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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

River thorium concentrations can record bedrock fracture processes including some triggered by distant seismic events

Fractures are integral to the hydrology and geochemistry of watersheds, but our understanding of fracture dynamics is very limited because of the challenge of monitoring the subsurface. Here we provide evidence that long-term, high-frequency measurements of the river concentration of the ultra-trace element thorium (Th) can provide a signature of bedrock fracture processes spanning neighboring watersheds in Colorado. River Th concentrations show abrupt (subdaily) excursions and biexponential decay with approximately 1-day and 1-week time constants, concentration patterns that are distinct from all other solutes except beryllium and arsenic. The patterns are uncorrelated with daily precipitation records or seasonal trends in atmospheric deposition. Groundwater Th analyses are consistent with bedrock release and dilution upon mixing with river water. Most Th excursions have no seismic signatures that are detectable 50 km from the site, suggesting the Th concentrations can reveal aseismic fracture or fault events. We find, however, a weak statistical correlation between Th and seismic motion caused by distant earthquakes, possibly the first chemical signature of dynamic earthquake triggering, a phenomenon previously identified only through geophysical methods.

58 GEOSCIENCES↗
DOE OSTI2026

Frequency reproducibility of solid-state thorium-229 nuclear clocks

Solid-state thorium-229 ( 229 Th) nuclear clocks are set to provide new opportunities for precision metrology and fundamental physics. Taking advantage of inherent low sensitivity of a nuclear transition to its environment, orders of magnitude more emitters can be hosted in a solid-state crystal compared with current optical lattice atomic clocks. Furthermore, solid-state systems needing only simple thermal control are key to the development of field-deployable compact clocks. Here we explore and characterize the frequency reproducibility of the 229 Th:CaF 2 nuclear clock transition, a key performance metric for all clocks. We measure the transition linewidth and centre frequency as a function of the doping concentration, temperature and time. We report the concentration-dependent inhomogeneous linewidth of the nuclear transition, limited by the intrinsic host crystal properties. We determine an optimal working temperature for the 229 Th:CaF 2 nuclear clock at 196(5) K, at which the first-order thermal sensitivity vanishes. This would enable in situ temperature co-sensing using different quadrupole-split lines, reducing the temperature-induced systematic shift below the 10 −18 fractional frequency uncertainty level. At 195 K, the reproducibility of the nuclear transition frequency is 220 Hz (fractionally 1.1 × 10 −13 ) for two differently doped 229 Th:CaF 2 crystals over 7 months. Furthermore, these results form the foundation for understanding, controlling and harnessing the coherent nuclear excitation of 229 Th in solid-state hosts and for their applications in constraining temporal variations of fundamental constants.

Atomic and molecular physics↗
DOE OSTI2017

Simultaneous Separation of Actinium and Radium Isotopes from a Proton Irradiated Thorium Matrix

A new method has been developed for the isolation of 223,224,225 Ra, in high yield and purity, from a proton irradiated 232 Th matrix. We report an all-aqueous process using multiple solid-supported adsorption steps including a citrate chelation method developed to remove >99.9% of the barium contaminants by activity from the final radium product. Moreover, we developed a procedure involving the use of three columns in succession, and the separation of 223,224,225 Ra from the thorium matrix was obtained with an overall recovery yield of 91 ± 3%, average radiochemical purity of 99.9%, and production yields that correspond to physical yields based on previously measured excitation functions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2015

Surprising coordination for low-valent actinides resembling uranyl( VI ) in thorium( IV ) organic hybrid layered and framework structures based on a graphene-like (6,3) sheet topology

Three thorium(IV)-based metal–organic hybrid compounds with 2D layered and 3D framework structures exhibiting graphene-like (6,3) sheet topologies were prepared with linkers with threefold symmetry. Here, these compounds contain rare and relatively anisotropic coordination environments for low-valent actinides that are similar to those often observed for high-valent actinide ions.

Li, Yuxiang↗
DOE OSTI2018

Ligand induced shape transformation of thorium dioxide nanocrystals

Nanocrystals (NCs) with size and shape dependent properties are a thriving research field. Significant progress has been made in the controlled synthesis of NCs of stable elements in the past two decades; however, the knowledge of the NCs of actinide compounds has been considerably limited due the difficulties in handling them both experimentally and theoretically. Actinide compounds, especially actinide oxides, play a critical role in many stages of the nuclear fuel cycle. Recently, a non-aqueous surfactant assisted approach has been developed for the synthesis of actinide oxide NCs with different morphologies, but an understanding of its control factors is still missing to date. Herein we present a comprehensive study on the low index surfaces of thorium dioxide (ThO 2 ) and their interactions with relevant surfactant ligands using density functional calculations. A systematic picture on the thermodynamic stability of ThO 2 NCs of different sizes and shapes is obtained employing empirical models based on the calculated surface energies. It is found that bare ThO 2 NCs prefer the octahedral shape terminated by (111) surfaces. Oleic acid displays selective adsorption on the (110) surface, leading to the shape transformation from octahedrons to nanorods. Other ligands such as acetylacetone, oleylamine, and trioctylphosphine oxide do not modify the equilibrium shape of ThO 2 NCs. This research provides atomic level insights into the anisotropic growth of ThO2 NCs that was recently observed in experiments, and thus may contribute to the controlled synthesis of actinide oxide NCs with well-defined size and shape for future applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Use of 15 N NMR spectroscopy to probe covalency in a thorium nitride

The first isolable molecular thorium nitride, [(NR 2 ) 3 Th(μ-N)Th(NR 2 ) 3 ] − , was synthesized by reaction of [Th{N(R)(SiMe 2 )CH 2 }(NR 2 ) 2 ] with NaNH 2 and characterized by X-ray crystallography, 15 N NMR spectroscopy, and DFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Cyclopentadienyl capped thorium( IV ) porphyrinoid complex

The reaction between Th( IV ) dipyriamethyrin dichloride and sodium cyclopentadienyl (Cp) results in the formation of a cyclopentadienyl capped thorium dipyriamethyrin complex, which to our knowledge represents the first expanded porphyrin f-element Cp complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Characterization of gas-phase thorium nitride

In this work, properties of gas-phase thorium nitride, ThN, have been experimentally determined from a combined optical and microwave spectroscopic study. An intense band near 555 nm has been assigned as the [18.0]1.5–X 2 Σ + (0,0) transition and recorded at high resolution in the presence of static electric and magnetic fields. The observed optical Stark shifts were analyzed to determine permanent electric dipole moments, $\vec{μ}_{el}$ for the [18.0]1.5 and X 2 Σ + states of 4.38 ± 0.02D and 5.11 ± 0.09D, respectively. Zeeman shifts were used to determine the magnetic g-factors. The pure rotational spectrum was recorded using a separated field optical pump/probe microwave repopulation scheme and analyzed to determine the bond length and 14 N magnetic hyperfine and nuclear electric quadrupole parameters. A molecular orbital correlation diagram and ligand field electronic structure models are used to provide a qualitative interpretation of the electronic state ordering, magneto- and electro-static properties, and hyperfine interactions. Electronic structure calculations for the X 2 Σ + state were performed, and results were compared with observations. Observed trends in $\vec{μ}_{el}$ for the ThX (X = N, S, O, F, and Cl) series are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Infrared-active phonon modes in single-crystal thorium dioxide and uranium dioxide

The infrared-active phonon modes, in single-crystal samples of thorium dioxide (ThO 2 ) and uranium dioxide (UO 2 ), were investigated using spectroscopic ellipsometry and compared with density functional theory. Both ThO 2 and UO 2 are found to have one infrared-active phonon mode pair [consisting of one transverse optic (TO) and one associated longitudinal optic (LO) mode], which is responsible for the dominant features in the ellipsometric data. Furthermore, at room temperature, our results for the mode pair’s resonant frequencies and broadening parameters are comparable with previous reflectance spectroscopy characterizations and density functional theory predictions. For ThO 2 , our ellipsometry and density function theory results both show that the LO mode broadening parameter is larger than the TO mode broadening. This signifies mode anharmonicity, which can be attributed to the intrinsic phonon–phonon interaction. In addition to the main mode pair, a broad low-amplitude impurity-like vibrational mode pair is detected within the reststrahlen band for both ThO 2 and UO 2 . Elevated temperature measurements were performed for ThO 2 in order to study the mechanisms by which the phonon parameters evolve with increased heat. The observed change in the TO resonant frequency is in excellent agreement with previous density functional calculations, which only consider volume expansion of the crystal lattice. This suggests that the temperature-dependent change in the TO frequency is primarily due to volume expansion. The change in the main mode pair’s broadening parameters is nearly linear within the temperature range of this study, which indicates the intrinsic anharmonic scattering (via cubic anharmonicities) as the main decay mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Confident detection of doubly ionized thorium in the extreme Ap star CPD-62° 2717

Despite the Universe containing primordial thorium (Th) of sufficient abundance to appear in stellar spectra, detection of Th has to date been tentative and based on just a few weak and blended lines. Here, we present convincing evidence not only for the first Th detection in a magnetic chemically peculiar Ap star but also for the first detection of Th iii in a stellar spectrum. CPD-62° 2717 was initially recognized as a highly magnetized Ap star due to resolved magnetically split lines captured in H-band spectra from the SDSS/APOGEE survey. The star was subsequently pinpointed as extraordinarily peculiar when careful inspection of the H-band line content revealed the presence of five lines of Th iii, none of which are detected in the other ∼1500 APOGEE-observed Ap stars. Follow-up with the VLT + UVES confirmed a similarly peculiar optical spectrum featuring dozens of Th iii lines, among other peculiarities. Unlike past claims of Th detection, and owing to high-resolution observations of the strong (∼8–12 kG) magnetic field of CPD-62° 2717, the detection of Th iii can in this case be supported by matches between the observed and theoretical magnetic splitting patterns. Comparison of CPD-62° 2717 to stars for which Th overabundances have been previously reported (e.g. Przybylski’s Star) indicates that only for CPD-62° 2717 is the Th detection certain. Along with the focus on Th iii, we use time series measurements of the magnetic field modulus to constrain the rotation period of CPD-62° 2717 to ∼4.8 yr, thus establishing it as a new example of a superslowly rotating Ap star.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Optical cycling on thorium monoxide for an improved test of fundamental symmetries

Optical cycling refers to repeated excitation and spontaneous emission on an electronic transition in an atom or molecule. Optical cycling in molecules can enable a wide range of quantum control and readout techniques, but unfortunately it has only been demonstrated on a small class of alkalilike or alkaline-earth-like molecules. Thorium monoxide (ThO), a molecule used in one of the most precise permanent electron electric dipole moment (eEDM) searches (ACME†) [Andreev et al., Nature (London) 562, 355 (2018)], does not fall into this category. In this work, we demonstrate the first optical cycling on this nonconventional class over a range of experimental parameter space, including laser intensity, polarization switching rate, and interaction time. We show that both the 𝐽 = 1 and 𝐽 = 2 rotational levels of ThO molecule are capable of cycling an average of 11(2) photons with a single laser, at scattering rates of 1.9⁢(6) × 10 6 and 2.3⁢(7) × 10 6 s −1 , respectively, before population is lost to other vibronic levels. We outline a scheme to apply this demonstrated optical cycling in an ACME-style eEDM measurement, improving the detection efficiency by over fourfold compared to noncycling fluorescence detection. This would lead to over a twofold enhancement in the statistical sensitivity of the eEDM search. This optical-cycling scheme can be further extended to scatter ∼100 photons, which would enable a wider range of quantum control and sensing using ThO molecules.

Atomic & molecular processes in external fields↗
DOE OSTI2014

Determination of Method Detection Limits for Trace 232-Thorium and 238-Uranium in Copper using Ion Exchange and ICPMS

Based on the MAJORANA DEMONSTRATOR (MJD) simulations task group calculations, the copper used in the inner shield and detector components require purity levels of <0.3 µBq 238 U/kg Cu and <0.3 µBq 232 Th/kg Cu. The MAJORANA Collaboration is endeavoring to achieve this goal by electroforming copper using ultra-clean materials in facilities at PNNL and SURF. In this document, a broadly accepted U.S. Environmental Protection Agency method is used to evaluate an ion exchange technique, developed at PNNL, for determining sensitivity in the assay of copper for trace levels of thorium and uranium. These data indicate that, in all cases, the assay sensitivity and material limits are being met.

Hoppe, Eric W.↗
DOE OSTI2019

Thorium(IV) and Uranium(IV) Phosphaazaallenes

The synthesis of tetravalent thorium and uranium complexes with the phosphaazaallene moiety, [N(tBu)C=P(C6H5)]2−, is described. The reaction of the bis(phosphido) complexes, (C5Me5)2An[P(C6H5)(SiMe3)]2, An = Th, U, with two equivalents of tBuNC produces (C5Me5)2An(CNtBu)[η2-(N,C)-N(tBu)C=P(C6H5)] with concomitant formation of P(SiMe3)2(C6H5) via silyl migration. These complexes are characterized by NMR and IR spectroscopy, as well as structurally determined using X-ray crystallography.

Rungthanaphatsophon, Pokpong↗