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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A spatially regularized detector for emergent/re-emergent disease outbreaks

Early detection of outbreaks caused by emergent pathogens, using epidemiological surveillance data i.e., daily case counts, is difficult. This is because the data tend to be noisy during the early epoch of the outbreak. In contrast, the spread-rate of the disease tends to be well-behaved, as it depends only on the mixing patterns of the population and the characteristics of the pathogen, neither of which behave erratically in space-time. In this report, we explore whether the spread-rate can be used for epidemiological surveillance, conditional on case count data. Estimating the spread-rate from case count data allows us to exploit exogenous information, e.g., incubation period distributions etc., which can considerably smooth out any erratic temporal behavior. Further, epidemiological dynamics are spatially correlated, and if case counts are available for multiple areal units e.g., counties, these correlations could potentially be used to suppress noise in the early epoch data. These exogenous information and structure are not exploited by conventional syndromic surveillance detectors to extract a well-behaved latent variable for monitoring purposes. The technical challenge lies in the estimation of the spread-rate field jointly over a collection of areal units; further, the spread-rate varies over time. We develop a method based on mean-field variational inference to approximately estimate the spread-rate field, using a Gaussian Random Field Model for spatial regularization. The method is tested on the estimation of spread-rate in the thirty-three counties of New Mexico and detect the arrival of the Fall 2020 COVID-19 wave in September 2020. We find that the method is scalable, but underestimates the uncertainty in the estimated spread-rate field. We detect the arrival of the Fall 2020 wave a week ahead of conventional syndromic surveillance algorithms, but our simplistic detection algorithm, based on simple anomaly detection, suffers from a high false positive rate, similar to conventional detectors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Interpretation of Ion Irradiation and Neutron Irradiation Damage in Additively Manufactured 316 Stainless Steel using Multiscale Modeling

The accelerated adoption of nuclear energy necessitates advanced manufacturing technologies, such as additive manufacturing, to meet heightened supply chain requirements and support innovative reactor technologies. Due to the unique microstructural characteristics of additively manufactured materials under distinct solidification conditions, comprehensive evaluation of their performance in reactor environments is essential. The Advanced Materials and Manufacturing Technologies program under the Department of Energy's Office of Nuclear Energy focuses on understanding the irradiation performance and damage evolution of laser powder bed fusion 316 stainless steel, with an emphasis on integrating ion and neutron irradiation data to accelerate the development and qualification of materials for advanced nuclear reactor applications. While ion irradiation is a cost- and time-effective method, modeling and simulation are required to interpret the data for the broader range of irradiation conditions encountered in advanced reactors. In fiscal year 2025, integrated multiscale modeling and simulations were conducted to assess irradiation damage in additively manufactured 316 stainless steel. Key outcomes include predictions of chromium enrichment at grain boundaries, nickel enrichment at dislocation cell walls and void surfaces, and heterogeneous void evolution under ion and neutron irradiation conditions. Cluster dynamics simulations revealed the coarsening of voids at high irradiation temperatures and the suppression of void growth by high network dislocation density, while also demonstrating significant growth and coarsening of voids and self-interstitial atom loops at low dose rates. Machine learning-accelerated atomistic simulations highlighted the impact of the local environment and chromium concentration on vacancy diffusivity, providing key insights on the influence of composition on void swelling and radiation-induced segregation. Additionally, molecular dynamics simulations demonstrated the presence of defect production bias and a significant effect of carbon content on defect cluster behavior. These combined efforts aim to predict the performance of additively manufactured materials under various reactor conditions, supporting their qualification for nuclear reactor applications by interpreting ion irradiation data. This report underscores the potential of integrated multiscale modeling to analyze ion irradiation data in the effort to accelerate the qualification of additively manufactured materials for nuclear reactor components.

316 stainless steel↗
DOE OSTI2025

Fuel Assembly and Irradiation Parametric Study for Extended-Enrichment and High-Burnup Light-Water Reactor Spent Nuclear Fuel in Dry Storage Casks and Transportation Packages

There is an increased interest in operating commercial light-water reactors (LWRs) in the United States with improved economics that would result from longer fuel cycle lengths, fewer and shorter refueling outages, and fewer fuel assemblies requiring storage at the back end of the fuel cycle. To support this, fuel discharge burnups, as well as initial 235 U enrichments, must be higher than those used in current commercial LWRs. The typical upper limit considered for assembly average burnup in this report is 75 gigawatt-days (GWd) per metric ton of uranium (MTU), as opposed to the current typical upper bound of approximately 62 GWd/MTU. The upper limit considered for initial 235 U enrichment is 8 weight percent (8 wt %), as opposed to the current regulatory limit of 5 wt %. The enrichment range from 5 to 8 wt % is referred to in this report as extended enrichment . To investigate the effect of high burnup and extended enrichment conditions on dose rates and burnup credit for dry storage casks and transportation packages, a fuel assembly and irradiation parametric study was performed. The conclusions from this study will assist U.S. Nuclear Regulatory Commission staff in reviewing applications for dry storage casks and transportation packages that contain high-burnup and extended enrichment fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Direct Numerical Simulation Database of High-Speed Flow over Parameterized Curved Walls

This study presents a direct numerical simulation (DNS) database of high-speed turbulent boundary layers (TBLs) subject to pressure gradients due to parametrically varied backward-facing and forward-facing wall curvatures, with an inflow Mach number of 4.9 and a friction Reynolds number of [Formula: see text] immediately before the onset of wall curvature. The Mach and Reynolds numbers are significantly higher than those reported in the literature for the DNS of pressure-gradient TBLs. The flow conditions and baseline wall geometries are representative of experiments in the high-speed blowdown wind tunnel at the National Aerothermochemistry Laboratory at Texas A&M University. The wall steepness of the baseline geometry for both the backward-facing and forward-facing walls was systematically varied to cause attached, incipiently separated, and fully separated flows. Precomputed flow statistics, including turbulent kinetic energy budgets, are available on the website of the Turbulence Modeling Resource of the NASA Langley Research Center, allowing other investigators to query any property of interest.

Engineering↗
DOE OSTI2020

The Importance of Protein Phosphorylation for Signaling and Metabolism in Response to Diel Light Cycling and Nutrient Availability in a Marine Diatom

Diatoms are major contributors to global primary production and their populations in the modern oceans are affected by availability of iron, nitrogen, phosphate, silica, and other trace metals, vitamins, and infochemicals. However, little is known about the role of phosphorylation in diatoms and its role in regulation and signaling. We report a total of 2759 phosphorylation sites on 1502 proteins detected in Phaeodactylum tricornutum. Conditionally phosphorylated peptides were detected at low iron (n = 108), during the diel cycle (n = 149), and due to nitrogen availability (n = 137). Through a multi-omic comparison of transcript, protein, phosphorylation, and protein homology, we identify numerous proteins and key cellular processes that are likely under control of phospho-regulation. We show that phosphorylation regulates: (1) carbon retrenchment and reallocation during growth under low iron, (2) carbon flux towards lipid biosynthesis after the lights turn on, (3) coordination of transcription and translation over the diel cycle and (4) in response to nitrogen depletion. We also uncover phosphorylation sites for proteins that play major roles in diatom Fe sensing and utilization, including flavodoxin and phytotransferrin (ISIP2A), as well as identify phospho-regulated stress proteins and kinases. These findings provide much needed insight into the roles of protein phosphorylation in diel cycling and nutrient sensing in diatoms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Idaho National Laboratory Annual Report for Permit to Construct P-2015.0023 for Calendar Year 2020

The U.S. Department of Energy (DOE) Idaho National Laboratory (INL) Site operates facilities with potential emissions criteria and hazardous air pollutants. This report documents the calendar year 2020 criteria and hazardous air pollutants emissions and has been prepared to comply with permit to construct (PTC) P-2015-0023, Condition 2.9 and Idaho Administrative Procedures Act (IDAPA) 58.01.01.178, Standard Contents of Permits Establishing a Facility Emissions Cap (FEC). IDAPA 58.01.01.178.04 requires that all permits establishing a FEC shall include sufficient reporting to assure compliance with the permit establishing the FEC. Total hazardous air pollutant (HAP) emissions for the year were 0.59 tons in aggregate and the maximum individual HAP was hydrochloric acid at 0.35 tons. Criteria pollutant emissions were 1.23 tons for sulfur dioxide, 40.96 tons for oxides of nitrogen, 11.7 tons of carbon monoxide, 3.01 tons of total particulate matter and 1.98 tons of volatile organic compounds (VOC).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Aerosol Deposition Inside a Spent Fuel Transportation and Storage Canister (Interim Report)

This report documents the progress in preparing the ANSYS/Fluent ® and MELCOR models to perform characterization studies of aerosols dispersal and deposition within a select spent fuel cask system. Steady state thermal-hydraulic cask response is modeled with both codes, at present, while the MELCOR source code is being modified to allow imposed thermal-hydraulic conditions with aerosol physics calculations. This will allow the MELCOR model to assume the thermal-hydraulic calculation from the ANSYS/Fluent ® , while only computing the aerosol physics. Detailed results are presented on the thermal-hydraulic analysis of the MAGNASTOR ® cask for the current ANSYS/Fluent ® model, with convergent conditions observed over two fidelities. While the MELCOR computation computes the steady state conditions, they differ sufficiently from that computed with ANSYS/Fluent ® . The MELCOR analysis include a set of UO 2 sources to investigate system response for interim reporting. The airborne concentrations and evolving distributions are presented. Model development is anticipated to continue as additional components impacting flow conditions or aerosol deposition within the MAGNASTOR ® cask and Westinghouse fuel assemblies are identified.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Vibrational metrics for the evaluation of internal conditions in a scaled nuclear dry storage cask

In many countries, permanent repositories for high burnup spent nuclear fuel assemblies have yet to be established. As a result, much of the spent fuel from nuclear reactors is contained within dry storage casks, with many being beyond their designed service life. The assessment of the internal structural integrity of these casks and the fuel assemblies contained therein is of critical importance for both extended storage and transport to permanent repositories. The large size, structural complexity, and inaccessibility of the interior of the casks make this task challenging. To address these difficulties, a 1:6 scaled model based closely on the design of a Transnuclear (TN-32) dry storage cask was fabricated to facilitate controlled studies of these structures in the laboratory. Vibrational spectroscopy was used to evaluate the state of the cargo and internal structures within the cask utilizing only measurements on the outer surface. Using modes identified through Finite Element modeling corresponding to those previously measured on a full-scale TN-32 cask, we report on the development of amplitude- and phase-based metrics that are sensitive to internal conditions in the lab cask. Steel rod bundles and steel shot were used as surrogates for intact and damaged fuel assemblies, and various internal configurations of these materials were investigated. Finally, the metrics were based on acquired spectra involving the (1, 2) global bending mode and the (2, 1) radial-with-shearing mode. The results show that the metrics are sensitive to the condition of a single assembly and have some ability to determine the locations of damaged and empty slots.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Structural evidence for a dynamic metallocofactor during N 2 reduction by Mo-nitrogenase

The enzyme nitrogenase uses a suite of complex metallocofactors to reduce dinitrogen (N 2 ) to ammonia. Mechanistic details of this reaction remain sparse. We report a 1.83-angstrom crystal structure of the nitrogenase molybdenum-iron (MoFe) protein captured under physiological N 2 turnover conditions. This structure reveals asymmetric displacements of the cofactor belt sulfurs (S2B or S3A and S5A) with distinct dinitrogen species in the two αβ dimers of the protein. The sulfur-displaced sites are distinct in the ability of protein ligands to donate protons to the bound dinitrogen species, as well as the elongation of either the Mo–O5 (carboxyl) or Mo–O7 (hydroxyl) distance that switches the Mo-homocitrate ligation from bidentate to monodentate. These results highlight the dynamic nature of the cofactor during catalysis and provide evidence for participation of all belt-sulfur sites in this process.

Science & Technology - Other Topics↗
DOE OSTI2023

Preliminary prediction of long-term aging and creep behavior of AM 316 SS

This report describes the development of initial mechanism models for the long term behavior of additively manufactured (AM), laser powder-bed fusion 316H stainless steel under the conditions expected in future advanced nuclear reactors. These models focus on key features of the material microstructure and response that differ from the conventionally-manufactured wrought material. Specifically, the report describes the development of models to capture the unique response of the AM material focusing on irradiation creep and swelling, the effect of internal stress, for example caused by dislocation structure, on precipitation, and the effect of the AM grain and dislocation structure on the macroscale creep and thermal aging behavior. This single mechanism models represent progress towards a complete, physics-based model for the long-term material behavior as well as elucidate key differences in the AM material behavior, when compared to the better-understood, conventionally-manufactured 316H.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Progress Report for a 44-month Aging Study on Nitroplasticizer (NP) Stability – Summary of KF and TGA Results

In the past few years, a 44-month long aging experiment was conducted under various aging conditions. The properties of aged nitroplasticizer (NP) samples were analyzed using Fourier transform infrared spectroscopy, Karl Fischer (KF) titration, thermogravimetric analysis (TGA), liquid chromatography tandem quadrupole time of flight mass spectrometry, and ion chromatography. In this progress report, complete KF and TGA results are reported and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Complex Changes in Membrane Lipids Associated with the Modification of Autophagy in Arabidopsis

Autophagy is a conserved mechanism among eukaryotes that degrades and recycles cytoplasmic components. Autophagy is known to influence the plant metabolome, including lipid content; however, its impact on the plant lipidome is not fully understood, and most studies have analyzed a single or few mutants defective in autophagy. To gain more insight into the effect of autophagy on lipid concentrations and composition, we quantitatively profiled glycerolipids from multiple Arabidopsis thaliana mutants altered in autophagy and compared them with wild-type seedlings under nitrogen replete (+N; normal growth) and nitrogen starvation (−N; autophagy inducing) conditions. Mutants include those in genes of the core autophagy pathway, together with other genes that have been reported to affect autophagy. Using Matrix-Assisted Laser Desorption/Ionization—Mass Spectrometry (MALDI-MS), we imaged the cellular distribution of specific lipids in situ and demonstrated that autophagy and nitrogen treatment did not affect their spatial distribution within Arabidopsis seedling leaves. We observed changes, both increases and decreases, in the relative amounts of different lipid species in the mutants compared to WT both in +N and −N conditions, although more changes were seen in −N conditions. The relative amounts of polyunsaturated and very long chain lipids were significantly reduced in autophagy-disrupted mutants compared to WT plants. Collectively, our results provide additional evidence that autophagy affects plant lipid content and that autophagy likely affects lipid properties such as chain length and unsaturation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Atomically dispersed palladium catalyses Suzuki–Miyaura reactions under phosphine-free conditions

Single-atom catalysts have emerged as a new frontier in catalysis science. However, their applications are still limited to small molecule activations in the gas phase, the classic organic transformations catalyzed by single-atom catalysts are still rare. Here, we report the use of a single-atom Pd catalyst for the classic Suzuki–Miyaura carbon–carbon coupling reaction under phosphine-free and open-air conditions at room temperature. The single-atom Pd catalyst is prepared through anchoring Pd on bimetal oxides (Pd-ZnO-ZrO 2 ). The significant synergetic effect of ZnO and ZrO 2 is observed. The catalyst exhibits high activity and tolerance of a wide scope of substrates. Characterization demonstrates that Pd single atoms are coordinated with two oxygen atoms in Pd-ZnO-ZrO 2 catalyst. The catalyst can be fabricated on a multi-gram scale using a simple in situ co-precipitation method, which endows this catalytic system with great potential in practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Correcting the PFNS for more consistent fission modeling

For FY20, we had a deliverable to write a report detailing efforts to simultaneously evaluate both the prompt neutron multiplicity, $\overline{ν}$, and the prompt neutron fission neutron spectrum, PFNS, using CGMF. CGMF is the LANL-developed fission fragment decay code that consistently evaporates prompt neutrons and γ rays using the Hauser-Feshbach statistical theory of compound reactions. The decay begins by constructing the initial conditions of the fission fragments, then decaying each one from the excited state by neutrons and γ rays, conserving energy, momentum, spin, and parity in each step of the emission. The initial conditions of the fragments, along with the multiplicity, energy, and direction of each emitted neutron or γ ray, are recorded, allowing for the full reconstruction of the fission event. These event histories allow us to reconstruct average quantities, as well as correlations between observables, that can be compared with experimental or evaluated data. In that initial report, although there was already a favorable comparison between $\overline{ν}$ from CGMF, experiment, and the current ENDF/B-VIII.0 evaluation, we showed that there was still significant work to be done to improve the PFNS from CGMF. Historically, the PFNS is calculated too soft by Hauser-Feshbach fission models, and CGMF is no exception. The incorrect shape presents a significant challenge in fission modeling, including for our understanding of the fission process and for our ability to consistently calculate and predict a variety of prompt fission observables (such as fission fragment initial conditions, neutron and γ-ray multiplicities and energies, and the correlations between all observables). In our companion report, we detail our success in using CGMF to evaluate $\overline{ν}$. Although not included in the optimization explicitly, we also keep the initial conditions of the fission fragments physical, along with reproducing reasonably well the neutron multiplicity distribution. As we would expect from the sensitivities calculations from, the average neutron energies change very little from the $\overline{ν}$ optimization along with the PFNS (as will be shown in Sec. 2.6). The conclusion was that the global and statistical models would have to be investigated instead of just the fission fragment initial conditions (as is sufficient for $\overline{ν}$). This report details those efforts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Mo-100 Disk Structural Integrity Tests II

This report is a continuation of the work performed in the report, Mo-100 Disk Structural Integrity Tests I [1]. The NorthStar pressed and sintered 29 mm diameter, 0.5 mm thick Mo-100 disks will be subjected to large temperature gradients when in-beam during production. These large temperature gradients cause high stress and deformation within the disks that could prove detrimental to the target assembly’s cooling performance. Disk fracture is also a possibility that must be understood. Therefore, disk structural integrity tests were performed to understand the thermal induced behavior of these disks. In order to replicate the in-beam conditions, the Mo-100 disks were subjected to large temperature gradients using a 30kW induction heater and coil. A series of transient tests were conducted in a similar fashion as the previous work, as well as an attempt to create steady state conditions for more accurate temperature gradients. The transient thermal test setup and results are described in this report.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High- Q Microwave Dielectric Resonator for Axion Dark-Matter Haloscopes

The frequency band 1–15 GHz provides exciting prospects for resonant axion haloscopes as indicated by cosmological and astrophysical arguments. Among the challenges currently addressed to reach the required sensitivity, the development of high-quality factor cavities that tolerate multitesla fields plays a central role. We report a three-dimensional resonator based on a right-circular copper cavity with hollow cylinders that confine higher-order modes around the cylinder axis. Its effective volume at 10.3 GHz is 3.4 × 10 − 2 l, and under an 8-T field we measure an internal quality factor of more than nine million. A fine-tuning system limited to approximately 1 -MHz range is tested, useful for understanding the conditions required to run a haloscope with a cavity exceeding the axion quality factor. The cavity parameters we report demonstrate the potential of this unique resonator to probe galactic dark-matter axion at scan rates exceeding 2 MHz/day when the cavity is readout by a quantum-limited receiver.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗