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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Spin triplet ground-state in the copper hexamer compounds A 2 C u 3 O ( S O 4 ) 3 ( A = Na , K )

The compounds ${A}_{2}\mathrm{C}{\mathrm{u}}_{3}\mathrm{O}{(\mathrm{S}{\mathrm{O}}_{4})}_{3}(A=\mathrm{Na},\mathrm{K})$ are characterized by copper hexamers which are weakly coupled along the $b$ axis to realize one-dimensional antiferromagnetic chains below ${T}_{\mathrm{N}}{\approx}3\mathrm{K}$, whereas the interchain interactions along the $a$ and $c$ axes are negligible. Here we investigated the energy-level splittings of the copper hexamers by inelastic neutron scattering below and above ${T}_{\mathrm{N}}$. The eight lowest-lying hexamer states could be unambiguously assigned and parametrized in terms of a Heisenberg exchange Hamiltonian, providing direct experimental evidence for an $S=1$ triplet ground-state associated with the copper hexamers. Therefore, the compounds ${A}_{2}\mathrm{C}{\mathrm{u}}_{3}\mathrm{O}{(\mathrm{S}{\mathrm{O}}_{4})}_{3}$ serve as cluster-based spin-1 antiferromagnets to support Haldane's conjecture that a gap appears in the excitation spectrum below ${T}_{\mathrm{N}}$, which was verified by inelastic neutron scattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The Thomas–Fermi quark model: Non-relativistic aspects

The first numerical investigation of non-relativistic aspects of the Thomas–Fermi (TF) statistical multi-quark model is given. We begin with a review of the traditional TF model without an explicit spin interaction and find that the spin splittings are too small in this approach. An explicit spin interaction is then introduced which entails the definition of a generalized spin “flavor”. We investigate baryonic states in this approach which can be described with two inequivalent wave functions; such states can however apply to multiple degenerate flavors. We find that the model requires a spatial separation of quark flavors, even if completely degenerate. Although the TF model is designed to investigate the possibility of many-quark states, we find surprisingly that it may be used to fit the low energy spectrum of almost all ground state octet and decuplet baryons. The charge radii of such states are determined and compared with lattice calculations and other models. The low energy fit obtained allows us to extrapolate to the six-quark doubly strange H-dibaryon state, flavor symmetric strange states of higher quark content and possible six quark nucleon–nucleon resonances. The emphasis here is on the systematics revealed in this approach. We view our model as a versatile and convenient tool for quickly assessing the characteristics of new, possibly bound, particle states of higher quark number content. -- Highlights: • First application of the statistical Thomas–Fermi quark model to baryonic systems. • Novel aspects: spin as generalized flavor; spatial separation of quark flavor phases. • The model is statistical, but the low energy baryonic spectrum is successfully fit. • Numerical applications include the H-dibaryon, strange states and nucleon resonances. • The statistical point of view does not encourage the idea of bound many-quark baryons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dark Energy Survey: A 2.1% measurement of the angular baryonic acoustic oscillation scale at redshift z eff = 0.85 from the final dataset

Here, we present the angular diameter distance measurement obtained with the baryonic acoustic oscillation (BAO) feature from galaxy clustering in the completed Dark Energy Survey, consisting of six years (Y6) of observations. We use the Y6 BAO galaxy sample, optimized for BAO science in the redshift range 0.6 < z <1.2, with an effective redshift at z eff = 0.85 and split into six tomographic bins. The sample has nearly 16 million galaxies over 4,273 square degrees. Our consensus measurement constrains the ratio of the angular distance to sound horizon scale to D M ⁡(z eff )/r d = 19.51 ± 0.41 (at 68.3% confidence interval), resulting from comparing the BAO position in our data to that predicted by planck Λ⁢CDM via the BAO shift parameter α =(D M /r d )/(D M /r d ) PLANCK . To achieve this, the BAO shift is measured with three different methods, angular correlation function (ACF), angular power spectrum (APS), and projected correlation function (PCF), obtaining α = 0.952 ± 0.023, 0.962 ± 0.022, and 0.955 ± 0.020, respectively, which we combine to α = 0.957 ± 0.020, including systematic errors. When compared with the Λ⁢CDM model that best fits planck data, this measurement is found to be 4.3% and 2.1⁢σ below the angular BAO scale predicted. To date, it represents the most precise angular BAO measurement at z > 0.75 from any survey and the most precise measurement at any redshift from photometric surveys. The analysis was performed blinded to the BAO position, and it is shown to be robust against analysis choices, data removal, redshift calibrations, and observational systematics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Coupling of torsion and OH-stretching in tert -butyl hydroperoxide. I. The cold and warm first OH-stretching overtone spectrum

The infrared (IR) spectrum of tert-butyl hydroperoxide (TBHP) in the region of the first OH-stretching overtone has been observed under jet-cooled and thermal (300 K, 3 Torr) conditions at ∼7017 cm−1. The jet-cooled spectrum is recorded by IR multiphoton excitation with UV laser-induced fluorescence detection of OH radical products, while direct IR absorption is utilized under thermal conditions. Prior spectroscopic studies of TBHP and other hydroperoxides have shown that the OH-stretch and XOOH (X = H or C) torsion vibrations are strongly coupled, resulting in a double well potential associated with the torsional motion about the OO bond that is different for each of the OH-stretching vibrational states. A low barrier between the wells on the torsional potential results in tunneling split energy levels, which leads to four distinct transitions associated with excitation of the coupled OH-stretch-torsion states. In order to interpret the experimental results, two theoretical models are used that include the OH-stretch-torsion coupling in TBHP. Both methods are utilized to compute the vibrational transitions associated with the coupled OH-stretch-torsion states of TBHP, revealing the underlying transitions that compose the experimentally observed features. A comparison between theory and experiment illustrates the necessity for treatments that include OH-stretch and COOH torsion in order to unravel the spectral features observed in the first OH-stretching overtone region of TBHP.

Hansen, Anne S. (ORCID:000000026285586X)↗
NASA NTRSDate not supplied

Modelling Sonic Boom Propagation through Planetary Boundary Layer Turbulence near the Lateral Extent of the Carpet

Nonlinear acoustic propagation of sonic booms in the atmospheric boundary layer is considered in the context of a one-way solution to a third order wave equation. A split-step approach is utilized to compute different physical effects efficiently. Unlike previous approaches, the diffraction effects are computed exactly in the forward direction with no restriction on the angle of propagation. This results in more accurate modelling of sonic boom near the carpet edge. Heterogenous flow effects are incorporated with a wide-angle parabolic approximation. Nonlinear propagation is computed with a Burgers-Hayes method. Turbulence in the medium is constructed by the method of random Fourier modes. The turbulence spectra are constructed using an altitude dependent 3-dimensional von Karman spectrum. The turbulence field is considered frozen, as the eddy turnover time in the atmospheric boundary layer is generally much larger than the propagation time of the acoustic wave. Comparisons with benchmark predictions from the PCBoom software are conducted. The benchmark cases provide insight into the accuracy of the current prediction code for non-turbulent atmospheres. Future work is discussed regarding the prediction of shaped booms, boundary conditions, and predictions near the lateral extent of the boom carpet where previous approaches fail to capture the diffraction effects.

sonic boom↗
DOE OSTI2020

Theoretical Treatment of the Coriolis Effect Using Hyperspherical Coordinates, with Application to the Ro-Vibrational Spectrum of Ozone

Here, several alternative methods for the description of the interaction between rotation and vibration are compared and contrasted using hyperspherical coordinates for a triatomic molecule. These methods differ by the choice of the z -axis and by the assumption of a prolate or oblate rotor shape of the molecule. For each case, a block-structure of the rotational–vibrational Hamiltonian matrix is derived and analyzed, and the advantages and disadvantages of each method are made explicit. This theory is then employed to compute ro-vibrational spectra of singly substituted ozone; roughly, 600 vibrational states of 16 O 18 O 16 O and 16 O 16 O 18 O isomers combined, with rotational excitations up to J = 5 and both inversion parities (21600 coupled ro-vibrational states in total). Splittings between the states of different parities, so-called K -doublings, are calculated and analyzed. The roles of the asymmetric-top rotor term and the Coriolis coupling term are determined individually, and it is found that they both affect these splittings, but in the opposite directions. Thus, the two effects partially cancel out, and the residual splittings are relatively small. Energies of the ro-vibrational states reported in this work for 16 O 18 O 16 O and 16 O 16 O 18 O are in excellent agreement with literature (available for low-vibrational excitation). New data obtained here for the highly excited vibrational states enable the first systematic study of the Coriolis effect in symmetric and asymmetric isotopomers of ozone.

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

Theory of molecular emission power spectra. I. Macroscopic quantum electrodynamics formalism

In this work, we study the emission power spectrum of a molecular emitter with multiple vibrational modes in the framework of macroscopic quantum electrodynamics. The theory we present is general for a molecular spontaneous emission spectrum in the presence of arbitrary inhomogeneous, dispersive, and absorbing media. Moreover, the theory shows that the molecular emission power spectra can be decomposed into the electromagnetic environment factor and lineshape function. In order to demonstrate the validity of the theory, we investigate the lineshape function in two limits. In the incoherent limit (single molecules in a vacuum), the lineshape function exactly corresponds to the Franck–Condon principle. In the coherent limit (single molecules strongly coupled with single polaritons or photons) together with the condition of high vibrational frequency, the lineshape function exhibits a Rabi splitting, the spacing of which is exactly the same as the magnitude of exciton–photon coupling estimated by our previous theory [S. Wang et al., J. Chem. Phys. 151, 014105 (2019)]. Finally, we explore the influence of exciton–photon and electron–phonon interactions on the lineshape function of a single molecule in a cavity. The theory shows that the vibronic structure of the lineshape function does not always disappear as the exciton–photon coupling increases, and it is related to the loss of a dielectric environment.

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

A Continuous-Discontinuous Galerkin Method for Electromagnetic Simulations Based on an All-Frequency Stable Formulation

In this paper, a potential-based partial-differential formulation, called the all-frequency stable formulation, is presented for the accurate and robust simulation of electromagnetic problems at all frequencies. Due to its stability from (near) dc to microwave frequencies, this formulation can be applied to simulate wide-band and multiscale problems without encountering the infamous low-frequency breakdown issue or applying basis function decompositions such as the tree-cotree splitting technique. To provide both efficient and flexible numerical solutions to the electromagnetic formulation, a mixed continuous-discontinuous Galerkin (CDG) method is proposed and implemented. In regions with homogeneous media, the continuous Galerkin method is employed to avoid the introduction of duplicated degrees of freedom (DoFs) on the elemental interfaces, while on the interfaces of two different media, the discontinuous Galerkin method is applied to permit the jump of the normal components of the electromagnetic fields. Numerical examples are provided to validate and demonstrate the proposed numerical solver for problems in a wide electromagnetic spectrum.

Yan, Su↗
DOE OSTI2019

Intertwined superfluidity and density wave order in a p -orbital Bose condensate

We study a continuum model of the weakly interacting Bose gas in the presence of an external field with minima forming a triangular lattice. The second lowest band of the single-particle spectrum ( p band) has three minima at nonzero momenta. We consider a metastable Bose condensate at these momenta and find that, in the presence of interactions that vary slowly over the lattice spacing, the order parameter space is isomorphic to S 5 . We show that the enlarged symmetry leads to the loss of topologically stable vortices, as well as two extra gapless modes with quadratic dispersion. Here, the former feature implies that this non-Abelian condensate is a “failed superfluid” that does not undergo a Berezinskii-Kosterlitz-Thouless (BKT) transition. Order-by-disorder splitting appears suppressed, implying that signatures of the S 5 manifold ought to be observable at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1986

Studies of interstellar vibrationally-excited molecules

Several molecules thus far have been detected in the ISM in vibrationally-excited states, including H2, SiO, HC3N, and CH3CN. In order for vibrational-excitation to occur, these species must be present in unusually hot and dense gas and/or where strong infrared radiation is present. In order to do a more thorough investigation of vibrational excitation in the interstellar medium (ISM), studies were done of several mm-wave transitions originating in excited vibrational modes of HCN, an abundant interstellar molecule. Vibrationally-excited HCN was recently detected toward Orion-KL and IRC+10216, using a 12 meter antenna. The J=3-2 rotational transitions were detected in the molecule's lowest vibrational state, the bending mode, which is split into two separate levels, due to l-type doubling. This bending mode lies 1025K above ground state, with an Einstein A coefficient of 3.6/s. The J=3-2 line mode of HCN, which lies 2050K above ground state, was also observed toward IRC+10216, and subsequently in Orion-KL. Further measurements of vibrationally-excited HCN were done using a 14 meter telescope, which include the observations of the (0,1,0) and (0,2,0) modes towards Orion-KL, via their J=3-2 transitions at 265-267 GHz. The spectrum of the J=3-2 line in Orion taken with the 14 meter telescope, is shown, along with a map, which indicates that emission from vibrationally-excited HCN arises from a region probably smaller than the 14 meter telescope's 20 arcsec beam.

Ziurys, L. M.↗
DOE OSTI2026

Tunable magnetic excitations in the honeycomb antiferromagnet (Co,Ni)⁢TiO3

The solid solution of the honeycomb antiferromagnet (AFM) Co0.5⁢Ni0.5⁢TiO3 (CNTO) was synthesized by mixing a 1:1 molar ratio of CoTiO3 (CTO) and NiTiO3 (NTO). Powder neutron scattering was used to determine the structure and magnetic spectrum, where the nuclear and magnetic structures resemble those of the end members. The Néel temperature (T𝑁 = 27 ± 1 K), the ordered magnetic moment (M = 2.29 ± 0.03 𝜇𝐵 per magnetic ion), and lattice parameters are intermediate between those of the two. From inelastic neutron scattering, it is observed that the magnon density of states (MDOS) extends up to 13 meV, and the interaction can be described by an XXZ-type magnetic Hamiltonian. Above 15 meV, spin-orbit excitons (SOEs) are observed similarly to those in CTO, but with modified spin-orbit crystal-field splitting because of the substitution of Ni at Co sites, and the disorder induced by the Ni substitution modifies the spin-orbit crystal field. Thus, the magnetic dynamics of the CNTO cannot be described as a simple average of the two parent compounds.

Rathnayaka, Srimal [University of Virginia, Charlo↗
NASA NTRS1993

Magnetic Field Structure in Monoceros R2

For some time now it has been suspected that magnetic fields play a major role in determining the mass spectrum of stars formed in molecular clouds. Theoretical models of protostellar evolution in a quiescent environment invoke magnetic fields as one form of cloud support and one which has a decisive effect on the minimum stellar mass formed (cf. Shu, Adams and Lizano 1987; Shu et al. 1988). The magnetic field also might act as an angular momentum dampening mechanism---a vital requirement for gravitational collapse and subsequent star formation (Gillis, Mestel and Paris 1974; Mouschovias 1978). Empirical evidence of the contribution of magnetic fields to the total energetics of molecular clouds comes from analysis of Zeeman splitting of OH absorption and thermal emission lines originating from dense (n greater than 10^4 cm^(-3)) cloud cores (Myers and Goodman 1988; Heiles et al. 1991, and references therein)...

Goldsmith, P.F.↗
DOE OSTI2018

Instrumentation for the upgrade to the JET core charge-exchange spectrometers

Charge-exchange spectroscopy on JET has become particularly challenging with the introduction of the ITER-like wall. The line intensities are weaker and contaminated by many nuisance lines. We have therefore upgraded the instrumentation to improve throughput and allow the simultaneous measurement of impurity and fuel-ion charge exchange by splitting the light between two pairs of imaging spectrometers using dichroic beam splitters. Imaging instruments allow us to stack 11 × 1 mm diameter fibres on the entrance slits without cross talk. CCD cameras were chosen to have 512 × 512 pixels to allow frame transfer times <0.2 ms which with minimum exposure times of 5 ms give tolerable smearing even without a chopper. The image plane is optically demagnified 2:1 to match the sensor size of these cameras. Because the image plane of the spectrometer is tilted, the CCD must also be tilted to maintain focus over the spectrum (Scheimpflug condition). To avoid transverse keystoning (causing the vertical height of the spectra to change across the sensor), the configuration is furthermore designed to be telecentric by a suitable choice of the lens separation. The lens configuration is built almost entirely from commercial off-the-shelf components, which allowed it to be assembled and aligned relatively rapidly to meet the deadline for in-vessel calibration in the JET shutdown.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Experimental studies of 7-cell dual axis asymmetric cavity for energy recovery linac

High average current, transportable energy recovery linacs (ERLs) can be very attractive tools for a number of applications including next generation high-luminosity, compact light sources. Conventional ERLs are based on an electron beam circulating through the same set of rf cavity cells. This leads to an accumulation of high-order modes inside the cavity cells, resulting in the development of a beam breakup (BBU) instability, unless the beam current is kept below the BBU start current. This limits the maximum current which can be transported through the ERL and hence the intensity of the photon beam generated. It has recently been proposed that splitting the accelerating and decelerating stages, tuning them separately and coupling them via a resonance coupler can increase the BBU start current. The paper presents the first experimental rf studies of a dual axis 7-cell asymmetric cavity and confirms the properties predicted by the theoretical model. The field structures of the symmetric and asymmetric modes are measured and good agreement with the numerical predictions is demonstrated. The operating mode field flatness was also measured and discussed. A novel approach based on the coupled mode (Fano-like) model has been developed for the description of the cavity eigenmode spectrum and good agreement between analytical theory, numerical predictions and experimental data is shown. Finally, numerical and experimental results observed are analyzed, discussed and a good agreement between theory and experiment is demonstrated.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Redshifts of radio sources in the Million Quasars Catalogue from machine learning

ABSTRACT With the aim of using machine learning techniques to obtain photometric redshifts based upon a source’s radio spectrum alone, we have extracted the radio sources from the Million Quasars Catalogue. Of these, 44 119 have a spectroscopic redshift, required for model validation, and for which photometry could be obtained. Using the radio spectral properties as features, we fail to find a model which can reliably predict the redshifts, although there is the suggestion that the models improve with the size of the training sample. Using the near-infrared–optical–ultraviolet bands magnitudes, we obtain reliable predictions based on the 12 503 radio sources which have all of the required photometry. From the 80:20 training–validation split, this gives only 2501 validation sources, although training the sample upon our previous SDSS model gives comparable results for all 12 503 sources. This makes us confident that SkyMapper, which will survey southern sky in the u, v, g, r, i, z bands, can be used to predict the redshifts of radio sources detected with the Square Kilometre Array. By using machine learning to impute the magnitudes missing from much of the sample, we can predict the redshifts for 32 698 sources, an increase from 28 to 74 per cent of the sample, at the cost of increasing the outlier fraction by a factor of 1.4. While the ‘optical’ band data prove successful, at this stage we cannot rule out the possibility of a radio photometric redshift, given sufficient data which may be necessary to overcome the relatively featureless radio spectra.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Driving ultrafast spin and energy modulation in quantum well states via photo-induced electric fields

Abstract The future of modern optoelectronics and spintronic devices relies on our ability to control the spin and charge degrees of freedom at ultrafast timescales. Rashba spin-split quantum well states, 2D states that develop at the surface of strong spin-orbit coupling materials, are ideal given the tunability of their energy and spin states. So far, however, most studies have only demonstrated such control in a static way. In this study, we demonstrate control of the spin and energy degrees of freedom of surface quantum well states on Bi 2 Se 3 at picosecond timescales. By means of a focused laser pulse, we modulate the band-bending, producing picosecond time-varying electric fields at the material’s surface, thereby reversibly modulating the quantum well spectrum and Rashba effect. Moreover, we uncover a dynamic quasi-Fermi level, dependent on the Lifshitz transition of the second quantum well band bottom. These results open a pathway for light-driven spintronic devices with ultrafast switching of electronic phases, and offer the interesting prospect to extend this ultrafast photo-gating technique to a broader host of 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Solar neutrino measurements in Super-Kamiokande-IV

We report that upgraded electronics, improved water system dynamics, better calibration and analysis techniques allowed Super-Kamiokande-IV to clearly observe very low-energy B 8 solar neutrino interactions, with recoil electron kinetic energies as low as ~ 3.5 MeV . Super-Kamiokande-IV data-taking began in September of 2008; this paper includes data until February 2014, a total livetime of 1664 days. The measured solar neutrino flux is ( 2.308 ± 0.020 ( stat ) - 0.040 + 0.039 ( syst ) ) × 1 0 6 / ( cm 2 sec ) assuming no oscillations. The observed recoil electron energy spectrum is consistent with no distortions due to neutrino oscillations. An extended maximum likelihood fit to the amplitude of the expected solar zenith angle variation of the neutrino-electron elastic scattering rate in SK-IV results in a day/night asymmetry of ( - 3.6 ± 1.6 ( stat ) ± 0.6 ( syst ) ) % . The SK-IV solar neutrino data determine the solar mixing angle as sin 2 θ 12 = 0.327 - 0.031 + 0.026 , all SK solar data (SK-I, SK-II, SK III and SK-IV) measures this angle to be sin 2 θ 12 = 0.334 - 0.023 + 0.027 , the determined mass-squared splitting is Δ m 21 2 = 4.8 - 0.8 + 1.5 × 10 - 5 eV 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Design of Semiconducting Tetrahedral Mn 1 ₋ x Zn x O Alloys and Their Application to Solar Water Splitting

Transition metal oxides play important roles as contact and electrode materials, but their use as active layers in solar energy conversion requires achieving semiconducting properties akin to those of conventional semiconductors like Si or GaAs. In particular, efficient bipolar carrier transport is a challenge in these materials. Based on the prediction that a tetrahedral polymorph of MnO should have such desirable semiconducting properties, and the possibility to overcome thermodynamic solubility limits by nonequilibrium thin-film growth, we exploit both structure-property and composition-structure relationships to design and realize novel wurtzite-structure Mn₁₋ x Zn x O alloys. At Zn compositions above x ≈ 0.3, thin films of these alloys assume the tetrahedral wurtzite structure instead of the octahedral rocksalt structure of MnO, thereby enabling semiconductor properties that are unique among transition metal oxides, i.e., a band gap within the visible spectrum, a band-transport mechanism for both electron and hole carriers, electron doping, and a band lineup suitable for solar hydrogen generation. A proof of principle is provided by initial photo-electrocatalytic device measurements, corroborating, in particular, the predicted favorable hole-transport properties of these alloys.

14 SOLAR ENERGY↗