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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Low background screening capability in the UK

Low background rare event searches in underground laboratories seeking observation of direct dark matter interactions or neutrino-less double beta decay have the potential to profoundly advance our understanding of the physical universe. Successful results from these experiments depend critically on construction from extremely radiologically clean materials and accurate knowledge of subsequent low levels of expected background. The experiments must conduct comprehensive screening campaigns to reduce radioactivity from detector components, and these measurements also inform detailed characterisation and quantification of background sources and their impact, necessary to assign statistical significance to any potential discovery. To provide requisite sensitivity for material screening and characterisation in the UK to support our rare event search activities, we have re-developed our infrastructure to add ultra-low background capability across a range of complementary techniques that collectively allow complete radioactivity measurements. Ultra-low background HPGe and BEGe detectors have been installed at the Boulby Underground Laboratory, itself undergoing substantial facility re-furbishment, to provide high sensitivity gamma spectroscopy in particular for measuring the uranium and thorium decay series products. Dedicated low-activity mass spectrometry instrumentation has been developed at UCL for part per trillion level contaminant identification to complement underground screening with direct U and Th measurements, and meet throughput demands. Finally, radon emanation screening at UCL measures radon background inaccessible to gamma or mass spectrometry techniques. With this new capability the UK is delivering half of the radioactivity screening for the LZ dark matter search experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

ICP MS selection of radiopure materials for the GERDA experiment

The GERDA (GERmanium Detector Array) experiment, located in the Gran Sasso Underground Laboratory (LNGS, Italy) aims to search for neutrinoless double beta (0νββ) decay of the {sup 76}Ge isotope. Both an ultra-low radioactivity background environment and active techniques to abate the residual background are required to reach the background index (of 10{sup −3} counts/keV kg y) at the Q{sub ββ}. In order to veto and suppress those events that partially deposit energy in Ge detectors, the readout of liquid argon (LAr) scintillation light (SL) has been implemented for the second GERDA experimental Phase. A double veto system has been designed and constructed using highly radiopure materials (scintillating fibers, wavelength shifters, polymeric foils, reflective foils). This work describes the study of lead, thorium and uranium ultra-trace content, performed at the LNGS Chemistry Laboratory by High Resolution Mass Spectrometry (HR ICP MS), for the selection of all materials involved in the construction of the veto system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals

Singlet-paired coupled cluster doubles (CCD0) is a simplification of CCD that relinquishes a fraction of dynamic correlation in order to be able to describe static correlation. Combinations of CCD0 with density functionals that recover specifically the dynamic correlation missing in the former have also been developed recently. Here, we assess the accuracy of CCD0 and CCD0+DFT (and variants of these using Brueckner orbitals) as compared to well-established quantum chemical methods for describing ground-state properties of singlet actinide molecules. Finally, the f 0 actinyl series (UO$2+\atop{2}$, NpO$3+\atop{2}$, PuO$4+\atop{2}$), the isoelectronic NUN, and thorium (ThO, ThO 2+ ) and nobelium (NoO, NoO 2 ) oxides are studied.

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

The electron affinity of the uranium atom

The results of a combined experimental and computational study of the uranium atom are presented with the aim of determining its electron affinity. Experimentally, the electron affinity of uranium was measured via negative ion photoelectron spectroscopy of the uranium atomic anion, U – . Computationally, the electron affinities of both thorium and uranium were calculated by conducting relativistic coupled-cluster and multi-reference configuration interaction calculations. The experimentally determined value of the electron affinity of the uranium atom was determined to be 0.309 ± 0.025 eV. The computationally predicted electron affinity of uranium based on composite coupled cluster calculations and full four-component spin–orbit coupling was found to be 0.232 eV. Predominately due to a better convergence of the coupled cluster sequence for Th and Th – , the final calculated electron affinity of Th, 0.565 eV, was in much better agreement with the accurate experimental value of 0.608 eV. In both scenarios, the ground state of the anion corresponds to electron attachment to the 6d orbital.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

ThAu 2 – , ThAu 2 O – , and ThAuOH – anions: Photoelectron spectroscopic and theoretical characterization

The thorium–gold negative ions ThAu 2 – , ThAu 2 O – , and ThAuOH – have been observed and experimentally characterized by anion photoelectron spectroscopy. These experiments are accompanied by extensive ab initio electronic structure calculations using a relativistic composite methodology based primarily on coupled cluster singles and doubles with perturbative triples calculations. The theoretical electron affinities (EAs) at 0 K agree with the experimental adiabatic EAs to within 0.02 eV for all species. Two separate isomers were located in the calculations for ThAuOH – , and detachment from both of these appears to be present in the photoelectron spectrum. Excited electronic states of the neutral molecules are reported at the equation of motion-coupled cluster singles and doubles level of theory. Atomization energies and heats of formation are also calculated for each neutral species and have expected uncertainties of 3 and 4 kcal/mol, respectively. The σ bonds between Th and Au are determined by natural bond orbital analysis to consist of predominately sd hybrids on Th bonding with the Au 6s orbital. In order to investigate the correspondence between the bonding in Th–Au and Th–F molecules, a limited number of calculations were also carried out on most of the F-analogs of this study. These results demonstrate that Au does behave like F in these cases, although the Th–F σ bonds are much more ionic compared to Th–Au. This results in an EA for ThF 2 that is 10 kcal/mol smaller than that of ThAu 2 . The EA values for the Th(IV) species, i.e., ThX 2 O and ThXOH, only differed, however, by 3–4 kcal/mol.

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

A first-principles investigation of point defect structure and energetics in ThO 2

The structure and energetics of charged point defects in thorium dioxide (ThO 2 ) have been investigated using the density functional theory (DFT) and phonon simulations. DFT simulations were performed under both zero-pressure and constant volume conditions. Termed as the free volume change of the point defects, the change in volume of the supercell has been computed in the zero-pressure case. Supercell expansion was observed with the increase of the (nominal) charge state of anion (O) interstitials and cation (Th) vacancies from neutral to its maximum. On the contrary, contraction of the supercell has been observed with anion vacancies and cation interstitials as the defect charge increases. The supercell volume change with respect to the charge state has been correlated with the resulting defect energetics. It has been observed that, as the defect charge increased, the internal energy and entropy of defect formation of the cation vacancies and anion interstitials were found to increase, while that of the cation interstitials and anion vacancies decreased. Here, the temperature dependence of internal energy and entropy has also been examined. It was found that, as the temperature increases, the internal energies of the formation of cation vacancies and anion interstitials decrease, while those of the cation interstitials and anion vacancies increase. An opposite observation is seen for the entropies of formation defects when above room temperatures.

42 ENGINEERING↗
DOE OSTI2026

Adapting Nuclear Forensics from Light Water to Molten Salt Reactors: A Survey of Emerging Needs

Rising interest in molten salt reactors for commercial power production presents an opportunity to evaluate the techniques used to characterize materials of nuclear forensic interest. Since extensive research has been performed to identify and develop signatures of light water reactor (LWR) materials (e.g. uranium ore concentrates and uranium dioxide fuel pellets), we use this as a basis to explore possibilities for molten salt signature development. Through this comparative method, nuclear forensic signatures used today to identify the provenance of nuclear materials found out of regulatory control are adapted to molten salt reactor (MSR) fuel cycle materials. Radiological, elemental composition, isotopic composition, and model age signatures will likely not need large adaptations before being applied to MSR materials but may need to expand to be applicable to both thorium- and uranium-fueled systems. The liquid nature of molten salt fuel may erase signatures related to production and irradiation history that are informative for typical LWR materials. However, it may also lead to opportunities for new signatures, such as cooling rate–controlled morphology. Targets identified for further research include radiological attributes of fuel salts; elemental, chemical, and isotopic analysis of salts with differing production routes; morphological effects of various thermodynamic environments; and relevant fuel cycle radiochronometers. Additionally, the comparative nature of the proposed signatures implies a need for MSR-relevant databases and the production of salt standard reference materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Theoretical studies of Ir5Th and Ir5Ce nanoscale precipitates in Ir

Experimentally, it is known that very small amounts of thorium and/or cerium added to iridium metal form a precipitate, Ir5Th / Ir5Ce, which improves the high temperature mechanical properties of the resulting alloys. We demonstrate that there are low-energy configurations for nano-scale precipitates of these phases in Ir, and that these coherent arrangements may assist in producing improved mechanical properties. One precipitate/matrix orientation gives a particularly low interfacial energy, and a low lattice misfit. Nanolayer precipitates with this orientation are found to be likely to form, with little driving force to coarsen. The predicted morphology of the precipitates and their orientation with the matrix phase provide a potential experiment that could be used to test these predictions.

Morris, James R↗
DOE OSTI2011

THE INFRARED SPECTRUM OF URANIUM HOLLOW CATHODE LAMPS FROM 850 nm to 4000 nm: WAVENUMBERS AND LINE IDENTIFICATIONS FROM FOURIER TRANSFORM SPECTRA

We provide new measurements of wavenumbers and line identifications of 10, 100 U I and U II near-infrared (NIR) emission lines between 2500 cm{sup -1} and 12, 000 cm{sup -1} (4000-850 nm) using archival Fourier transform spectrometer spectra from the National Solar Observatory. This line list includes isolated uranium lines in the Y, J, H, K, and L bands (0.9-1.1 {mu}m, 1.2-1.35 {mu}m, 1.5-1.65 {mu}m, 2.0-2.4 {mu}m, and 3.0-4.0 {mu}m, respectively), and provides six times as many calibration lines as thorium in the NIR spectral range. The line lists we provide enable inexpensive, commercially available uranium hollow cathode lamps to be used for high-precision wavelength calibration of existing and future high-resolution NIR spectrographs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Neutrino physics with JUNO

The Jiangmen Underground Neutrino Observatory (JUNO), a 20 kton multi-purpose underground liquid scintillator detector, was proposed with the determination of the neutrino mass hierarchy (MH) as a primary physics goal. The excellent energy resolution and the large fiducial volume anticipated for the JUNO detector offer exciting opportunities for addressing many important topics in neutrino and astro-particle physics. In this document, we present the physics motivations and the anticipated performance of the JUNO detector for various proposed measurements. Following an introduction summarizing the current status and open issues in neutrino physics, we discuss how the detection of antineutrinos generated by a cluster of nuclear power plants allows the determination of the neutrino MH at a 3–4σ significance with six years of running of JUNO. The measurement of antineutrino spectrum with excellent energy resolution will also lead to the precise determination of the neutrino oscillation parameters ${\mathrm{sin}}^{2}{\theta }_{12}$, ${\rm{\Delta }}{m}_{21}^{2}$, and $| {\rm{\Delta }}{m}_{{ee}}^{2}| $ to an accuracy of better than 1%, which will play a crucial role in the future unitarity test of the MNSP matrix. The JUNO detector is capable of observing not only antineutrinos from the power plants, but also neutrinos/antineutrinos from terrestrial and extra-terrestrial sources, including supernova burst neutrinos, diffuse supernova neutrino background, geoneutrinos, atmospheric neutrinos, and solar neutrinos. As a result of JUNO's large size, excellent energy resolution, and vertex reconstruction capability, interesting new data on these topics can be collected. For example, a neutrino burst from a typical core-collapse supernova at a distance of 10 kpc would lead to ~5000 inverse-beta-decay events and ~2000 all-flavor neutrino–proton ES events in JUNO, which are of crucial importance for understanding the mechanism of supernova explosion and for exploring novel phenomena such as collective neutrino oscillations. Detection of neutrinos from all past core-collapse supernova explosions in the visible universe with JUNO would further provide valuable information on the cosmic star-formation rate and the average core-collapse neutrino energy spectrum. Antineutrinos originating from the radioactive decay of uranium and thorium in the Earth can be detected in JUNO with a rate of ~400 events per year, significantly improving the statistics of existing geoneutrino event samples. Atmospheric neutrino events collected in JUNO can provide independent inputs for determining the MH and the octant of the ${\theta }_{23}$ mixing angle. Detection of the 7Be and 8B solar neutrino events at JUNO would shed new light on the solar metallicity problem and examine the transition region between the vacuum and matter dominated neutrino oscillations. Regarding light sterile neutrino topics, sterile neutrinos with ${10}^{-5}\;{{\rm{eV}}}^{2}\lt {\rm{\Delta }}{m}_{41}^{2}\lt {10}^{-2}\;{{\rm{eV}}}^{2}$ and a sufficiently large mixing angle ${\theta }_{14}$ could be identified through a precise measurement of the reactor antineutrino energy spectrum. Meanwhile, JUNO can also provide us excellent opportunities to test the eV-scale sterile neutrino hypothesis, using either the radioactive neutrino sources or a cyclotron-produced neutrino beam. The JUNO detector is also sensitive to several other beyondthe-standard-model physics. Examples include the search for proton decay via the $p\to {K}^{+}+\bar{\nu }$ decay channel, search for neutrinos resulting from dark-matter annihilation in the Sun, search for violation of Lorentz invariance via the sidereal modulation of the reactor neutrino event rate, and search for the effects of non-standard interactions. The proposed construction of the JUNO detector will provide a unique facility to address many outstanding crucial questions in particle and astrophysics in a timely and cost-effective fashion. Furthermore, it holds the great potential for further advancing our quest to understanding the fundamental properties of neutrinos, one of the building blocks of our Universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Measurement of Radioactive Contamination in the High-Resistivity Silicon CCDs of the DAMIC Experiment

We present measurements of radioactive contamination in the high-resistivity silicon charge-coupled devices (CCDs) used by the DAMIC experiment to search for dark matter particles. Novel analysis methods, which exploit the unique spatial resolution of CCDs, were developed to identify α and β particles. Uranium and thorium contamination in the CCD bulk was measured through α spectroscopy, with an upper limit on the 238 U ( 232 Th) decay rate of 5 (15) kg -1 d -1 at 95% CL. We also searched for pairs of spatially correlated electron tracks separated in time by up to tens of days, as expected from 32 Si – 32 P or 210 Pb – 210 Bi sequences of b decays. The decay rate of 32Si was found to be 80 +110 -65 (95% CI). An upper limit of ~35 kg -1 d -1 (95% CL) on the 210 Pb decay rate was obtained independently by α spectroscopy and the β decay sequence search. Furthermore, these levels of radioactive contamination are sufficiently low for the successful operation of CCDs in the forthcoming 100 g DAMIC detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Performance study of charcoal-based radon reduction systems for ultraclean rare event detectors

The continuous emanation of radon due to trace amounts of uranium and thorium in detector materials introduces radon to the active detection volume of low-background rare event search detectors. 222 Rn produces a particularly problematic background in the physics region of interest by the "naked" beta decay of its 214 Pb daughter nucleus. While charcoal-based adsorption traps are expected to be effective for radon reduction in auxiliary circulation loops that service the warm components of current ton-scale detectors at slow flow rates (0.5-2 SLPM), radon reduction in the entire circulation loop at high flow rates $\mathcal{O}$(100s SLPM) is necessary to reach high sensitivity in future generation experiments. In this article we explore radon dynamics with a charcoal-based radon reduction system in the main circulation loop of time projection chamber detectors. Here, we find that even for perfect radon traps, circulation speeds of 2,000 SLPM are needed to reduce radon concentration in a 10 ton detector by 90%. This is faster by a factor of four than the highest circulation speeds currently achieved in dark matter detectors. We further find that the effectiveness of vacuum swing adsorption systems, which have been employed very successfully at reducing atmospheric radon levels in clean-rooms, is limited by the intrinsic radon activity of the charcoal adsorbent in ultra-low radon environments. Adsorbents with significantly lower intrinsic radon activity than in currently available activated charcoals would be necessary to build effective vacuum swing adsorption systems operated at room temperature for rare event search experiments. If such VSA systems are cooled to about 190 K, this requirement relaxes drastically.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Enrichment of the Galactic disc with neutron-capture elements: Gd, Dy, and Th

The study of the origin of heavy elements is one of the main goals of nuclear astrophysics. In this paper, we present new observational data for the heavy r-process elements gadolinium (Gd, Z= 64), dysprosium (Dy, Z= 66), and thorium (Th, Z= 90) in a sample of 276 Galactic disc stars (–1.0 < [Fe/H] < + 0.3). The stellar spectra have a high resolution of 42 000 and 75 000, and the signal-to-noise ratio higher than 100. The LTE abundances of Gd, Dy, and Th have been determined by comparing the observed and synthetic spectra for three Gd lines (149 stars), four Dy lines (152 stars), and the Th line at 4019.13 Å (170 stars). For about 70 percent of the stars in our sample, Gd and Dy are measured for the first time, and Th for 95 percent of the stars. Typical errors vary from 0.07 to 0.16 dex. This paper provides the first extended set of Th observations in the Milky Way disc. Here together with europium (Eu, Z= 63) data from our previous studies, we have compared these new observations with nucleosynthesis predictions and Galactic Chemical Evolution simulations. We confirm that [Gd/Fe] and [Dy/Fe] show the same behaviour of Eu. We study with GCE simulations the evolution of [Th/Fe] in comparison with [Eu/Fe], showing that unlike Eu, either the Th production is metallicity dependent in case of a unique source of the r-process in the Galaxy, or the frequency of the Th-rich r-process source is decreasing with the increase in [Fe/H].

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Dirac's equation and its implications for density functional theory based calculations of materials containing heavy elements

Electronic structure calculations based on density functional theory (DFT) give quantitatively accurate predictions of properties of most materials containing light elements. For heavy materials, and in particular for f -electron systems, DFT based methods can fail both qualitatively and quantitatively for two distinct reasons: their failure to describe confinement effects arising from localized f -electron behavior and their incomplete or approximate treatment of relativity. In addition, different methods for incorporating relativistic effects, which give identical results in most light materials, can give different predictions in heavy elements. In order to develop a quantitative capability for calculating the properties of these materials, it is essential to separate the predictions of the underlying equations from the uncertainty introduced in approximations used in computation. Working toward that goal, here we have developed a code, called dirac-fp , which is based directly on solving the Dirac-Kohn-Sham equations and uses the full-potential linear muffin-tin orbital (FP-LMTO) approach to electronic structure. In order to assess the performance of dirac-fp , we perform calculations on three different face-centered cubic materials using different approximate treatments of relativity: the scalar relativistic (SR) approach commonly used in most solid-state DFT codes, the scalar relativistic plus spin-orbit coupling corrections (SR+SO) approach which includes spin-orbit coupling self-consistently using the SR states inside the muffin tins, and the Dirac-Kohn-Sham (Dirac) approach implemented in dirac-fp . Performing calculations on thorium, in which relativistic effects should be strong, aluminum, in which relativistic effects should be negligible, and gold, in which relativistic effects play an intermediate role, we find that the Dirac approach is able to provide theoretically consistent results in the electronic structure and ground-state properties across all three materials.

3-dimensional systems↗
DOE OSTI2022

Unoccupied electronic structure of actinide dioxides

Ligand field density functional theory calculations of the dioxides of thorium, uranium, and plutonium have been combined with high-energy-resolution fluorescence detection (HERFD) in x-ray absorption spectroscopy and inverse photoelectron spectroscopy (IPES) measurements to provide powerful insight into the underlying composition of the unoccupied 5f electronic structure in these 5f localized systems. Fine structure in the 5f 5/2 transitions in HERFD can be directly correlated with the fine structure in the leading edge of the IPES. The shapes, intensities, and systematics in HERFD and IPES are explained in a consistent and rigorous fashion in terms of the j-specific 5f electronic structure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The study of C-13(a, n)O-16 reactions in the Majorana Demonstrator calibration data

Neutron captures and delayed decays of reaction products are common sources of backgrounds in ultra-rare event searches. In this work, we studied 13C(a, n)1640 O reactions induced by a-particles emitted within the calibration sources of the Majorana Demonstrator. These sources are thorium-based calibration standards enclosed in carbon-rich materials. The reaction rate was estimated by using the 6129 keV ?-rays emitted from the excited 1643 O states that are populated when the incoming a-particles have enough energy. Thanks to the excellent energy performance of the Demonstrator’s germanium detectors, these characteristic photons can be clearly observed in the calibration data. Facilitated by Geant4 simulations, a comparison between the observed 6129 keV photon rates and predictions by a TALYS-based software was performed. The measurements and predictions were found to be consistent with each other, albeit with large statistical uncertainties. This agreement provides supports for further background predictions for (a, n)-reactions in future double-beta decay search efforts.

6 ≤ A ≤ 19↗
DOE OSTI2015

Results of a Direct Search Using Synchrotron Radiation for the Low-Energy Th 229 Nuclear Isomeric Transition

We report the results of a direct search for the 229 Tn (I π = 3/2 + ← 5/2 + ) nuclear isomeric transition, performed by exposing 229 Tn-doped LiSrAlF 6 crystals to tunable vacuum-ultraviolet synchrotron radiation and observing any resulting fluorescence. We also use existing nuclear physics data to establish a range of possible transition strengths for the isomeric transition. We find no evidence for the thorium nuclear transition between 7.3 eV and 8.8 eV with transition lifetime (1–2) s≲τ≲ (2000-5600) s. Lastly, this measurement excludes roughly half of the favored transition search area and can be used to direct future searches.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Fabrication of ThN Using a Carbothermic Reduction to Nitridation Process

A carbothermic reduction to nitridation process was developed which is capable of producing high-purity thorium mononitride (ThN) in bulk quantities. This was accomplished through study of three distinct processing routes using thermogravimetric analysis. The information gathered was then used to guide development of a draft process, which was tested within a tungsten production furnace. Scaling issues were identified and corrected following the draft process. Finally, a partitioned process was developed in response to the draft process which separates the reduction from the nitridation and carbon cleanup steps. This partitioned process was demonstrated to be capable of producing phase-pure ThN, with oxygen and carbon impurities of 990 ± 130 wppm and 240 ± 30 wppm, respectively.

36 MATERIALS SCIENCE↗