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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Photoelectron Spectroscopic and ab Initio Computational Studies of the Anion, HThO –

The synergetic combination of anion photoelectron spectroscopy and high-level relativistic coupled-cluster calculations was employed to study the anion, HThO-. The atomic connectivity of this anion was found to be HThO- and not ThOH-. Vibrational and electronic energy spacings in the HThO- photoelectron spectrum were measured and calculated, with good agreement between them being found. Computations yielded electronic energies and equilibrium structures as well as enabling orbital analyses. The adiabatic electron affinity of HThO was determined to be 1.297 ± 0.035 eV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Energy-Degeneracy-Driven Covalency in Actinide Bonding

Evaluating the nature of chemical bonding for actinide elements represents one of the most important and long-standing problems in actinide science. In this work, we directly address this challenge and contribute a Cl K-edge X-ray absorption spectroscopy and relativistic density functional theory study that quantitatively evaluates An–Cl covalency in AnCl 6 2– (An IV = Th, U, Np, Pu). Lastly, the results showed significant mixing between Cl 3p- and An IV 5f- and 6d-orbitals (t 1u */t 2u * and t 2g */e g *), with the 6d-orbitals showing more pronounced covalent bonding than the 5f-orbitals. Moving from Th to U, Np, and Pu markedly changed the amount of M–Cl orbital mixing, such that An IV 6d- and Cl 3p-mixing decreased and metal 5f- and Cl 3p-orbital mixing increased across this series.

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

Inferring relative dose-dependent color center populations in proton irradiated thoria single crystals using optical spectroscopy

In this work, we have utilized photoluminescence spectroscopy and optical ellipsometry to characterize the dose-dependence of the photoluminescence emission intensity and changes in optical absorption of thoria single crystals subject to irradiation with energetic protons at room- and elevated-temperatures. The photoluminescence peaks and the optical absorption bands are attributed to creation of new electronic states emerging from defects resulting from displacement damage. These bands are most likely associated with electrons trapped at the oxygen vacancy sites similar to color centers formed in other irradiated oxides and halides. Our experimental observations are supported by a standard density functional theory calculation of the electronic structure in pristine and oxygen vacancy-bearing thoria crystals. The dose-dependence of the intensity of the photoluminescence peaks is used to parameterize a rate theory model that estimates the concentration of color centers in the irradiated crystals. This parameterization provides optimized migration barrier parameters for oxygen interstitials and vacancies that simultaneously capture the optical response of the crystals irradiated at room- and elevated-temperature. These optical spectroscopy techniques offer a promising pathway to characterize the population of color centers formed at the sites of oxygen anion vacancies, particularly in irradiated nuclear fuels, where atomic-level defects cannot be readily imaged using electron microscopy. When combined with other direct and indirect characterization tools, our approach can provide new insight into defect formation and accumulation in energy materials over single atomic to extended length scales.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Th IV –Desferrioxamine: characterization of a fluorescent bacterial probe

Diversifying our ability to guard against emerging pathogenic threats is essential for keeping pace with global health challenges, including those presented by drug-resistant bacteria. Some modern diagnostic and therapeutic innovations to address this challenge focus on targeting methods that exploit bacterial nutrient sequestration pathways, such as the desferrioxamine (DFO) siderophore used by Staphylococcus aureus (S. aureus) to sequester Fe III . Building on recent studies that have shown DFO to be a versatile vehicle for chemical delivery, we show proof-of-principle that the Fe III sequestration pathway can be used to deliver a potential radiotherapeutic. Our approach replaces the FeIII nutrient sequestered by H 4 DFO + with Th IV and made use of a common fluorophore, FITC, which we covalently bonded to DFO to provide a combinatorial probe for simultaneous chelation paired with imaging and spectroscopy, H 3 DFO_FITC. Combining insight provided from FITC-based imaging with characterization by NMR spectroscopy, we demonstrated that the fluorescent DFO_FITC conjugate retained the Th IV chelation properties of native H4DFO+. Fluorescence microscopy with both [Th(DFO_FITC)] and [Fe(DFO_FITC)] complexes showed similar uptake by S. aureus and increased intercellular accumulation as compared to the FITC and unchelated H 3 DFO_FITC controls. Collectively, these results demonstrate the potential for the newly developed H 3 DFO_FITC conjugate to be used as a targeting vector and bacterial imaging probe for S. aureus. The results presented within provide a framework to expand H 4 DFO + and H 3 DFO_FITC to relevant radiotherapeutics (like 227Th).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

Structure and magnetic properties of bulk nanocrystalline Tm{sub 2}(Co{sub 1-x}Fe{sub x}){sub 17} permanent magnet

Structure and magnetic properties were studied for Tm{sub 2}(Co{sub 1-x}Fe{sub x}){sub 17} bulk nanocrystalline magnet synthesized by spark plasma sintering technique. X-ray diffraction results indicate both ingot and sintered magnet of Tm{sub 2}(Co{sub 0.7}Fe{sub 0.3}){sub 17} alloy exhibit hexagonal Th{sub 2}Ni{sub 17} type structure. The microstructure of the magnet is composed of Th{sub 2}Ni{sub 17} type nanograins with an average size of 35 nm detected by transmission electron microscopy and selected area electron diffraction patterns. Magnetic measurement shows that the remanence of the magnet is higher at 573 K than at 300 K, indicating there is a positive remanence temperature coefficient in the magnet. The anisotropy field of Tm{sub 2}(Co{sub 0.7}Fe{sub 0.3}){sub 17} alloy is 3.8 T, which is much higher than the H{sub A} of 2.3 T for the pure Tm{sub 2}Co{sub 17} alloy. The coercivity of the sintered magnet increases from 0.25 to 0.354 T after optimal annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Seasonal Variation of Indoor Radon Concentration in the Tropics: Comparative studies between Kuala Lumpur, Malaysia and Kerala, India

The radiation dose received by man from indoor radon and its progeny is the largest at more than 50% of total dose received. The seasonal variation of indoor radon concentration in Kerala, India and Kuala Lumpur, Malaysia were studied. The Southwest coast of the Kerala state in India is known to have very high levels of natural background radiation owing to the rare earths rich monazite sand available in large amount. Kuala Lumpur, Malaysia used to be a famous tin mining area where it was done using open cast system. One-year measurements of radon concentration in houses were done for these two regions. It was found that there is considerable seasonal variation in the levels of radon in Kerala but the variation in Kuala Lumpur is only less than 10%.

58 GEOSCIENCES↗
DOE OSTI2011

Proton-induced fission of actinides at energies 26.5 and 62.9 MeV--Theoretical interpretation

Fission properties of proton-induced fission on {sup 232}Th, {sup 237}Np, {sup 238}U, {sup 239}Pu and {sup 241}Am targets, measured at the Louvain-la-Neuve cyclotron facility at proton energies of 26.5 and 62.9 MeV, are compared with the predictions of the state-of-the-art nuclear reaction code TALYS. The sensitivity of the calculations to the input parameters of the code and possible improvements are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Delayed Neutron and Delayed Photon Characteristics from Photofission of Actinides

Delayed neutron (DN) and delayed photon (DP) emissions from photofission reactions play an important role for applications involving nuclear material detection and characterization. To provide new, accurate, basic nuclear data for evaluations and data libraries, an experimental programme of DN and DP measurements has been undertaken for actinides with bremsstrahlung endpoint energy in the giant resonance region ({approx}15 MeV). In this paper, the experimental setup and the data analysis method will be described. Experimental results for DN and DP characteristics will be presented for {sup 232}Th, {sup 235,238}U, {sup 237}Np, and {sup 239}Pu. Finally, an example of an application to study the contents of nuclear waste packages will be briefly discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Natural radioactivity concentration of peanuts in Osmaniye-Turkey

The peanut is grown in Osmaniye where located in southern Turkey. Due to it is grown underground, the measurements of natural radioactivity of peanuts become important. For this reason some peanut samples have been collected from different places of Osmaniye and the measurements of natural activity concentrations for {sup 40}K, {sup 226}Ra and {sup 232}Th in some peanuts samples have been carried out using a NaI(Tl) gamma-ray spectrometer. Activity of {sup 40}K was measured from its intensive line at 1460 keV, for {sup 226}Ra activity peak from {sup 214}Bi at 1760 keV and {sup 232}Th activity, peak from {sup 208}Tl at energy of 2610 keV was used.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Low-level measuring techniques for neutrons: High accuracy neutron source strength determination and fluence rate measurement at an underground laboratory

We report on measuring techniques for neutrons that have been developed at the Physikalisch-Technische Bundesanstalt (PTB), the German National Metrology Institute. PTB has characterized radioactive sources used in the BOREXINO and XENON100 experiments. For the BOREXINO experiment, a {sup 228}Th gamma radiation source was required which would not emit more than 10 neutrons per second. The determination of the neutron emission rate of this specially designed {sup 228}Th source was challenging due to the low neutron emission rate and because the ratio of neutron to gamma radiation was expected to be extremely low, of the order of 10{sup −6}. For the XENON100 detector, PTB carried out a high accuracy measurement of the neutron emission rate of an AmBe source. PTB has also done measurements in underground laboratories. A two month measurement campaign with a set of {sup 3}He-filled proportional counters was carried out in PTB's former UDO underground laboratory at the Asse salt mine. The aim of the campaign was to determine the intrinsic background of detectors, which is needed for the analysis of data taken in lowintensity neutron fields. At a later time, PTB did a preliminary measurement of the neutron fluence rate at the underground laboratory Felsenkeller operated by VKTA. By taking into account data from UDO, Felsenkeller, and detector calibrations made at the PTB facility, it was possible to estimate the neutron fluence rate at the Felsenkeller underground laboratory.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Purification of lanthanides for double beta decay experiments

There are several potentially double beta active isotopes among the lanthanide elements. However, even high purity grade lanthanide compounds contain {sup 238}U, {sup 226}Ra and {sup 232,228}Th typically on the level of ∼ (0.1 - 1) Bq/kg. The liquid-liquid extraction technique was used to remove traces of U, Ra and Th from CeO{sub 2}, Nd{sub 2}O{sub 3} and Gd{sub 2}O{sub 3}. The radioactive contamination of the samples before and after the purification was tested by using ultra-low-background HPGe γ spectrometry at the underground Gran Sasso National Laboratories of the INFN (Italy). After the purification the radioactive contamination of gadolinium oxide by Ra and Th was decreased at least one order of magnitude. The efficiency of the approach to purify cerium oxide from Ra was on same level, while the radioactive contamination of neodymium sample before and after the purification is below the sensitivity of analytical methods. The purification method is much less efficient for chemically very similar radioactive elements like lanthanum, lutetium and actinium. R and D of the methods to remove the pollutions with improved efficiency is in progress.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Background modeling for the GERDA experiment

The neutrinoless double beta (0νββ) decay experiment GERDA at the LNGS of INFN has started physics data taking in November 2011. This paper presents an analysis aimed at understanding and modeling the observed background energy spectrum, which plays an essential role in searches for a rare signal like 0νββ decay. A very promising preliminary model has been obtained, with the systematic uncertainties still under study. Important information can be deduced from the model such as the expected background and its decomposition in the signal region. According to the model the main background contributions around Q{sub ββ} come from {sup 214}Bi, {sup 228}Th, {sup 42}K, {sup 60}Co and α emitting isotopes in the {sup 226}Ra decay chain, with a fraction depending on the assumed source positions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

The ultra-pure Ti for the low background experiments

The constant increase in mass of the cryostats, containment tanks, passive shielding and other mechanical elements of the modern low background detectors put more stringent requirements on their radiopurity levels. In general they have to be ∼1 mBq/kg of {sup 238}U/{sup 232}Th or lower, which means that mass concentration should be < 0.1 ppb for {sup 238}U and < 0.25 ppb for {sup 232}Th. Traditionally, the field relies on specially selected low background stainless steel, electrochemical oxygen-free copper, or a combination of the two. However, the most promising material in terms of physical and mechanical properties is Titanium. Our study of various Ti samples show that the levels of contaminations of commercially available industrial titanium can varies from 0.2 to 100 mBq/kg for U/Th. Therefore, the only possible way to obtain the material with a low and controlled level of contamination is to develop (or improve the existing) the production technology and to build the dedicated manufactory line.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Background studies for NaI(Tl) detectors in the ANAIS dark matter project

Several large NaI(Tl) detectors, produced by different companies, have been operated in the Canfranc Underground Laboratory (LSC) in the frame of the ANAIS (Annual modulation with NaI Scintillators) project devoted to the direct detection of dark matter. A complete background model has been developed for a 9.6 kg detector (referred as ANAIS-0 prototype) after a long data taking at LSC. Activities from the natural chains of {sup 238}U and {sup 232}Th, and {sup 40}K in the NaI(Tl) crystal were evaluated applying different methods: discrimination of alpha particles vs beta/gamma background by Pulse Shape Analysis for quantifying the content of the natural chains and coincidence techniques for {sup 40}K. Radioactive contaminations in the detector and shielding components were also determined by HPGe spectrometry. Monte Carlo simulations using Geant4 package were carried out to evaluate their contribution. At high energies, most of the measured background is nicely reproduced; at low energy some non-explained components are still present, although some plausible background sources have been analyzed. The {sup 40}K content of the NaI(Tl) crystal has been confirmed to be the dominant contributor to the measured background with this detector. In addition, preliminary results of the background characterization, presently underway at the LSC, of two recently produced NaI(Tl) detectors, with 12.5 kg mass each, will be presented: cosmogenic induced activity has been clearly observed and is being quantified, and {sup 40}K activity at a level ten times lower than in ANAIS-0 has been determined.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Radiopurity measurement of acrylic for DEAP-3600

The spherical acrylic vessel that contains the liquid argon target is the most critical detector component in the DEAP-3600 dark matter experiment. Alpha decays near the inner surface of the acrylic vessel are one of the main sources of background in the detector. A fraction of the alpha energy, or the recoiling nucleus from the alpha decay, could misreconstruct in the fiducial volume and result in a false candidate dark matter event. Acrylic has low levels of inherent contamination from {sup 238}U and {sup 232}Th. Another background of particular concern is diffusion of {sup 222}Rn during manufacturing, leading to {sup 210}Pb contamination. The maximum acceptable concentrations in the DEAP-3600 acrylic vessel are ppt levels of {sup 238}U and {sup 232}Th equivalent, and 10{sup −8} ppt {sup 210}Pb. The impurities in the bulk acrylic will be measured by vaporizing a large quantity of acrylic and counting the concentrated residue with ultra-low background HPGe detectors and a low background alpha spectrometer. An overview of the acrylic assay technique is presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Development of radiopure cadmium tungstate crystal scintillators from enriched {sup 106}Cd and {sup 116}Cd to search for double beta decay

Cadmium tungstate crystal scintillators enriched in {sup 106}Cd up to 66% ({sup 106}CdWO{sub 4}) and in {sup 116}Cd up to 82% ({sup 116}CdWO{sub 4}) have been developed. The low radioactive contamination of the crystals measured on the level of ≤ 1.5 mBq/kg ({sup 40}K), ≤ 0.005 - 0.012 mBq/kg ({sup 226}Ra), 0.04 - 0.07 mBq/kg ({sup 228}Th) allows to carry out high sensitivity experiments to search for double beta processes in {sup 106}Cd and {sup 116}Cd.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Magnetic structure of the high temperature superconductor Gd{sub 1–x}Th{sub x}FeAsO

The magnetic structure of the high temperature superconductor Gd{sub 1–x}Th{sub x}FeAsO (x = 0, 0.25) has been determined by neutron powder diffraction. The Gd moments were found to order at T{sub N} ∼ 4 K and to lie in the basal plane, and form alternating ferromagnetic sheets along the c-axis. The orientation of the gadolinium moments in both the doped and undoped compounds has been confirmed using {sup 155}Gd Mössbauer spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗