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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U2Cu(SO11)2 by Materials Project

U2Cu(SO10)2O2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one U2Cu(SO10)2 framework. In the U2Cu(SO10)2 framework, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one CuO6 octahedra, corners with three equivalent SO4 tetrahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 16°. There are a spread of U–O bond distances ranging from 1.81–2.47 Å. Cu is bonded to six O atoms to form CuO6 octahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Cu–O bond distances ranging from 2.00–2.18 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.45–1.50 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a distorted linear geometry to one U and one Cu atom. In the third O site, O is bonded in a water-like geometry to two equivalent U atoms. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one S atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one S atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one S atom. In the seventh O site, O is bonded in a single-bond geometry to one S atom. In the eighth O site, O is bonded in an L-shaped geometry to one Cu and one O atom. The O–O bond length is 1.34 Å. In the ninth O site, O is bonded in an L-shaped geometry to one Cu and one O atom. The O–O bond length is 1.34 Å. In the tenth O site, O is bonded in a water-like geometry to two O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2Cu(SiO9)2 by Materials Project

U2Cu(SiO8)2O2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one U2Cu(SiO8)2 framework. In the U2Cu(SiO8)2 framework, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one CuO6 octahedra, corners with three equivalent SiO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of U–O bond distances ranging from 1.83–2.51 Å. Cu is bonded to six O atoms to form distorted CuO6 octahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.79–2.51 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one U and one Cu atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent U and one Si atom. In the fourth O site, O is bonded in a 1-coordinate geometry to two equivalent U and one Si atom. In the fifth O site, O is bonded in a single-bond geometry to one Si atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one U and one Si atom. In the seventh O site, O is bonded in a single-bond geometry to one Cu atom. In the eighth O site, O is bonded in a single-bond geometry to one Cu atom.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Branching ratios in photoelectron spectroscopy.

Discussion of the problem of measuring branching ratios or transition probabilities using the technique of photoelectron spectroscopy in terms of the angular distribution of the ejected photoelectrons. Equations are developed that can be used in conjunction with any type of electron-energy analyzer to correct for any discrimination in the analyzer caused by electrons of varying angular distribution. Results are presented for the branching ratios of the A super 2 pi sub u and B super 2 sigma sub u (+) states of CO2(+) produced by 584 A and obtained by a variety of electron-energy analyzers.

Samson, J. A. R.↗
NASA NTRS2001

D1((2)B2g) to D0((2)Au) Fluorescence from the Matrix-Isolated Perylene Cation Following Laser Excitation into the D5(2)B3g) and D2 ((2)B3g) Electronic States

Fluorescence spectra of the perylene cation, pumped by direct laser excitation via the D(sub 2)((2)B(sub 3g)) (left arrow) D(sub 0)((2)A(sub u)) and D(sub 5)(2)B(sub 3g)) (left arrow) D(sub 0)((2)A(sub u)) transitions, are presented. Direct excitation into the D5 or D2 states is followed by rapid non-radiative relaxation to D1 that, in turn,relaxes radiatively. Excitation spectroscopy across the D(sub 2)((2)B(sub 3g)) (left arrow) D(sub 0)((2)A(sub u)) transition near 730 nm shows that site splitting plays little or no role in determining the spectral substructure in the ion spectra. Tentative assignments for ground state vibrational frequencies are made by comparison of spectral intervals with calculated normal mode frequencies.

Chillier, Xavier D. F.↗
DOE OSTI2022

On ( g – 2) μ from gauged $\mathrm{U(1)_X}$

We investigate an economical explanation for the (g – 2) μ anomaly with a neutral vector boson from a spontaneously broken U(1) X gauge symmetry. The Standard Model fermion content is minimally extended by 3 right-handed neutrinos. Using a battery of complementary constraints, we perform a thorough investigation of the renormalizable, quark flavor-universal, vector-like U(1) X models, allowing for arbitrary kinetic mixing. Out of 419 models with integer charges not greater than ten, only 7 models are viable solutions, describing a narrow region in model space. These are either L μ – L τ or models with a ratio of electron to baryon number close to –2. The key complementary constraints are from the searches for nonstandard neutrino interactions. Furthermore, we comment on the severe challenges to chiral U(1) X solutions and show the severe constraints on a particularly promising such candidate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1985

Statistical Signal Analysis for Systems with Interferenced Inputs

A new approach is introduced, based on statistical signal analysis, which overcomes the error due to input signal interference. The model analyzed is given. The input signals u sub 1 (t) and u sub 2 (t) are assumed to be unknown. The measurable signals x sub 1 (t) and x sub 2 (t) are interferened according to the frequency response functions, H sub 12 (f) and H sub 21 (f). The goal of the analysis was to evaluate the power output due to each input, u sub 1 (t) and u sub 2 (t), for the case where both are applied to the same time. In addition, all frequency response functions are calculated. The interferenced system is described by a set of five equations with six unknown functions. An IBM XT Personal Computer, which was interfaced with the FFT, was used to solve the set of equations. The software was tested on an electrical two-input, one-output system. The results were excellent. The research presented includes the analysis of the acoustic radiation from a rectangular plate with two force inputs and the sound pressure as an output signal.

Bai, R. M.↗
DOE OSTI2022

Benefits of using multiple Raman laser wavelengths for characterizing defects in a UO 2 matrix

Abstract Raman spectroscopy is one of the most useful techniques for studying the structure of UO 2 and changes due to specific defects caused by doping, changes in stoichiometry, irradiation, or heating under oxidizing conditions. In this paper, we illustrate several aspects of the application of Raman techniques to the study of UO 2 , including the use of wavelength‐dependent excitation (455, 532, and 785 nm) to assess the effects of doping (Nd, Th, and Zr), ion irradiation, and in situ heating and oxidation (UO 2 to U 3 O 8 ). Additionally, we show examples of how correlative microscopy is possible using electron backscatter diffraction combined with Raman maps of specific vibration bands or of laser‐induced luminescence generated by rare‐earth dopants in the matrix. For each of these applications, we suggest optimal excitation wavelengths that vary depending on the desired data. Blue (455 nm) excitation tends to promote oxidation even at low powers, but because Raman spectra change little with doping, irradiation‐induced changes are easier to observe. Green (532 nm) excitation is optimal for observing electron–phonon resonance effects in UO 2 and offers a good compromise for high‐temperature oxidation experiments, delivering high‐quality spectra for both UO 2 and U 3 O 8 . Infrared (785 nm) excitation is best for observing “defect” bands associated with doping in UO 2 , as changes with irradiation are small. Raman spectroscopy is particularly suited for studying the stability of UO 2 towards oxidation in the presence of dopants simulating fission products, where electron–phonon resonant effects, dopant ion luminescence, and mapping can be used together to investigate structural rearrangement as a function of temperature. These techniques can offer insight into microstructural changes in UO 2 fuels at higher burnups envisioned in future reactors.

42 ENGINEERING↗
DOE OSTI2021

Sterile neutrino dark matter and leptogenesis in Left-Right Higgs Parity

The standard model Higgs quartic coupling vanishes at (10 9 – 10 13 ) GeV. We study SU(2) L × SU(2) R × U(1) B–L theories that incorporate the Higgs Parity mechanism, where this becomes the scale of Left-Right symmetry breaking, $v_R$. Furthermore, these theories solve the strong CP problem and predict three right-handed neutrinos. We introduce cosmologies where SU(2) R × U(1) B–L gauge interactions produce right-handed neutrinos via the freeze-out or freeze-in mechanisms. In both cases, we find the parameter space where the lightest right-handed neutrino is dark matter and the decay of a heavier one creates the baryon asymmetry of the universe via leptogenesis. A theory of flavor is constructed that naturally accounts for the lightness and stability of the right-handed neutrino dark matter, while maintaining sufficient baryon asymmetry. The dark matter abundance and successful natural leptogenesis require vR to be in the range (10 10 – 10 13 ) GeV for freeze-out, in remarkable agreement with the scale where the Higgs quartic coupling vanishes, whereas freeze-in requires $v_R$ ≳ 109 GeV. The allowed parameter space can be probed by the warmness of dark matter, precise determinations of the top quark mass and QCD coupling by future colliders and lattice computations, and measurement of the neutrino mass hierarchy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Coupling, lifetimes, and “strong coupling” maps for single molecules at plasmonic interfaces

The interaction between excited states of a molecule and excited states of a metal nanostructure (e.g., plasmons) leads to hybrid states with modified optical properties. When plasmon resonance is swept through molecular transition frequency, an avoided crossing may be observed, which is often regarded as a signature of strong coupling between plasmons and molecules. Such strong coupling is expected to be realized when 2|$\langle$U$\rangle$|/ℏΓ > 1, where $\langle$U$\rangle$ and Γ are the molecule–plasmon coupling and the spectral width of the optical transition, respectively. Because both $\langle$U$\rangle$ and Γ strongly increase with decreasing distance between a molecule and a plasmonic structure, it is not obvious that this condition can be satisfied for any molecule–metal surface distance. Here, in this work, we investigate the behavior of $\langle$U$\rangle$ and Γ for several geometries. Surprisingly, we find that if the only contributions to Γ are lifetime broadenings associated with the radiative and nonradiative relaxation of a single molecular vibronic transition, including effects on molecular radiative and nonradiative lifetimes induced by the metal, the criterion 2|$\langle$U$\rangle$|/ℏΓ > 1 is easily satisfied by many configurations irrespective of the metal–molecule distance. This implies that the Rabi splitting can be observed in such structures if other sources of broadening are suppressed. Additionally, when the molecule–metal surface distance is varied keeping all other molecular and metal parameters constant, this behavior is mitigated due to the spectral shift associated with the same molecule–plasmon interaction, making the observation of Rabi splitting more challenging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Synthesis of bulky hydride ligands: m -terphenylborohydride complexes with trivalent uranium and neodymium

Here we describe the first coordination complexes containing a bulky m-terphenyltrihydroborate ligand. Treating [UI 3 (thf) 4 ] and NdCl 3 with three equiv. of Li(H 3 BAr tBu4 )(Et 2 O) (where Ar tBu4 = 2,6-(3,5- t Bu 2 C 6 H 3 ) 2 C 6 H 3 ) yielded [M(H 3 BAr tBu4 ) 3 (thf) 2 ] (M = U and Nd). [U(H 3 BAr tBu4 ) 3 (dme) 2 ] is also described, and structural comparisons reveal the influence of the Lewis base on H 3 BAr tBu4 positioning.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Continuum laser absorption spectroscopy of C 2 (a 3 Π u ) in a sublimating cloud of carbon black

A direct optical absorption diagnostic has been developed for rotationally resolved measurements of diatomic carbon (a 3 Π u →d 3 Π g (0,0) and (1,1)) at a repetition rate of 525 kHz and resolution of 7.3 pm over the range of 511.1–514.1 nm. The diagnostic utilizes a high-power pulsed continuum laser light source dispersed in a spectrograph and imaged by a high-speed camera. Measurements have been performed that capture the temporal evolution of C 2 number density and temperature of a cloud of carbon black sublimating in shock heated gas at high temperature and pressure (T = 5500 K, P = 3.7 atm). A simultaneous light absorption measurement of the condensed phase enables comparisons of the gaseous C 2 number density to the condensed phase mass. The continuum laser absorption diagnostic is applied to C 2 in this work but shows promise in being a simple “drop-in” system for absorption spectroscopy in the visible range at rapid repetition rates and high dispersion, filling an important gap for laser diagnostic systems.

Willhardt, Colton Dean [Univ. of Illinois at Urban↗
DOE OSTI2020

Search for heavy neutral leptons decaying into muon-pion pairs in the MicroBooNE detector

We present upper limits on the production of heavy neutral leptons (HNLs) decaying to $\mu \pi$ pairs using data collected with the MicroBooNE liquid-argon time projection chamber (TPC) operating at Fermilab. This search is the first of its kind performed in a liquid-argon TPC. We use data collected in 2017 and 2018 corresponding to an exposure of $2.0 \times 10^{20}$ protons on target from the Fermilab Booster Neutrino Beam, which produces mainly muon neutrinos with an average energy of $\approx 800$ MeV. HNLs with higher mass are expected to have a longer time-of-flight to the liquid-argon TPC than Standard Model neutrinos. The data are therefore recorded with a dedicated trigger configured to detect HNL decays that occur after the neutrino spill reaches the detector. We set upper limits at the $90\%$ confidence level on the element $\lvert U_{\mu4}\rvert^2$ of the extended PMNS mixing matrix in the range $\lvert U_{\mu4}\rvert^2<(6.6$-$0.9)\times 10^{-7}$ for Dirac HNLs and $\lvert U_{\mu4}\rvert^2<(4.7$-$0.7)\times 10^{-7}$ for Majorana HNLs, assuming HNL masses between $260$ and $385$ MeV and $\lvert U_{e 4}\rvert^2 = \lvert U_{\tau 4}\rvert^2 = 0$.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1978

A synthetic light curve solution of the OAO-2 ultraviolet light curves of u Herculis

OAO 2 ultraviolet photometry of the eclipsing binary u Her is reported and interpreted. The light curve of u Her is found to be intrinsically variable, the variable light curve is rectified, and the adjusted light and color curves are plotted. A simultaneous solution to three adjusted OAO 2 light curves (at respective wavelengths of 3320, 1910, and 1550 A) is obtained by using the Roche model. The results indicate that the system is semidetached if the gravity darkening of the secondary is not significantly larger than expected. It is suggested that the primary is responsible for the variable light curve, that the monochromatic albedo of the secondary is very low at short wavelengths, and that the depth of primary eclipse is strongly dependent on the primary's limb darkening.

Eaton, J. A.↗
NASA NTRS1988

The lowest ionization potentials of Al2

Potential curves for the lowest two electronic states (X 2 sigma g + and A 2 pi u) of Al2(+) were computed using complete active space SCF/multireference CI wave functions and large Gaussian basis sets. The lowest observable vertical ionization potential (to Al2(+) X 2 sigma g +) of the Al2 X 3 pi u ground state is calculated to occur around 6.1 eV, in excellent agreement with the experimental range of 6.0 to 6.42 eV obtained in recent cluster ionization studies by Cox and co-workers. The second vertical ionization potential (to Al2(+) A 2 pi u) occurs near 6.4 eV, also within the experimental range. The adiabatic IP of 5.90 eV is in good agreement with the value of 5.8 to 6.1 eV deduced by Hanley and co-workers from the difference in thresholds between collision induced dissociation processes of Al3(+). The computed IP values are somewhat larger than those deduced from branching ratios in cluster fragmentation experiments by Jarrold and co-workers. The observation of an ionization threshold below 6.42 eV is shown to be incompatible with an Al2 ground electronic state assignment of 3 sigma g -, but the separation between the two lowest states of Al2 is so small that it is likely that both are populated in the experiments, so that this does not provide unambiguous support for the recent theoretical assignment of the ground state as 3 pi u.

Bauschlicher, Charles W., Jr.↗
DOE OSTI2023

Insight into the structural ambiguity of actinide(IV) oxalate sheet structures: a case for alternate coordination geometries

Plutonium(IV) oxalate hexahydrate (Pu(C 2 O 4 ) 2 ∙ 6H 2 O; PuOx) is an important intermediate in the recovery of plutonium from used nuclear fuel. Its formation via precipitation is well studied, yet its crystal structure remains unknown. Instead, the crystal structure of PuOx is assumed to be isostructural with neptunium(IV) oxalate hexahydrate (Np(C 2 O 4 )­ 2 ∙ 6H 2 O; NpOx) and uranium(IV) oxalate hexahydrate (U(C 2 O 4 )­ 2 ∙ 6H 2 O; UOx) despite the high degree of unresolved disorder that exists when determining water positions in the crystal structures of the latter two compounds. Such assumptions regarding the isostructural behavior of the actinide elements have been used to predict the structure of PuOx for use in a wide range of studies. Herein, we report the first crystal structures for PuOx and Th(C 2 O 4 ) 2 · 6H 2 O (ThOx). This data, along with new characterization of UOx and NpOx, has resulted in the full determination of the structures and resolution of the disorder around the water molecules. Specifically, we identify the coordination of two water molecules with each metal center, which necessitates a change in oxalate coordination mode from axial to equatorial that has not been reported in the literature. Here this work exemplifies the need to revisit previous assumptions regarding fundamental actinide chemistry, which are heavily relied upon within the current nuclear field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Drag Force Anemometer Used in Supersonic Flow

To measure the drag on a flat cantilever beam exposed transversely to a flow field, the drag force anemometer (beam probe) uses strain gauges attached on opposite sides of the base of the beam. This is in contrast to the hot wire anemometer, which depends for its operation on the variation of the convective heat transfer coefficient with velocity. The beam probe retains the high-frequency response (up to 100 kHz) of the hot wire anemometer, but it is more rugged, uses simpler electronics, is relatively easy to calibrate, is inherently temperature compensated, and can be used in supersonic flow. The output of the probe is proportional to the velocity head of the flow, 1/2 rho u(exp 2) (where rho is the fluid density and u is the fluid velocity). By adding a static pressure tap and a thermocouple to measure total temperature, one can determine the Mach number, static temperature, density, and velocity of the flow.

Fralick, Gustave C.↗