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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Mesoscale modeling of intergranular bubble percolation in nuclear fuels

Phase-field simulations are used to examine the variability of intergranular fission gas bubble growth and percolation on uranium dioxide grain boundaries on a mesoscopic length scale. Three key parameters are systematically varied in this study: the contact angle (or dihedral angle) defining the bubble shape, the initial bubble density on the grain boundary plane, and the ratio of the gas diffusivity on the grain boundary versus the grain interiors. The simulation results agree well with previous experimental data obtained for bubble densities and average bubble areas during coalescence events. Interestingly, the rate of percolation is found to be highly variable, with a large dependency on the contact angle and the initial bubble density and little-to-no dependency on the grain boundary gas diffusivity.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Aerodynamic levitator for in situ x-ray structure measurements on high temperature and molten nuclear fuel materials

An aerodynamic levitator with carbon dioxide laser beam heating was integrated with a hermetically sealed controlled atmosphere chamber and sample handling mechanism. The system enabled containment of radioactive samples and control of the process atmosphere chemistry. The chamber was typically operated at a pressure of approximately 0.9 bars to ensure containment of the materials being processed. Samples 2.5-3 mm in diameter were levitated in flowing gas to achieve containerless conditions. Levitated samples were heated to temperatures of up to 3500 °C with a partially focused carbon dioxide laser beam. Sample temperature was measured using an optical pyrometer. The sample environment was integrated with a high energy (100 keV) x-ray synchrotron beamline to enable in situ structure measurements to be made on levitated samples as they were heated, melted, and supercooled. The system was controlled from outside the x-ray beamline hutch by using a LabVIEW program. Measurements have been made on hot solid and molten uranium dioxide and binary uranium dioxide-zirconium dioxide compositions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Mortality of older construction and craft workers employed at department of energy nuclear sites: Follow‐up through 2016

Abstract Background To determine if construction and trades workers employed at U.S. Department of Energy (DOE) nuclear sites facilities are at significant risk for diseases associated with occupational exposures, we compared the mortality experience of participants in the Building Trades National Medical Screening Program (BTMed) to that of the US population. Methods The cohort includes 24,086 BTMed participants enrolled between 1998 and 2016 and 5203 deaths. Cause‐specific standardized mortality ratios were calculated based on US death rates. Results Mortality was elevated for all causes, all cancers, cancers of the trachea, bronchus, and lung and lymphatic and hematopoietic system, mesothelioma, chronic obstructive pulmonary disease, asbestosis, transportation injuries, and other injuries, particularly those caused by accidental poisoning, suggesting a possible effect of the opioid epidemic. Conclusions Apart from other injuries, mortality patterns were very similar to those reported in the past in this population. Construction workers employed at DOE sites have a significantly increased risk for occupational illnesses. Risks are associated with employment during all time periods covered including possibly after 1990. The cancer risks closely match the cancers identified for DOE compensation from radiation exposures. The high risk of lung cancer supports the value of early lung cancer detection. Continued medical surveillance is important.

Ringen, Knut↗
DOE OSTI2022

Diffusion Monte Carlo approaches for studying nuclear quantum effects in fluxional molecules

Abstract Diffusion quantum Monte Carlo (DMC) provides a powerful approach for obtaining the ground state energy and wave function of molecules, ions, and molecular clusters. The approach is uniquely well suited for studies of fluxional molecules, which undergo large amplitude vibrational motions even in their ground state. In contrast to the electronic structure problem, where the wave function must be antisymmetric with respect to exchange of any pair of electrons, the wave function for the ground vibrational state is nodeless. This greatly simplifies the application of DMC for vibrational problems. Because there is not a single potential function that can be used to describe the intramolecular and intermolecular interactions in all molecular systems, most methods that are used to describe nuclear quantum effects rely on a carefully chosen zero‐order description of the molecular vibrations. In contrast, DMC calculations can be performed in Cartesian coordinates, making the DMC algorithm easily transferable between different chemical systems. In this contribution, the theory that underlies DMC will be discussed along with important considerations for performing DMC calculations. Extensions for evaluating vibrationally excited states and molecular properties are also discussed. Insights that can be obtained from DMC calculations are illustrated in the context of the protonated water clusters. This article is categorized under: Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods Theoretical and Physical Chemistry > Spectroscopy

Chemistry↗
DOE OSTI2020

A Probabilistic Model-Based Diagnostic Framework for Nuclear Engineering Systems

A fault diagnostic framework was investigated in this study for applications in thermal–hydraulic systems of nuclear power plants. The proposed framework consists of quantitative model-based diagnosis, statistical change detection and probabilistic reasoning. The use of physics-based diagnostic models provides high detection sensitivity and allows noise and measurement uncertainty to be incorporated robustly. Performance-related parametric models for each component are constructed based on first principles. Numerical model residuals are generated using the concept of analytical redundancy. Statistical change detection methods are employed to detect non-zero residuals in the presence of uncertainty. The diagnosis task is performed using Bayesian inference to detect and localize possible faults. Application to a single-phase heat exchanger for demonstration showed that the proposed probabilistic framework can provide improved results in comparison with traditional approaches while remaining less sensitive to false alarms in the presence of measurement and modeling uncertainty.

Bayesian network↗
DOE OSTI2018

Identification of major matrix metalloproteinase-20 proteolytic processing products of murine amelogenin and tyrosine-rich amelogenin peptide using a nuclear magnetic resonance spectroscopy based method

Objective: The aim of this study was to identify major matrix metalloproteinase-20 (MMP20) proteolytic processing products of amelogenin over time and determine if the tyrosine-rich amelogenin peptide (TRAP) was a substrate of MMP20. Design: Recombinant 15N-labeled murine amelogenin and 13C,15N-labeled TRAP were incubated with MMP20 under conditions where amelogenin self-assembles into nanospheres. Digestion products were fractionated by reverse-phase high-performance liquid chromatography at various time points. Product identification took advantage of the intrinsic disorder property of amelogenin that results in little change to its fingerprint 1H-15N heteronuclear single-quantum coherence nuclear magnetic resonance spectrum in 2% acetic acid upon removing parts of the protein, allowing cleavage site identification by observing which amide cross peaks disappear. Results: The primary product in five out of the six major reverse-phase high-performance liquid chromatography bands generated after a 24 hour incubation of murine amelogenin with MMP20 were: S55-L163, P2-L147, P2-E162, P2-A167, and P2-R176. After 72 hours these products were replaced with five major reverse-phase high-performance liquid chromatography bands containing: L46-A170, P2-S152, P2-F151, P2-W45, and short N-terminal peptides. TRAP was completely digested by MMP20 into multiple small peptides with the initial primary site of cleavage between S16 and Y17. Conclusions: Identification of the major MMP20 proteolytic products of amelogenin confirm a dynamic process, with sites towards the C-terminus more rapidly attacked than sites near the N-terminus. This observation is consistent with nanosphere models where the C-terminus is exposed and the N-terminus more protected. One previously reported end-product of the MMP20 proteolytic processing of amelogenin, TRAP, is shown to be an in vitro substrate for MMP20.

amelogenesis imperfecta, protease, amelogenin, ena↗
DOE OSTI2012

Whole-Organism Concentration Ratios for Plutonium in Wildlife from Past US Nuclear Research Data

Whole-organism concentration ratios (CR{sub wo-media}) for plutonium (Pu) in wildlife were calculated using data from the broad range of organism types and environmental settings of the US nuclear research program. Original sources included site-specific reports and scientific journal articles typically from 1960s to 80s research. Most of the calculated CR{sub wo-media} values are new to existing data sets, and, for some wildlife categories, serve to fill gaps or add to sparse data including those for terrestrial reptile; freshwater bird, crustacean and zooplankton; and marine crustacean and zooplankton. Ratios of Pu concentration in the whole-organism to that in specific tissues and organs are provided here for a range of freshwater and marine fish. The CR{sub wo-media} values in fish living in liquid discharge ponds were two orders of magnitude higher than those for similar species living in lakes receiving Pu from atmospheric fallout, suggesting the physico-chemical form of the source Pu can dominate over other factors related to transfer, such as organism size and feeding behavior. Small rodent data indicated one to two order of magnitude increases when carcass, pelt, and gastrointestinal tract were included together in the whole-organism calculation compared to that for carcass alone. Only 4% of Pu resided in the carcass of small rodents compared to 75% in the gastrointestinal tract and 21% in the pelt.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2019

Migration of noble gas tracers at the site of an underground nuclear explosion at the Nevada National Security Site

As part of an underground gas migration study, two radioactive noble gases and two stable tracer gases were injected into a nuclear explosion test chimney and allowed to migrate naturally. Soil gas samples were collected from a series of boreholes and a range of depths from the shallow subsurface (3 meters) to deeper levels (~160 meters) over a period of eleven months. These samples have provided insights into the development and evolution of the subsurface plume and constrained the relative migration rates of the radioactive and stable gas species. Analysis of the samples concluded that the stable tracer SF6 was consistently enriched in the subsurface samples relative to the radiotracer 127Xe, but the ratios of SF6 and 37Ar remained similar throughout the samples.

Johnson, Christine M.↗
DOE OSTI2020

Cold Spray Deposition of 304L Stainless Steel to Mitigate Chloride-Induced Stress Corrosion Cracking in Canisters for Used Nuclear Fuel Storage

A feasibility study of the cold spray deposition process of 304L stainless steel on 304L stainless steel substrates as a mitigation method for chloride-induced stress corrosion cracking (CISCC) has been investigated under various substrate conditions. The study is aimed at the application of this technology to mitigate CISCC that may potentially occur in or nearthe fusion welded regions of stainless steel canisters in Dry Cask Storage System (DCSS) for used nuclear fuels. Spherical gas-atomized 304L stainless steel powder, in the size range of 25 µm to 44 µm, was used as a feedstock powder for the cold spray process. The powder was deposited on four types of 304L substrates with various surface conditions: as-polished, oxidized, cold-rolled, plates with prototypical CISCC. The effects of cold spray parameters on quality of cold spray coatings were investigated. Thickness, porosity, and phases in the as-deposited materials were evaluated using scanning electron microscopy (SEM) and X-ray diffraction (XRD), and correlated with microhardness and adhesion strength measured via micro-indentation and ASTM C633 pulling test, respectively. XRD analysis of the coatings was also conducted to examine the effects of cold spray condition on residual stress state in the coating. Detailed cross-sectional examination of coating/substrate interfaces was performed with transmission electron microscopy (TEM) equipped with energy dispersive spectroscopy (EDS). Dense and continuous coatings with good adhesion strength and hardness were produced for the various substrate conditions by adjusting cold spray parameters. The results demonstrate that cold spray stainless steel coating is a viable option to provide a physical barrier against CISCC in fusion weld regions of stainless steel in corrosive chloride salt-bearing environments.

Dry Cask Storage Systems, cold spray, 304L stainle↗
DOE OSTI2021

Micrometer-sized Magnetite Synthesis using Fe(OH)2(s) as a Precursor for Technetium Sequestration from Liquid Nuclear Waste Streams

Systematic batch experiments under variable adjusted physicochemical conditions were conducted to explore optimization of micrometer-sized magnetite synthesis for Tc sequestration from radionuclide waste streams using Fe(OH)2(s) as the precursor. Extensive solid characterization using x-ray diffraction and spectroscopic methods was performed to assess changes in particle morphology and size distribution, as well as Tc speciation and incorporation, in the produced mineral phases. The results show that the solution pH, temperature, and oxidation kinetics play key roles in the final mineral products. Micrometer-sized magnetite crystals (0.62-0.96 µm on average) with well-defined dodecahedral or octahedral structures were synthesized under near neutral (~pH 8) or alkaline (~pH13) conditions at 75 °C, respectively; whereas goethite dominated the end products at room temperature. An increase in pH at 75 °C improved Tc removal from 27% (near neutral pH) to 42% (alkaline pH), but the removal process remained inhibited by redox competitive Cr(VI) present in the waste streams. By adding additional Fe(II) to the system, Tc sequestration was dramatically improved to up to 87% without observable changes in the solid product. The sequestrated Tc existed as TcO2·2H2O and/or Tc(IV) incorporated into magnetite, where extended X-ray absorption fine structure (EXAFS) spectroscopy showed that more Tc was incorporated into magnetite at elevated temperatures and pH conditions, with complete Tc(IV) incorporation into magnetite occurring under 75 °C-pH 13 conditions. Our results indicate that optimal micrometer-sized magnetite can be produced for Tc sequestration by reacting Fe(OH)2(s) with a waste stream simulant under elevated pH (~13) and temperature (75 °C) conditions. The incorporation of reduced Tc(IV) into stable micrometer-sized magnetite provides a viable supplemental immobilizing technology that may be used to improve nuclear waste treatment and disposal needs.

Wang, Guohui↗
DOE OSTI2016

29 Si nuclear magnetic resonance study of URu 2 Si 2 under pressure

Wereport 29Si nuclearmagneticresonancemeasurementsofsinglecrystalsandalignedpowdersof URu2Si2 under pressureinthehiddenorderandparamagneticphases.We find thattheKnightshift decreases withappliedpressure,consistentwithpreviousmeasurementsofthestaticmagneticsus- ceptibility.Previousmeasurementsofthespinlatticerelaxationtimerevealedapartialsuppressionof the densityofstatesbelow30K.Thissuppressionpersistsunderpressure,andtheonsettemperatureis mildly enhanced.

Hidden order↗