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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 289 records · Page 16

Abatement of ionizing radiation for superconducting quantum devices

Ionizing radiation has been shown to reduce the performance of superconducting quantum circuits. In this report, we evaluate the expected contributions of different sources of ambient radioactivity for typical superconducting qubit experiment platforms. Our assessment of radioactivity inside a typical cryostat highlights the importance of selecting appropriate materials for the experiment components nearest to qubit devices, such as packaging and electrical interconnects. We present a shallow underground facility (30-meter water equivalent) to reduce the flux of cosmic rays and a lead shielded cryostat to abate the naturally occurring radiogenic gamma-ray flux in the laboratory environment. We predict that superconducting qubit devices operated in this facility could experience a reduced rate of correlated multi-qubit errors by a factor of approximately 20 relative to the rate in a typical above-ground, unshielded facility. Finally, we outline overall design improvements that would be required to further reduce the residual ionizing radiation rate, down to the limit of current generation direct detection dark matter experiments.

47 OTHER INSTRUMENTATION↗

COSMIC DAWN: Distributed Analysis of Wireless at Nextscale

Distributed Analysis of Wireless at Nextscale (DAWN) is a novel simulation framework for large-scale design-space exploration (DSE) of unmodified software-defined radio (SDR) applications interacting in a scalable, high-fidelity, virtual physics environment. The software-defined nature of the coupled software-physics simulation leverages hardware emulation to permit in-depth examination and modification of not only the electromagnetic environment, including each signal in flight, but also the precise state of system software and components. DAWN supports modular, customizable physics environments allowing realistic propagation effects so that computationally efficient empirical models, reduced order/surrogate models, or large-scale, high-fidelity, site-specific simulations can be used as a propagation medium based on scenario requirements. This paper introduces DAWN’s design and initial implementation, detailing key architectural components, including the Physics Realization Engine (PhyRE), Runtime Infrastructure for Simulation Environments (RISE), and the design space exploration (DSE) suite. It concludes with demonstrations using unmodified 4G/LTE software available from srsRAN on computing resources ranging from a small cluster to ORNL’s Frontier Exascale system.

Wise, Mike [ORNL] (ORCID:0000000266120641)↗

Understanding the efficacy of concentrated interstitial carbon in enhancing the pitting corrosion resistance of stainless steel

By introducing a high fraction of interstitial carbon through low temperature carburization, the pitting corrosion resistance of austenitic stainless steel can be significantly improved. Previous work attributed this to strengthening of the passive film by carbon. Here, however, we present a paradigm shift by showing that carbon actually weakens the passive film but strengthens the bonding within the alloy by forming localized (covalent) bonds with the metal atoms (Fe, Cr, Ni). Accordingly, the enhancement in pitting resistance is a result of carbon reducing the metal dissolution rate in a local pit environment by many orders of magnitude, which extremely decreases the growth stability of a pit and prevents it from transitioning into stable growth. Electronic structure calculations confirm that carbon bonds to the metal atoms and that the metal–carbon bonds are 1.4 to 2.0 times stronger than the metal–metal bonds. These results suggest a new strategy for the design of corrosion resistant alloys, namely surface engineering by infusion of concentrated interstitials that form strong bonds with the matrix atoms.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Soybean fallow and nitrification inhibitors: Strategies to reduce N 2 O emission intensities and N losses in Australian sugarcane cropping systems

The Australian sugar industry is facing mounting pressure to reduce the nitrogen (N) losses and nitrous oxide (N 2 O) emissions associated with N fertiliser use. Research has shown that N 2 O emissions from sugarcane (Saccharum officinarum L.) cropping systems can be reduced with the use of fertilisers coated with nitrification inhibitors, or by sowing legume crops in the fallows between sugarcane crop cycles. However, the efficacy of these two N management strategies across different climatic zones is still unclear, as results from field studies have been contradictory. The objectives of this study were therefore to use the DayCent model to assess the long-term effects of the two strategies (separately or in combination) on N 2 O emissions, N losses and yields. The model was parameterised using data from eight field experiments (39 treatments) conducted across four of the five main districts of the Australian sugarcane industry. A series of long-term scenarios embracing a range of N fertiliser rates (0- 160 kg N ha -1 applied as urea), climatic regions (Tropics and Subtropics), soil textures (fine- and coarse-textured soils) and N-loss risk scenarios (crop fertilised well before or close to the on-set of the wet season) were tested for both N management strategies. Simulations identified that the combined use of soybean (Glycine max L.) fallows and N fertiliser coated with the 3,4-dimethylpyrazole phosphate (DMPP) nitrification inhibitor was the most effective strategy to maintain or even increase current yields while significantly reducing N 2 O and cumulative N (mainly due to nitrate) losses. When used alone, the soybean fallow strategy on average reduced N losses over the entire crop cycle by 29 % compared with current industry best practice. However, this strategy showed a limited capacity to reduce N 2 O emissions over the entire cane crop cycle (median: -3% compared with current industry best practice), or even increased them in scenarios at high-risk of N losses in the Tropics. The use of urea coated with DMPP alone allowed current fertiliser N rates to be reduced by 30 % without any substantial yield penalty. In environments prone to high N losses, DMPP urea abated overall N losses and N 2 O emissions by 41 % and 30 %, respectively. This was the first study to use such an extensive dataset to parameterise a biogeochemical model for yields, N 2 O emissions and N losses in sugarcane cropping systems. Finally, the findings will be instrumental in guiding future research and policies designed to improve the profitability and environmental sustainability of this industry.

54 ENVIRONMENTAL SCIENCES↗

Megahertz-rate shock-wave distortion cancellation via phase conjugate digital in-line holography

Abstract Holography is a powerful tool for three-dimensional imaging. However, in explosive, supersonic, hypersonic, cavitating, or ionizing environments, shock-waves and density gradients impart phase distortions that obscure objects in the field-of-view. Capturing time-resolved information in these environments also requires ultra-high-speed acquisition. To reduce phase distortions and increase imaging rates, we introduce an ultra-high-speed phase conjugate digital in-line holography (PCDIH) technique. In this concept, a coherent beam passes through the shock-wave distortion, reflects off a phase conjugate mirror, and propagates back through the shock-wave, thereby minimizing imaging distortions from phase delays. By implementing the method using a pulse-burst laser setup at up to 5 million-frames-per-second, time-resolved holograms of ultra-fast events are now possible. This technique is applied for holographic imaging through laser-spark plasma-generated shock-waves and to enable three-dimensional tracking of explosively generated hypersonic fragments. Simulations further advance our understanding of physical processes and experiments demonstrate ultra-high-speed PCDIH techniques for capturing dynamics.

Science & Technology - Other Topics↗

Electron beam surface remelting enhanced corrosion resistance of additively manufactured Ti-6Al-4V as a potential in-situ re-finishing technique

This study explores the effect of surface re-finishing on the corrosion behavior of electron beam manufactured (EBM) Ti-G5 (Ti-6Al-4V), including the novel application of an electron beam surface remelting (EBSR) technique. Specifically, the relationship between material surface roughness and corrosion resistance was examined. Surface roughness was tested in the as-printed (AP), mechanically polished (MP), and EBSR states and compared to wrought (WR) counterparts. Electrochemical measurements were performed in chloride-containing media. It was observed that surface roughness, rather than differences in the underlying microstructure, played a more significant role in the general corrosion resistance in the environment explored here. While both MP and EBSR methods reduced surface roughness and enhanced corrosion resistance, mechanical polishing has many known limitations. The EBSR process explored herein demonstrated positive preliminary results. The surface roughness (R a ) of the EBM-AP material was considerably reduced by 82%. Additionally, the measured corrosion current density in 0.6 M NaCl for the EBSR sample is 0.05 µA cm –2 , five times less than the value obtained for the EBM-AP specimen (0.26 µA cm –2 ).

42 ENGINEERING↗

National serosurvey and risk mapping reveal widespread distribution of Coxiella burnetii in Kenya

Coxiella burnetii, the causative agent of Q fever, is an emerging pathogen that has the potential to cause severe chronic infections in animals and humans worldwide. The detrimental impact on public health is projected to be higher in the low- and middle-income countries given their lower capacity to sustain effective surveillance and response measures. We implemented a national serosurvey of cattle in Kenya to map the spatial distribution of the pathogen. The study used serum samples that were collected from randomly selected cattle in different ago-ecological zones across the country. These samples were screened for the pathogen using PrioCHECK Ruminant Q Fever AB Plate ELISA kit. The laboratory findings were analyzed using INLA package to identify risk factors for C. burnetii exposure from herd- and animal-level factors, area, and bioclimatic datasets accessed from online databases. A total of 6,593 cattle were recruited for the study; of these, 7.9% (95% CI; 7.2–8.5) were seropositive. Outputs from the multivariable analysis revealed that the animal age and some of the geographical variables including wind speed, area under shrubs and “petric calcisols” type of soil were significantly associated with C. burnetii seropositivity. Being a calf, weaner or subadult was associated with lower odds of exposure compared to being an adult by 0.24 (credibility interval: 2.5% and 97.5%), 0.41 (0.30–0.55) and 0.51 (0.38–0.69), respectively. In addition, a unit increase in the wind speed increased the odds of C. burnetii seropositivity by 1.27 (1.05–1.52) while an increase on the land area under shrubs was associated with lower odds of exposure (0.67 [0.47–0.69]). The effect of petric calcisols was non-linear; an increase of the land area with this soil type was associated with an exponential increase in C. burnetii seropositivity. This study provides new data on C. burnetii seroprevalence, information of its risk factors and a prevalence map that can be used for C. burnetii risk surveillance and control. The identification of environmental risk factors for C. burnetii exposure, and the increasing awareness of the zoonotic potential of the pathogen, calls for the need to enhance the existing collaborations for the surveillance and control of C. burnetii in line with the One Health framework. The evidence generated on the potential role of environmental factors can also be used to design nature-based interventions, such as replacement of vegetation in denuded areas, to reduce potential for the aerosolization of the pathogen. Livestock vaccination in the hotspots would also reduce animal infections and hence the contamination of the environment.

60 APPLIED LIFE SCIENCES↗

Intelligence-assisted predesign for the sustainable recycling of lithium-ion batteries and beyond

The unprecedented consumption of lithium-ion batteries (LIBs) is occurring to meet the needs of modern transportation electrification. Recycling-friendly designs intrinsically facilitate the long-term sustainable utilization of natural resources, reducing the detrimental impacts of spent LIBs on the environment, and improving the economic viability of recycling. For this, we propose the incorporation of an intelligence-assisted predesign strategy into the battery-management system and battery chemistry, including ameliorating the traceability of battery structure and operation status, promoting cost-effective material sorting and separation, and adopting sustainable battery materials. The purposeful predesign of intelligent “Reuse–Refurbish–Recover” (3R) LIBs could be realized in an economically and environmentally sustainable (EES) manner. We report the intelligence-assisted predesign strategy will promote multi-disciplinary cooperation in a systematic and synergetic way; in addition, it will empower governments to establish and implement a series of regulations and standards for addressing the environmental pollution issues from spent batteries, thus avoiding the ever-increasing consumption of natural resources.

25 ENERGY STORAGE↗

Radiolytic evaluation of a new technetium redox control reagent for advanced used nuclear fuel separations

Technetium is a problematic radioisotope for used nuclear fuel (UNF) and subsequent waste management owing to its high environmental mobility and coextraction in reprocessing technologies as the pertechnetate anion (TcO 4 - ). Consequently, several strategies are under development to control the transport of this radioisotope. A proposed approach is to use diaminoguanidine (DAG) for TcO 4 - and transuranic ion redox control. Although the initial DAG molecule is ultimately consumed in the redox process, its susceptibility to radiolysis is currently unknown under envisioned UNF reprocessing conditions, which is a critical knowledge gap for evaluating its overall suitability for this role. To this end, we report the impacts of steady-state gamma irradiation on the rate of DAG radiolysis in water, aqueous 2.0 M nitric acid (HNO 3 ), and in a biphasic solvent system composed of aqueous 2.0 M HNO 3 in contact with 1.5 M N,N-di-(2-ethylhexyl)isobutyramide (DEHiBA) dissolved in n-dodecane. In addition, we report chemical kinetics for the reaction of DAG with key transients arising from electron pulse radiolysis, specifically the hydrated electron (e aq - ), hydrogen atom (H ˙ ), and hydroxyl ( ˙ OH) and nitrate (NO 3 ˙ ) radicals. The DAG molecule exhibited significant reactivity with the ˙ OH and NO 3 ˙ radicals, indicating that oxidation would be the predominant degradation pathway in radiation environments. This is consistent with its role as a reducing agent. Steady-state gamma irradiations demonstrated that DAG is readily degraded within a few hundred kilogray, the rate of which was found to increase upon going from water to HNO 3 containing solutions and solvents systems. This was attributed to a thermal reaction between DAG and the predominant HNO 3 radiolysis product, nitrous acid (HNO 2 ), k(DAG + HNO 2 ) = 5480 ± 85 M -1 s -1 . Although no evidence was found for the radiolysis of DAG altering the radiation chemistry of the contacted DEHiBA/n-dodecane phase in the investigated biphasic system, the utility of DAG as a redox control reagent will likely be limited by significant competition with its degradation by HNO 2 .

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Stochastic equation of motion approach to fermionic dissipative dynamics. I. Formalism

In this work, we establish formally exact stochastic equation of motion (SEOM) theory to describe the dissipative dynamics of fermionic open systems. The construction of the SEOM is based on a stochastic decoupling of the dissipative interaction between the system and fermionic environment, and the influence of environmental fluctuations on the reduced system dynamics is characterized by stochastic Grassmann fields. Meanwhile, numerical realization of the time-dependent Grassmann fields has remained a long-standing challenge. To solve this problem, we propose a minimal auxiliary space (MAS) mapping scheme with which the stochastic Grassmann fields are represented by conventional c-number fields along with a set of pseudo-levels. This eventually leads to a numerically feasible MAS-SEOM method. The important properties of the MAS-SEOM are analyzed by making connection to the well-established time-dependent perturbation theory and the hierarchical equations of motion theory. The MAS-SEOM method provides a potentially promising approach for the accurate and efficient simulation of fermionic open systems at ultra-low temperatures.

Han, Lu (ORCID:0000000339002225)↗

A patterned phase-changing vanadium dioxide film stacking with VO 2 nanoparticle matrix for high performance energy-efficient smart window applications

A vanadium dioxide (VO 2 ) based solid-to-solid phased changing material has been attracting great interest in smart window applications. However, achieving high solar modulation and high transparency simultaneously in visible light is the major challenge for the practical application of this smart material. To resolve this issue, in this paper, a smart film composed of a VO 2 nanoparticle matrix and a patterned VO 2 film is presented. Furthermore, numerical modeling and electromagnetic simulation are carried out to characterize the performance in terms of solar modulation and luminous transmittance, and a parametric study is carried out to optimize the proposed smart window film. Compared with the VO 2 nanoparticle matrix, the proposed structure can obtain 23% solar modulation and 57% luminous transmittance but with a much thinner thickness, which will significantly reduce the cost and fabrication complexity and extend the environment stability.

42 ENGINEERING↗

Probing the optical properties and toxicological profile of zinc tungstate nanorods

Zinc tungstate is a semiconductor known for its favorable photocatalytic, photoluminescence, and scintillation properties, coupled with its relatively low cost, reduced toxicity, and high stability in biological and catalytic environments. In particular, zinc tungstate evinces scintillation properties, namely the ability to emit visible light upon absorption of energetic radiation such as x rays, which has led to applications not only as radiation detectors but also for biomedical applications involving the delivery of optical light to deep tissue, such as photodynamic therapy and optogenetics. Here, we report on the synthesis of zinc tungstate nanorods generated via an optimized but facile method, which allows for synthetic control over the aspect ratio of the as-synthesized anisotropic motifs via rational variation of the solution pH. Additionally, we investigate the effect of aspect ratio on their resulting photoluminescent and radioluminescent properties. We further demonstrate the potential of these zinc tungstate nanorods for biomedical applications, such as photodynamic therapy for cancer treatment, by analyzing their toxicological profile within cell lines and neurons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The diversity and evolution of microbial dissimilatory phosphite oxidation

Significance Geochemical models of the phosphorus (P) cycle uniquely ignore microbial redox transformations. Yet phosphite is a reduced P source that has been detected in several environments at concentrations that suggest a contemporary P redox cycle. Microbial dissimilatory phosphite oxidation (DPO) converts soluble phosphite into phosphate, and a false notion of rarity has limited our understanding of its diversity and environmental distribution. Here we demonstrate that DPO is an ancient energy metabolism hosted by taxonomically diverse, autotrophic bacteria that exist globally throughout anoxic environments. DPO microorganisms are therefore likely to have provided bioavailable phosphate and fixed carbon to anoxic ecosystems throughout Earth’s history and continue to do so in contemporary environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of Photovoltaic Module Materials and Design on Module Deformation Under Load

Quasi-static structural finite-element models of an aluminum-framed crystalline silicon photovoltaic module and a glass-glass thin-film module were constructed and validated against experimental measurements of deflection under uniform pressure loading. Specific practices in the computational representation of module assembly were identified as influential to matching experimental deflection observations. Additionally, parametric analyses using Latin hypercube sampling were performed to propagate input uncertainties related to module materials, dimensions, and tolerances into uncertainties in simulated deflection. Sensitivity analyses were performed on the uncertainty quantification datasets using linear correlation coefficients and variance-based sensitivity indices to elucidate key parameters influencing module deformation. Results identified edge tape and adhesive material properties as being strongly correlated to module deflection, suggesting that optimization of these materials could yield module stiffness gains at par with the conventionally structural parameters, such as glass thickness. This exercise verifies the applicability of finite-element models for accurately predicting mechanical behavior of solar modules and demonstrates a workflow for model-based parametric uncertainty quantification and sensitivity analysis. Finally, applications of this capability include the assessment of field environment loads, derivation of representative loading conditions for reduced-scale testing, and module design optimization, among others.

42 ENGINEERING↗

UrbanScaping: Community Spatial Data Visualization & Analytics

Evaluating the electrification potential of buildings through retrofitting is crucial for reducing carbon emissions and the carbon footprint of built environments. This study leverages the Automatic Building Energy Modeling (AutoBEM) software, integrating the Model America database to create an urban context-based spatial analysis platform for community engagement and development. We selected Camp Hill Borough, PA, as a case study to analyze building-specific energy performance and evaluate the electrification potential of each building by switching to different Heating, Ventilation, and Air Conditioning (HVAC) systems and measurement components. The simulation results generated by the workflow provide retrofitting suggestions to help mitigate the carbon footprint as well as energy saving statistics of buildings. Additionally, the developed web-based interface serves as a community engagement platform, allowing residents to provide feedback and further develop interactive communication protocols. The outcomes of this project offer a baseline for community electrification planning and contribute to the design of low-carbon communities.

Chowdhury, Shovan [ORNL]↗

Safety Functions and Features, Events and Processes for the E-Area Performance Assessment

The DOE Technical Standard, “Disposal Authorization Statement and Tank Closure Documentation,” (DOE 2017) recommends the use of safety functions and features, events and processes (FEPs) to support development of conceptual models and identification of scenarios to be considered in a performance assessment (PA). The FEP process provides a means to describe how a PA considers and addresses the factors that could influence the performance of key barriers. Understanding the roles of barriers in terms of limiting migration helps to focus on how changes in the system could lead to a situation where those roles cannot be fulfilled and there is the potential for compromised performance. The FEPs screening and review process was used to identify FEPs that are relevant for the EArea Low-Level Waste Facility (LLWF) and specifically those FEPs that could have a detrimental impact on the effectiveness of a given safety function. For this PA, a default list of FEPs developed at the International Atomic Energy Agency (IAEA 2004) and an approach implemented for PAs at the Hanford and Idaho sites (Mehta et al. 2016, DOE-ID 2019) are used to identify processes and events that could influence the effectiveness of a given safety function for the E-Area LLWF (e.g., subsidence can impact the safety function of the cover system and lead to increased infiltration). The Hanford and Idaho PAs represent two of the most recent applications of this approach. The PA evaluates the potential impacts of changes in performance of different features of the system and demonstrates that the safety functions represent multiple and redundant barriers. Barrier analyses, assuming a safety function is not present, also test the robustness of the system in the event of the loss of one or more safety functions. Such evaluations also support a qualitative illustration of the concept of defense in depth. The safety concept for closure of the E-Area LLWF (generically referred to as “E-Area”) encompasses a variety of different features (i.e., administrative controls, natural site features, and engineered barriers) that reduce the potential impacts on human health and the environment from the residual waste that will remain after closure. These features can be represented as a collection of safety functions acting independently and as a system to provide for overall safety. In some applications, there have been attempts to assign numerical expectations to specific safety functions, but that is not the intent in this case. The concept of safety functions is used more qualitatively in two ways for this PA: 1. To illustrate the robustness of the E-Area design, operational practices and closure approach by documenting features that are and are not credited in different modeling cases. 2. To identify the roles of the different features and potential processes and events that could compromise the performance of safety features and need to be considered when developing the modeling approach. This report addresses both safety functions and FEPs for the E-Area PA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

FIU Project 2: Environmental Remediation Science & Technology [Slides]

FIU’s research under this project involves conducting basic and applied science to fill knowledge gaps and validate potential remediation technologies for contaminated soil and groundwater and the assessment of the fate and transport of contaminants in the environment. The aim of FIU’s research is to reduce the potential for contaminant mobility or toxicity in the surface and subsurface through the development and application of state-of-the-art scientific and environmental remediation technologies at the Hanford Site, Savannah River Site (SRS), and the Waste Isolation Pilot Plant (WIPP), which is the Nation’s only mined geologic repository for permanent disposal of transuranic waste. FIU collaborates with scientists from Pacific Northwest National Laboratory (PNNL), Savannah River National Laboratory (SRNL), Savannah River Ecology Laboratory (SREL), Los Alamos National Laboratory (LANL) and the DOE Carlsbad Field Office (CBFO) in order to plan and execute research that is synergistic with the work being conducted at the sites, and that supports the resolution of critical science and engineering needs which leads to a better understanding of the long-term behavior of subsurface contaminants. The knowledge gained through this research will be used to transform experimental and modeling innovations into practical applications deployed at the sites to support EM’s primary goal of expediting the closure of major contaminated soil and groundwater sites and waste units. Collaborative relationships between FIU and the national laboratories have provided large benefits over the years to FIU, the national laboratories, the DOE complex, and the DOE EM mission. By working closely with the national laboratories, FIU’s research is not only closely aligned with the cleanup mission priorities at the DOE sites, but complements and supports ongoing work at the national laboratories for screening of new remedial technologies. This coordination and leveraging of research efforts results in time- and cost-savings, and will accelerate progress of the DOE EM environmental restoration mission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗