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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Signatures of the Bromine Atom and Open-Shell Spin Coupling in the X-ray Spectrum of the Bromobenzene Cation

Tabletop X-ray spectroscopy measurements at the carbon K-edge complemented by ab initio calculations are used to investigate the influence of the bromine atom on the carbon core–valence transitions in the bromobenzene cation (BrBz + ). The electronic ground state of the cation is prepared by resonance-enhanced two-photon ionization of neutral bromobenzene (BrBz) and probed by X-rays produced by high-harmonic generation (HHG). Replacing one of the hydrogen atoms in benzene with a bromine atom shifts the transition from the 1s C* orbital of the carbon atom (C*) bonded to bromine by ~1 eV to higher energy in the X-ray spectrum compared to the other carbon atoms (C). Moreover, in BrBz + , the X-ray spectrum is dominated by two relatively intense transitions, 1s C →π* and 1s C* →σ*(C*–Br), where the second transition is enhanced relative to the neutral BrBz. In addition, a doublet peak shape for these two transitions is observed in the experiment. The 1s C →π* doublet peak shape arises due to the spin coupling of the unpaired electron in the partially vacant π orbital (from ionization) with the two other unpaired electrons resulting from the transition from the 1s C core orbital to the fully vacant π* orbitals. Here, the 1s C* →σ* doublet peak shape results from several transitions involving σ* and vibrational C*–Br mode activations following the UV ionization, which demonstrates the impact of the C*–Br bond length on the core–valence transition as well as on the relaxation geometry of BrBz + .

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

Cooling-induced reactivation of distant faults during long-term geothermal energy production in hot sedimentary aquifers

Deep geothermal energy (DGE) represents an opportunity for a sustainable and carbon-free energy supply. One of the main concerns of DGE is induced seismicity that may produce damaging earthquakes, challenging its widespread exploitation. It is widely believed that the seismicity risk can be controlled by using doublet systems circulating water to minimize the injection-induced pressure changes. However, cold water reinjection may also give rise to thermal stresses within and beyond the cooled region, whose potential impacts on fault reactivation are less well understood. Here, we investigate by coupled thermo-hydro-mechanical modeling the processes that may lead to fault reactivation in a hot sedimentary aquifer (HSA) in which water is circulated through a doublet. We show that thermal stresses are transmitted much ahead of the cooled region and are likely to destabilize faults located far away from the doublet. Meanwhile, the fault permeability mainly controls the fault reactivation timing, which entails the importance of employing appropriate characterization methods. This investigation is crucial for understanding the mechanisms controlling induced seismicity associated with DGE in a HSA and allows the success of future DGE projects.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Vanishing RKKY interactions in Ce-based cage compounds

Abstract We report the results of thermodynamic measurements in external magnetic field of the cubic Ce-based cage compounds Ce T 2 Cd 20 ( T = Ni,Pd). Our analysis of the heat-capacity data shows that the Γ 7 doublet is the ground state multiplet of the Ce 3+ ions. Consequently, for the Γ 7 doublet it can be theoretically shown that the Ruderman–Kittel–Kasuya–Yosida interaction between the localized Ce moments mediated by the conduction electrons, must vanish at temperatures much lower than the energy separating the ground state doublet from the first excited Γ 8 quartet. Our findings provide an insight as to why no long range order has been observed in these compounds down to temperatures in the milliKelvin range.

Physics↗
DOE OSTI2021

Importance of dynamic lattice effects for crystal field excitations in the quantum spin ice candidate Pr 2 Zr 2 O 7

We explore dynamic interactions between the crystal lattice and magnetic degrees of freedom in a frustrated magnetic system using the example of a pyrochlore quantum spin-ice candidate Pr 2 Zr 2 O 7 . Using Raman scattering spectroscopy we demonstrate that crystal electric field excitations of Pr3+, which define the magnetic properties of Pr 2 Zr 2 O 7 , cannot be understood within a model of a static lattice. We identify vibronic interactions with a phonon which lead to a splitting of a doublet crystal field excitation at around 55 meV. We also observe an unconventional behavior of a splitting of the non-Kramers ground state doublet of Pr 3+ , revealed by observing excitations to the first excited singlet state $E$$^{0}_{g}$ → A 1 g at around 10 meV. The splitting has a strong temperature dependence, where the doublet structure is most prominent between 50 and 100 K, and the weight of one of the components strongly decreases on cooling contrary to simple thermal population tendency. Furthermore, we suggest a static or dynamic deviation of Pr 3+ from the position in the ideal crystal structure can be the origin of the effect, with the deviation strongly decreasing at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Single-ion properties of the transverse-field Ising model material CoNb 2 O 6

We report CoNb 2 O 6 is one of the few materials that is known to approximate the one-dimensional transverse-field Ising model (1D-TFIM) near its quantum critical point. It has been inferred that Co 2+ acts as a pseudospin 1/2 with anisotropic exchange interactions that are largely Ising-like, enabling the realization of the TFIM. However, the behavior of CoNb 2 O 6 is known to diverge from the ideal TFIM under transverse magnetic fields that are far from the quantum critical point, requiring the consideration of additional anisotropic, bond-dependent (Kitaev-like) terms in the microscopic pseudospin-1/2 Hamiltonian. These terms are expected to be controlled in part by single-ion physics, namely the wave function for the pseudospin-1/2 angular momentum doublet. Here, we present the results of both inelastic neutron scattering measurements and electron paramagnetic resonance spectroscopy on CoNb 2 O 6 , which elucidate the single-ion physics of Co 2+ in CoNb 2 O 6 for the first time. We find that the system is well-described by an intermediate spin-orbit coupled Hamiltonian, and the ground state is a well-isolated Kramers doublet with an anisotropic g tensor. We provide the approximate wave functions for this doublet, which we expect will be useful in theoretical investigations of the anisotropic exchange interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Magnetic properties of a spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ honeycomb lattice

The interplay between spin-orbit coupling, anisotropic magnetic interaction, frustration-induced quantum fluctuations, and spin correlations can lead to novel quantum states with exotic excitations in rare-earth-based quantum magnets. Herein, we present the crystal structure, magnetization, electron spin resonance (ESR), specific heat, and nuclear magnetic resonance (NMR) experiments on the polycrystalline samples of $\mathrm{Ba_9}$$\mathrm{Yb_2}$$\mathrm{Si_6}$$\mathrm{O_{24}}$, in which $\mathrm{Yb^{3+}}$ ions form a perfect honeycomb lattice without detectable antisite disorder. The magnetization data reveal antiferromagnetically coupled spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ degrees of freedom of $\mathrm{Yb^{3+}}$ ions in the Kramers doublet state. The ESR measurements reveal that the first excited Kramers doublet is 32.3(7) meV above the ground state. The specific heat results suggest the absence of any long-range magnetic order in the measured temperature range. Furthermore, the $\mathrm{^{29}Si}$ NMR results do not indicate any signature of magnetic ordering down to 1.6 K, and the spin-lattice relaxation rate reveals the presence of a field-induced gap that is attributed to the Zeeman splitting of the Kramers doublet state in this quantum material. Here, our experiments detect neither spin freezing nor long-range magnetic ordering down to 1.6 K. The current results suggest the presence of short-range spin correlations in this spin-orbit entangled $J_{eff}$ = $\frac{1}{2}$ rare-earth magnet on a honeycomb lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Hints of a new leptophilic Higgs sector?

We show that a new leptophilic Higgs sector can resolve some intriguing anomalies in current experimental data across multiple energy ranges. Motivated by the recent CMS excess in the resonant e μ channel at 146 GeV, we consider a leptophilic two-Higgs-doublet model, and propose a novel resonant production mechanism for the neutral components of the second Higgs doublet at the LHC using the lepton content of the proton. Interestingly, the same Yukawa coupling Y e μ ∼ 0.65 – 0.81 that explains the CMS excess also addresses the muon ( g − 2 ) anomaly. Moreover, the new Higgs doublet also resolves the recent CDF W -boson mass anomaly. The relevant model parameter space will be completely probed by future LHC data. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2021

Observation of Flat Bands in Gated Semiconductor Artificial Graphene

Flat bands near M points in the Brillouin zone are key features of honeycomb symmetry in artificial graphene (AG) where electrons may condense into novel correlated phases. Here we report the observation of van Hove singularity doublet of AG in GaAs quantum well transistors, which presents the evidence of flat bands in semiconductor AG. Two emerging peaks in photoluminescence spectra tuned by backgate voltages probe the singularity doublet of AG flat bands and demonstrate their accessibility to the Fermi level. As the Fermi level crosses the doublet, the spectra display dramatic stability against electron density, indicating interplays between electron-electron interactions and honeycomb symmetry. Our results provide a new flexible platform to explore intriguing flat band physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Spin fluctuations, absence of magnetic order, and crystal electric field studies in the Yb 3+ -based triangular lattice antiferromagnet Rb 3 ⁢Yb⁢(VO 4 ) 2

Here, we report a comprehensive experimental investigation of the structural, thermodynamic, static, and dynamic properties of a triangular lattice antiferromagnet Rb 3 ⁢Yb(VO 4 ) 2 . Through the analysis of magnetic susceptibility, magnetization, and specific heat, complemented by crystal electric field (CEF) calculations, we confirm the Kramers' doublet with effective spin 𝐽 eff = 1/2 ground state. Magnetic susceptibility and isothermal magnetization analysis reveal a weak antiferromagnetic interaction among the 𝐽 eff = 1/2 spins, characterized by a small Curie-Weiss temperature (𝜃$^{\textrm{LT}}_{\textrm{CW}}$ ≃−0.26 K) or a reduced exchange coupling (𝐽/𝑘 B ≃ 0.18 K). The 51 V NMR spectra and spin-lattice relaxation rate (1/𝑇 1 ) show no evidence of magnetic long-range-order down to 1.6 K but reflect strong influence of CEF excitations in the intermediate temperatures. At low temperatures, 1/𝑇 1 ⁡(𝑇) shows pronounced frequency dependence and 1/𝑇 1 vs field at different temperatures follows the scaling behavior, highlighting the role of paramagnetic fluctuations. The CEF calculations using the point charge approximation divulge a large energy gap ( ∼18.61 meV) between the lowest and second lowest energy doublets, further establishing Kramers' doublet as the ground state. Our calculations also reproduce the experimental magnetization and specific heat data and indicate an in-plane magnetic anisotropy. These findings position Rb 3⁢ Yb(VO 4 ) 2 as an ideal candidate to explore intrinsic quantum fluctuations and possible quantum spin-liquid physics in a Yb 3+ -based triangular lattice antiferromagnet.

Sebastian, Sebin J. [Indian Institute of Science E↗
NASA NTRS1972

Simultaneous impact and lunar craters

The existence of large terrestrial impact crater doublets and crater doublets that have been inferred to be impact craters on Mars suggests that simultaneous impact of two or more bodies can occur at nearly the same point on planetary surfaces. An experimental study of simultaneous impact of two projectiles near one another shows that doublet craters with ridges perpendicular to the bilateral axis of symmetry result when separation between impact points relative to individual crater diameter is large. When separation is progressively less, elliptical craters with central ridges and peaks, and circular craters with deep round bottoms are produced. These craters are similar in structure to many of the large lunar craters. Results suggest that the simultaneous impact of meteoroids near one another may be an important mechanism for the production of central peaks in large lunar craters.

Oberbeck, V. R.↗
NASA NTRS1973

Simultaneous impact and lunar craters.

The existence of large terrestrial impact crater doublets and Martian crater doublets that have been inferred to be impact craters demonstrates that simultaneous impact of two or more bodies occurs at nearly the same point on planetary surfaces. An experimental study of simultaneous impact of two projectiles near one another shows that doublet craters with ridges perpendicular to the bilateral axis of symmetry result when separation between impact points relative to individual crater diameter is large. When separation is progressively less, elliptical craters with central ridges and central peaks, circular craters with flat floors containing ridges and peaks, and circular craters with deep round bottoms are produced. These craters are similar in structure to many of the large lunar craters.

Oberbeck, V. R.↗
NASA NTRS1977

Evidence for mass loss in the mid-ultraviolet spectra of Be stars

The spectral region about the Mg II doublet lines near 2800 A of Be and shell stars has been observed. The star Gamma Cas shows narrow components to each resonance doublet line shifted 215 km/s toward shorter wavelengths. The resonance and subordinate lines of Zeta Tau are shifted toward shorter wavelengths by 75 km/s, and the subordinate lines are greatly strengthened. The star Kappa Dra, which is much later in spectral type, shows a comparatively normal doublet spectrum.

Morgan, T. H.↗
NASA NTRS1978

Modification of the Douglas Neumann program to improve the efficiency of predicting component interference and high lift characteristics

The Douglas Neumann method for low-speed potential flow on arbitrary three-dimensional lifting bodies was modified by substituting the combined source and doublet surface paneling based on Green's identity for the original source panels. Numerical studies show improved accuracy and stability for thin lifting surfaces, permitting reduced panel number for high-lift devices and supercritical airfoil sections. The accuracy of flow in concave corners is improved. A method of airfoil section design for a given pressure distribution, based on Green's identity, was demonstrated. The program uses panels on the body surface with constant source strength and parabolic distribution of doublet strength, and a doublet sheet on the wake. The program is written for the CDC CYBER 175 computer. Results of calculations are presented for isolated bodies, wings, wing-body combinations, and internal flow.

Bristow, D. R.↗
NASA NTRS1980

Photographic Combustion Characterization of LOX/Hydrocarbon Type Propellants

The advantages and limitations of using high speed photography to identify potential combustion anomalies (pops, fuel freezing, reactive stream separation (RSS), carbon formation) were demonstrated. Combustion evaluation criteria were developed for evaluating, characterizing, and screening promising low cost propellant combination(s) and injector element(s) for long life, reusable engine systems. Carbon formation and RSS mechanisms and trends were identified by using high speed color photography at speeds up to 6000 frames/sec. Single element injectors were tested with LOX/RP-1, LOX/Propane, LOX/Methane and LOX/Ammonia propellants. Tests were conducted using seven separate injector elements. Five different conventionally machined elements were tested: OFO Triplet; Rectangular Unlike Doublet (RUD); Unlike Doublet (UD); Like on Lke Doublet (LOL-EDM); and Slit Triplet.

Judd, D. C.↗
NASA NTRS1979

A higher order panel method for linearized supersonic flow

The basic integral equations of linearized supersonic theory for an advanced supersonic panel method are derived. Methods using only linear varying source strength over each panel or only quadratic doublet strength over each panel gave good agreement with analytic solutions over cones and zero thickness cambered wings. For three dimensional bodies and wings of general shape, combined source and doublet panels with interior boundary conditions to eliminate the internal perturbations lead to a stable method providing good agreement experiment. A panel system with all edges contiguous resulted from dividing the basic four point non-planar panel into eight triangular subpanels, and the doublet strength was made continuous at all edges by a quadratic distribution over each subpanel. Superinclined panels were developed and tested on s simple nacelle and on an airplane model having engine inlets, with excellent results.

Ehlers, F. E.↗
NASA NTRS1983

Evaluation of factors determining the accuracy of linearized subsonic panel methods

A systematic evaluation of the factors determining the accuracy of linearized subsonic panel methods is presented. In particular, the constant and quadratically varying doublet panel methods are compared for thin and thick surface modelings in two and three dimensions. The sensitivity of results to panel edge and control point locations is studied for both of the methods. The first order convergence of the quadratic doublet method near network edges and the subsequent effect on the Kutta condition is investigated. Results from a quadratic doublet method specifically designed for a vector processing computer are shown.

Thomas, J. L.↗
NASA NTRS1984

Comparison of measured and calculated airloads on an energy efficient transport wing model equipped with oscillating control surfaces

Wind-tunnel measurements of steady and unsteady pressures for a high-aspect-ratio supercritical wing model are compared with calculations by the linear unsteady aerodynamic lifting-surface theory, known as the Doublet Lattice method, at Mach numbers of 0.650 (subsonic) and 0.78 (transonic). The steady-pressure data comparisons are made for incremental changes in angle of attack and control-surface deflection. The unsteady-pressure data comparisons are made for oscillating control-surface deflections. Some differences between the measured and calculated aerodynamics are attributed to viscous and transonic effects that are not accounted for in the Doublet Lattice analysis. Comparisons of the transonic unsteady-pressure data for the oscillating control surfaces are improved by applying empirical corrections based on the steady-pressure measurements to the unsteady Doublet Lattice calculations.

Mccain, W. E.↗
NASA NTRS1984

Comparison of analytical and experimental steadyand unsteady-pressure distributions at Mach number 0.78 for a high-aspect-ratio supercritical wing model with oscillating control surfaces

The unsteady aerodynamic lifting surface theory, the Doublet Lattice method, with experimental steady and unsteady pressure measurements of a high aspect ratio supercritical wing model at a Mach number of 0.78 were compared. The steady pressure data comparisons were made for incremental changes in angle of attack and control surface deflection. The unsteady pressure data comparisons were made at set angle of attack positions with oscillating control surface deflections. Significant viscous and transonic effects in the experimental aerodynamics which cannot be predicted by the Doublet Lattice method are shown. This study should assist development of empirical correction methods that may be applied to improve Doublet Lattice calculations of lifting surface aerodynamics.

Mccain, W. E.↗