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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Theoretical study of the electronic, thermodynamic, and thermo-conductive properties of y-LiAlO2 with 6Li isotope substitutions for tritium production

Lithium aluminate has attracted researchers’ interests due to its wide applications. The structural, electronic, optical, lattice phonon thermodynamic, and thermo-conductive properties of ?-LiAlO2 with 6Li-isotope substitution are investigated by density functional theory and lattice phonon dynamics. The calculated results show that ?-LiAlO2 possesses a wide band-gap of 4.63 eV. The valence band is mainly formed by p orbitals of Li, O, and Al. The calculated lattice thermal conductivity of ?-LiAlO2 is found to be in good agreement over a wide range of temperatures with the available experimental data. The calculated dielectric matrix shows anisotropic behavior along z and x (or y) axes. Due to the wide band-gap, the optical conductivity of ?-LiAlO2 is mainly contributed from the electron hopping between valence-conduction bands. Substitution of 7Li with 6Li isotope in ?-LiAlO2 leads to observable differences in the lattice phonon frequencies at higher frequencies (>8THz) and to slight changes in corresponding thermal conductivity and the infrared and Raman spectra which are in good agreement with the measured data. The relevance of these properties for tritium production through 6Li absorbing neutron in nuclear reactors is discussed.

ab initio thermodynamics, ?-LiAlO2 and 6Li-isotope↗
DOE OSTI2021

As-Built Simulation of the High Flux Isotope Reactor

The Oak Ridge National Laboratory High Flux Isotope Reactor (HFIR) is an 85 MWt flux trap-type research reactor that supports key research missions, including isotope production, materials irradiation, and neutron scattering. The core consists of an inner and an outer fuel element containing 171 and 369 involute-shaped plates, respectively. The thin fuel plates consist of a U 3 O 8 -Al dispersion fuel (highly enriched), an aluminum-based filler, and aluminum cladding. The fuel meat thickness is varied across the width of the involute plate to reduce thermal flux peaks at the radial edges of the fuel elements. Some deviation from the designed fuel meat shaping is allowed during manufacturing. A homogeneity scan of each fuel plate checks for potential anomalies in the fuel distribution by scanning the surface of the plate and comparing the attenuation of the beam to calibration standards. While typical HFIR simulations use homogenized fuel regions, explicit models of the plates were developed under the Low-Enriched Uranium Conversion Program. These explicit models typically include one inner and one outer fuel plate with nominal fuel distributions, and then the plates are duplicated to fill the space of the corresponding fuel element. Therefore, data extracted from these simulations are limited to azimuthally averaged quantities. To determine the reactivity and physics impacts of an as-built outer fuel element and generate azimuthally dependent data in the element, 369 unique fuel plate models were generated and positioned. This model generates the three-dimensional (i.e., radial–axial–azimuthal) plate power profile, where the azimuthal profile is impacted by features within the adjacent control element region and beryllium reflector. For an as-built model of the outer fuel element, plate-specific homogeneity data, 235 U loading, enrichment, and channel thickness measurements were translated into the model, yielding a much more varied azimuthal power profile encompassed by uncertainty factors in analyses. These models were run with the ORNL-TN and Shift Monte Carlo tools, and they contained upwards of 500,000 cells and 100,000 unique tallies.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

13 C-Isotope-Assisted Assessment of Metabolic Quenching During Sample Collection from Suspension Cell Cultures

Metabolomics and fluxomics are core approaches to directly profile and interrogate cellular metabolism in response to various genetic or environmental perturbations. In order to accurately measure the abundance and isotope enrichment of intracellular metabolites, cell culture samples must be rapidly harvested and cold-quenched to preserve the in vivo metabolic state of the cells at the time of sample collection. When dealing with suspension cultures, this process is complicated by the need to separate the liquid culture media from cellular biomass prior to metabolite extraction. Here, we examine the efficacy of several commonly used metabolic quenching methods, using the model cyanobacterium Synechocystis sp. PCC 6803 as an example. Multiple 13 C-labeled compounds, including 13 C-bicarbonate, 13 C-glucose and 13 C-glutamine, were used as tracers during the sample collection and cold-quenching process to assess the extent of metabolic turnover after cells were harvested from culture flasks. We show that the combination of rapid filtration followed by 100% cold (–80°C) methanol quenching exhibits the highest quenching efficiency, while mixing cell samples with a partially frozen 30% methanol slurry (–24°C) followed by centrifugation is slightly less effective at quenching metabolism but enables less laborious sample processing. By contrast, rapidly mixing the cells with a saline ice slurry (~0°C) is less effective as indicated by high isotope-labeling rates after sample harvest, while mixing the cells with 60% cold methanol (–65°C) prior to centrifugation causes significant metabolite loss. Furthermore, this study demonstrates a rigorous, quantitative, and broadly applicable method for assessing the metabolic quenching efficacy of protocols used for sample collection in metabolomics and fluxomics studies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Design and construction of a new detector to measure ultra-low radioactive-isotope contamination of argon

Large liquid argon detectors offer one of the best avenues for the detection of galactic weakly interacting massive particles (WIMPs) via their scattering on atomic nuclei. The liquid argon target allows exquisite discrimination between nuclear and electron recoil signals via pulse-shape discrimination of the scintillation signals. Atmospheric argon (AAr), however, has a naturally occurring radioactive isotope, 39Ar, a ß emitter of cosmogenic origin. For large detectors, the atmospheric 39Ar activity poses pile-up concerns. The use of argon extracted from underground wells, deprived of 39Ar, is key to the physics potential of these experiments. The DarkSide-20k dark matter search experiment will operate a dual-phase time projection chamber with 50 tonnes of radio-pure underground argon (UAr), that was shown to be depleted of 39Ar with respect to AAr by a factor larger than 1400. Assessing the 39Ar content of the UAr during extraction is crucial for the success of DarkSide-20k, as well as for future experiments of the Global Argon Dark Matter Collaboration (GADMC). This will be carried out by the DArT in ArDM experiment, a small chamber made with extremely radio-pure materials that will be placed at the centre of the ArDM detector, in the Canfranc Underground Laboratory (LSC) in Spain. The ArDM LAr volume acts as an active veto for background radioactivity, mostly ?-rays from the ArDM detector materials and the surrounding rock. This article describes the DArT in ArDM project, including the chamber design and construction, and reviews the background required to achieve the expected performance of the detector.

Noble liquid detectors, Dark Matter detectors, Cry↗
DOE OSTI2021

Isotope analysis reveals dietary overlap among sympatric canids

Abstract When colonizing new regions, invading species might compete strongly with phylogenetically related species native to the regions they are colonizing, eventually leading to coexistence or displacement. In the southeast of the United States, recently established coyotes (Canis latrans) compete with red fox (Vulpes vulpes) and gray fox (Urocyon cinereoargenteus), although it remains unclear if competition is leading to resource partitioning or displacement by species. Using nitrogen and carbon stable isotopes, we tested the hypothesis that coyotes compete with foxes for food resources, with canids partitioning those resources to mitigate competition. We compared diets of canids in the southeast to those in the Plains region of the United States, a region where all three species historically have coexisted. We analyzed 217 hair samples from both regions pre-1960, prior to coyote colonization of the southeast, and post-2000, after coyotes were ubiquitous there, to assess differences in diet among species for both regions (southeast versus Plains and time periods, pre- versus postcolonization by coyotes). Modeling revealed significant dietary overlap among historical and contemporary populations in the southeast. Historically, all species partitioned resources in the Plains. Contemporarily, red fox and coyotes co-occurring in the Plains overlapped in diet; however, gray fox diet did not overlap with those of red fox and coyotes. Absence of partitioning in diet among co-occurring canids in the southeast indicates that interspecific competition could be strong in the region. Competition among canid populations in the southeast could lead to further resource partitioning among species that promotes coexistence or competitive exclusion of smaller fox species where coyote populations are abundant.

Zoology↗
DOE OSTI2020

Isotope-Specific Analysis of Neutron-Irradiated Lithium Aluminate Ceramics by Nuclear Magnetic Resonance Spectroscopy

The effects of neutron irradiation on lithium aluminate targets and the permeation of tritium into surrounding components are primary concerns in the development of materials for use in tritium production. The high specific activity and volatility of the tritium in activated samples greatly increase the challenges of experimental analysis. This paper reports the determination of the chemical forms and quantities of H-3 and Li-6 in irradiated and non-irradiated LiAlO2 by nuclear magnetic resonance (NMR) spectroscopy, and demonstrates that measurements can be performed in a non-destructive, safe manner to obtain isotope-selective, quantitative information on highly hazardous materials.

Tritium, solid state nuclear magnetic resonance sp↗
DOE OSTI2022

Accelerator commissioning and rare isotope identification at the Facility for Rare Isotope Beams

In 2008, Michigan State University was selected to establish the Facility for Rare Isotope Beams (FRIB). Construction of the FRIB accelerator was completed in January 2022. Phased accelerator commissioning with heavy ion beams started in 2017 with the normal-conducting ion source and radio-frequency quadrupole. In April 2021, the full FRIB driver linear accelerator (linac) was commissioned, with heavy ion beams accelerated to energies above 200 MeV/nucleon by 324 superconducting radiofrequency (SRF) resonators operating at 2 K and 4 K with liquid-helium cooling. Further, in preparation for high-power operation, a liquid lithium charge stripper was commissioned with heavy ion beams up to uranium-238, followed by the simultaneous acceleration of multiple-charge-state heavy ion beams to energies above 200 MeV/nucleon. In December 2021, selenium-84 was produced with the FRIB target using a krypton-86 primary beam, demonstrating FRIB’s capability for scientific discovery.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Influence of Hydrogen Isotopes on Vacancy Formation and Antisite Defect Diffusion in Palladium and Vanadium Metals

Density functional theory calculations are performed to study the interaction between hydrogen isotopes, vacancy, and antisite defects in Pd and V. Various defect configurations and defect-defect distances are systematically explored. Binding energies and migration energy barriers are calculated and tabulated. The study provides atomistic data for subsequent mesoscale simulations of tritium, vacancy, and antisite diffusion. In Pd, a strong binding is found between a vacancy and tritium (0.16 eV). This tritium binding increases the thermal concentration of vacancies by a factor of ~10 at 500 ?C. The increase in vacancy concentration enhances V antisite diffusion in Pd by a factor of ~6 at 500 ?C. The influence of tritium is even stronger in V, with a tritium and vacancy binding energy of 0.38 eV. Such a strong binding increases the thermal concentration of vacancies by a factor of ~300 at 500 ?C. The increase in vacancy concentration enhances Pd antisite diffusion in V by a factor of ~640 at 500 ?C. Vanadium and Pd exhibit a strong driving force to intermix with a formation energy of -1.57 eV for V antisite in Pd and -1.05 eV for Pd antisite in V. The results suggest vanadium diffusion into Pd is energetically stronger than the reverse. Zero-point-energy corrections are taken into account and calculations for hydrogen and tritium are presented.

Setyawan, Wahyu↗
DOE OSTI2021

Surface Functionalization of Black Phosphorus with Nitrenes: Identification of P=N Bonds Using Isotopic Labeling

Abstract: Surface functionalization of two-dimensional crystals is a key path to tuning their intrinsic physical and chemical properties. However, synthetic protocols and experimental strategies to directly probe chemical bonding in modified surfaces are scarce. Introduced here is a mild, surface-specific protocol for the surface functionalization of few-layer black phosphorus nanosheets using a family of photolytically generated nitrenes (RN) from the corresponding azides. By embedding spectroscopic tags in the organic backbone, a multitude of characterization techniques are employed to investigate in detail the chemical structure of the modified nanosheets, including vibrational (infrared, Raman), Xray (emission, photoelectron), CPMAS NMR, and UV-vis spectroscopy. To directly probe the functional groups introduced on the surface, R fragments were selected such that in conjunction with vibrational spectroscopy, 15N-labeling experiments, and DFT methods, diagnostic P=N vibrational modes indicative of iminophosphorane units on the nanosheet surface could be conclusively identified.

Walz, Kendall↗