement in electrolyte wetting and homogenization of ion flux (anode and cathode). It is demonstrated that while the advances in Li–S are relatively mature, less progress has been made with Na–S and K–S due to the more challenging redox chemistry at the cathode and increased electrochemical instability at the anode. Throughout these sections there is a complementary discussion of functional separators for emerging alkali metal systems based on metal–selenium and the metal–selenium sulfide. The focus then shifts to interlayers and artificial SEI/cathode electrolyte interphase (CEI) layers employed to stabilize solid-state electrolytes (SSEs) in metal–sulfur solid-state batteries (SSBs). The discussion of SSEs focuses on inorganic electrolytes based on Li- and Na-based oxides and sulfides but also touches on some hybrid systems with an inorganic matrix and a minority polymer phase. The review then moves to practical considerations for functional separators, including scaleup issues and Li–S technoeconomics. The review concludes with an outlook section, where we discuss emerging mechanics, spectroscopy, and advanced electron microscopy (e.g. cryo-transmission electron microscopy (cryo-TEM) and cryo-focused ion beam (cryo-FIB))-based approaches for analysis of functional separator structure–battery electrochemical performance interrelations. Finally, throughout the review we identify the outstanding open scientific and technological questions while providing recommendations for future research topics.

25 ENERGY STORAGE↗
DOE OSTI2022

Single pair of Weyl nodes in the spin-canted structure of EuCd 2 As 2

We report time reversal symmetry breaking Weyl semimetals are unique among Weyl materials in allowing the minimal number of Weyl points, thus offering the clearest signatures of the associated physics. Here we present neutron diffraction, density-functional theory, and transport measurement results which indicate that EuCd 2 As 2 , under ambient field, strain, and pressure, is such a material with a single pair of Weyl points. Our work reveals a magnetic structure (magnetic space group C2'/m') with Eu moments pointing along the [210] direction in plane and canted ~ 30° out of plane. Density functional theory calculations using this structure show that the observed canting drastically alters the relevant electronic bands, relative to the in-plane order, leading to a single set of well-defined Weyl points. Furthermore, we find the canting angle can tune the distance of the Weyl points above the Fermi level, with the smallest distance at low canting angles. Finally, transport measurements of the anomalous Hall effect and longitudinal magnetoresistance exhibit properties indicative of a chiral anomaly, thus supporting the neutron scattering and DFT results suggesting EuCd 2 As 2 is close to the ideal situation of the Weyl hydrogen atom.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Thermal aging effects on crosslinked polyethylene cable insulation with decabromodiphenyl ether flame retardant alternative

Decabromodiphenyl ether (decaBDE) has been extensively used as a flame retardant in several applications, including nuclear electrical cable insulation. However, decaBDE has been identified as a persistent, bioaccumulative and toxic (PBT) substance, leading to regulatory scrutiny. The Environmental Protection Agency (EPA) published a regulation on January 6, 2021, aimed at phasing out the manufacturing, processing, and distribution of decaBDE. This rule set a compliance deadline of March 8, 2021, for the manufacture and processing of decaBDE, and an extended deadline of January 6, 2023, for specific applications including wire and cable insulation in nuclear power generation facilities. In response to such regulations, RSCC, a major supplier of safety-related electrical cables and associated products to the U.S. nuclear industry updated the formula of their crosslinked polyethylene (XLPE) insulation to replace the historically used decaBDE flame retardant with an acceptable alternative. This change from the previous decaBDE-containing XLPE prompted interest in comparative performance of the two material formulations, especially with respect to characteristics relevant to safety-related function such as thermal and radiation resistance. RSCC graciously provided samples of wire insulated with the decaBDE-containing XLPE formulation and corresponding wire insulated with XLPE of the new formulation, containing a decaBDE alternative. In this work we compare characteristics of the two formulations and a previously produced commercial version of the RSCC decaBDE-containing XLPE insulation subjected to thermal aging at 150 °C and 165 °C. The comparison was focused on mechanical durability, thermal stability in the oxidative environment, and chemical structures. Briefly, • Tensile elongation at break (EAB) results showed loss of mechanical elasticity with longer aging time, as expected. Aging time dependence of EAB did not differ between the decaBDE-containing and decaBDE-alternative samples. • Subtle differences between the two materials can be detected from Fourier-transform infrared spectroscopy (FTIR) absorbance spectra in the range below 1700 cm -1 , are assumed to be related to decomposition of flame retardant additives during thermal aging. • The oxidation induction time (OIT) data seemed to show that the unaged decaBDE-containing XLPE material is more thermally stable than the unaged decaBDE-alternative material, but the discrepancy in OIT decreased with aging time and the OIT values of the two materials became similar starting with the 4 th day of aging at 165 °C. This thermal aging investigation confirmed that the mechanical durability, a key property monitored for cable qualification, was not significantly affected by the modification of the formulation with a decaBDE alternative flame-retardant system in the investigated thermal aging conditions. Further studies on the same sets of materials exposed to thermal and gamma radiation aging would further inform comparison of the materials safety-related function.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Topological Crystalline Insulator Candidate ErAsS with Hourglass Fermion and Magnetic-Tuned Topological Phase Transition

Topological crystalline insulators (TCIs) with hourglass fermion surface state have attracted a lot of attention and are further enriched by crystalline symmetries and magnetic order. Here, the emergence of hourglass fermion surface state and exotic phases in the newly discovered, air-stable ErAsS single crystals are shown. In the paramagnetic phase, ErAsS is expected to be a TCI with hourglass fermion surface state protected by the nonsymmorphic symmetry. Dirac-cone-like bands and nearly linear dispersions in large energy range are experimentally observed, consistent well with theoretical calculations. Below T N ≈ 3.27 K, ErAsS enters a collinear antiferromagnetic state, which is a trivial insulator breaking the time-reversal symmetry. An intermediate incommensurate magnetic state appears in a narrow temperature range (3.27–3.65 K), exhibiting an abrupt change in magnetic coupling. Overall, the results reveal that ErAsS is an experimentally available TCI candidate and provide a unique platform to understand the formation of hourglass fermion surface state and explore magnetic-tuned topological phase transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stroboscopic x-ray diffraction microscopy of dynamic strain in diamond thin-film bulk acoustic resonators for quantum control of nitrogen-vacancy centers

Bulk-mode acoustic waves in a crystalline material exert lattice strain through the thickness of the sample, which couples to the spin Hamiltonian of defect-based qubits such as the nitrogen-vacancy (N-V) center defect in diamond. This mechanism has previously been harnessed for unconventional quantum spin control, spin decoherence protection, and quantum sensing. Bulk-mode acoustic wave devices are also important in the microelectronics industry as microwave filters. A key challenge in both applications is a lack of appropriate operando microscopy tools for quantifying and visualizing gigahertz-frequency dynamic strain. Here, in this work, we directly image acoustic strain within N-V center-coupled diamond thin-film bulk acoustic wave resonators using stroboscopic scanning hard x-ray diffraction microscopy at the Advanced Photon Source. The far-field scattering patterns of the nanofocused x-ray diffraction encode strain information entirely through the illuminated thickness of the resonator. These patterns have a real-space spatial variation that is consistent with the bulk strain’s expected modal distribution and a momentum-space angular variation from which the strain amplitude can be quantitatively deduced. We also perform optical measurements of strain-driven Rabi precession of of the N-V center spin ensemble, providing an additional quantitative measurement of the strain amplitude. As a result, we directly measure one of the six N-V spin-stress coupling parameters, 𝑏 =2.73⁢(2) MHz/GPa, by correlating these measurements at the same spatial position and applied microwave power. Our results demonstrate a unique technique for directly imaging ac lattice strain in micromechanical structures and provide a direct measurement of a fundamental constant for the N-V center defect spin Hamiltonian.

acoustic techniques↗
DOE OSTI2024

FY24 Progress Report: Disposition of Cracks & Features Observed in the Inner Can Closure Weld Region (ICCWR) of the 3013 Package

The long-term integrity of the 3013 containers is of interest for the safe storage of Pu materials. Although the 3013 standard embodies multiple barrier concept, the integrity of the inner container is considered to be crucial since it protects the Safety Class outer container from its contents. The container is designed to withstand high pressures that could result from the complete radiolysis of the maximum water content permissible by the 3013 standard. Shelf-life studies and destructive examination have not found high gas pressures but have found that corrosive gases are generated. Pitting and stress corrosion cracking (SCC) are considered to be critical corrosion modes for the performance of the inner container and have been observed during destructive examinations. Considerable research has been conducted on the possibility of aqueous electrolytes condensing on the inner container that can promote SCC. These studies indicate the uncertainties surrounding the formation of corrosive environments and the corrosion behavior of container materials. In this initial report, a Bayesian network (BN) model is described that can consider the uncertainties and the causal connections between various factors influencing the corrosion modes of the inner container. The BN model is preliminary and provides an initial framework to identify the necessary information. The report also provides initial experimental results on the electrochemical behavior of stainless steels in anticipated condensed environments from gas phase migration of acidic gases. The experimental results are consistent with the corrosion model. Recommendation for further work on the BN model include assembling an expert group to provide input to the BN structure and quantification of the conditional probability matrix, experimental studies to characterize the microstructure of the container, electrochemical studies to identify critical potentials for localized corrosion and SCC, and crack growth rate studies

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗