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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Effects of the d-donor level of vanadium on the properties of Zn1−xVxO films

We report the effect of d-levels of vanadium atoms on the electronic band structure of ZnO. Polycrystalline layers of Zn1−xVxO with 0 ≤ x ≤ 0.08 were synthesized using magnetron sputtering technique. Electrical measurements show that electron concentration increases with vanadium up to x = 0.04 and then decreases and films become insulating for x > 0.06. Optical characterization reveals that the absorption edge shifts to higher energy, while the photoluminescence (PL) peak shows a shift to lower energy with increasing vanadium content. This unusual optical behavior can be explained by an anticrossing interaction between the vanadium d-levels and the conduction band (CB) of ZnO. The interaction results in an upward shift of unoccupied CB (E+) and the downward shift of the fully occupied E− band derived from the vanadium d-levels. The composition dependence of optical absorption edge (E+) and PL peak (E−) can be fitted using the Band Anticrossing model with the vanadium d-level located at 0.13 eV below CB of ZnO and a coupling constant of 0.65 eV.

García-Hemme, E.↗
DOE OSTI2023

Search for an axion-like particle with forward proton scattering in association with photon pairs at ATLAS

A search for forward proton scattering in association with light-by-light scattering mediated by an axion-like particle is presented, using the ATLAS Forward Proton spectrometer to detect scattered protons and the central ATLAS detector to detect pairs of outgoing photons. Proton-proton collision data recorded in 2017 at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV were analysed, corresponding to an integrated luminosity of 14.6 fb –1 . A total of 441 candidate events were selected. A search was made for a narrow resonance in the diphoton mass distribution, corresponding to an axion-like particle (ALP) with mass in the range 150–1600 GeV. No excess is observed above a smooth background. Upper limits on the production cross section of a narrow resonance are set as a function of the mass, and are interpreted as upper limits on the ALP production coupling constant, assuming 100% decay branching ratio into a photon pair. The inferred upper limit on the coupling constant is in the range 0.04–0.09 TeV –1 at 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Localization and mass spectra of various matter fields on scalar-tensor brane

Recently, a new scalar-tensor braneworld model was presented in [http://dx.doi.org/10.1103/PhysRevD.86.127502]. It not only solves the gauge hierarchy problem but also reproduces a correct Friedmann-like equation on the brane. In this new model, there are two different brane solutions, for which the mass spectra of gravity on the brane are the same. In this paper, we investigate localization and mass spectra of various bulk matter fields (i.e., scalar, vector, Kalb-Ramond, and fermion fields) on the brane. It is shown that the zero modes of all the matter fields can be localized on the positive tension brane under some conditions, and the mass spectra of each kind of bulk matter field for the two brane solutions are different except for some special cases, which implies that the two brane solutions are not physically equivalent. When the coupling constants between the dilaton and bulk matter fields take special values, the mass spectra for both solutions are the same, and the scalar and vector zero modes are localized on the negative tension brane, while the KR zero mode is still localized on the positive tension brane.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Photochemistry in a dense manifold of electronic states: Photodissociation of CH{sub 2}ClBr

We report electronically nonadiabatic dynamics calculations including spin-orbit coupling for the photodissociation of CH{sub 2}ClBr to yield Cl({sup 2}P{sub 3/2}), Cl({sup 2}P{sub 1/2}), Br({sup 2}P{sub 3/2}), and Br({sup 2}P{sub 1/2}). The potential energy is a 24 Multiplication-Sign 24 matrix (divided up here into four 6 Multiplication-Sign 6 blocks in a first approximation to the problem), in a spin-coupled fully diabatic representation obtained by combining the spin-free fourfold way with single-center spin-orbit coupling constants. The spin-free calculations are carried out by multiconfiguration quasidegenerate perturbation theory, and the fully diabatic potentials including spin-orbit coupling are fit to a matrix reactive force field. The dynamics are carried out by the coherent switches with decay of mixing method in the diabatic representation. The results show qualitative agreement with experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

System of Schwinger-Dyson equations and asymptotic behavior in the Euclidean region

A system of Schwinger-Dyson equations for the model of scalar-field interaction is studied in a deep Euclidean region. It is shown that there exists a critical coupling constant that separates the weak-coupling region characterized by the asymptotically free behavior and the strong-coupling region, where the asymptotic behavior of field propagators becomes ultralocal.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A precision test of averaging in AdS/CFT

We reconsider the role of wormholes in the AdS/CFT correspondence. We focus on Euclidean wormholes that connect two asymptotically AdS or hyperbolic regions with $\mathbb{S}$ 1 × $\mathbb{S}$ d-1 boundary. There is no solution to Einstein’s equations of this sort, as the wormholes possess a modulus that runs to infinity. To find on-shell wormholes we must stabilize this modulus, which we can do by fixing the total energy on the two boundaries. Such a wormhole gives the saddle point approximation to a non-standard problem in quantum gravity, where we fix two asymptotic boundaries and constrain the common energy. Crucially the dual quantity does not factorize even when the bulk is dual to a single CFT, on account of the fixed energy constraint. From this quantity we extract a smeared version of the microcanonical spectral form factor. For a chaotic theory this quantity is self-averaging, i.e. well-approximated by averaging over energy windows, or over coupling constants. We go on to give a precision test involving the microcanonical spectral form factor where the two replicas have slightly different coupling constants. In chaotic theories this form factor is known to smoothly decay at a rate universally predicted in terms of one replica physics, provided that there is an average either over a window or over couplings. We compute the expected decay rate for holographic theories, and the form factor from a wormhole, and the two exactly agree for a wide range of two-derivative effective field theories in AdS. This gives a precision test of averaging in AdS/CFT. Our results interpret a number of confusing facts about wormholes and factorization in AdS and suggest that we should regard gravitational effective field theory as a mesoscopic description, analogous to semiclassical mesoscopic descriptions of quantum chaotic systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

f-Orbital Mixing in the Octahedral f 2 Compounds UX 6 2– [X = F, Br, Cl, I] and PrCl 6 3–

Understanding how interactions between the f orbitals and ligand orbitals in lanthanide and actinide systems affect their physical properties is the central issue in f-element chemistry. A wide variety of approaches including both theoretical and experimental tools have been used to study these relationships. Among the most widely used tools has been crystal field theory (CFT), which bridges theory and experiment in that it is a model based largely on atomic theory that is parametrized using experimental data. Crystal field theory is quite accurate for the lanthanides, due in part to the highly contracted nature of the 4f orbitals. For actinides, crystal field theory is less accurate, potentially due to the treatment of orbital mixing. In CFT, orbital mixing is handled implicitly by allowing the electron repulsion parameters (Slater F k parameters) and the spin–orbit coupling constant to vary. As a result, orbital mixing in CFT is isotropic in that the F k parameters and the spin–orbit coupling constant affect all f orbitals equally. This approximation works well for the lanthanides due to the limited degree of orbital mixing in these complexes. In actinide complexes, the 5f orbitals have greater overlap with the ligand orbitals, and this approximation is less accurate than in the lanthanides. In this work, we report a modification of CFT that includes the effect of orbital mixing on electron repulsion and spin–orbit coupling for each f orbital. The model is applied to the tetravalent uranium hexahalide dianions and PrCl 6 3– for which the energies of many low-lying excited states are known. The new model generally fits the data as well the traditional CFT although with fewer parameters. However, the new model does not fit the data better than the more complex CFT models of Faucher and co-workers. The results of the model show in detail how changes in overlap and orbital energies influence the energies of the bonding and antibonding orbitals.

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

Spin–phonon interactions and magnetoelectric coupling in Co 4 B 2 O 9 ( B = Nb, Ta)

In order to explore the consequences of spin–orbit coupling on spin–phonon interactions in a set of chemically similar mixed metal oxides, we measured the infrared vibrational properties of Co 4 B 2 O 9 (B = Nb, Ta) as a function of temperature and compared our findings with lattice dynamics calculations and several different models of spin–phonon coupling. Frequency vs temperature trends for the Co 2+ shearing mode near 150 cm –1 reveal significant shifts across the magnetic ordering temperature that are especially large in relative terms. Bringing these results together and accounting for noncollinearity, we obtain spin–phonon coupling constants of –3.4 and –4.3 cm –1 for Co 4 Nb 2 O 9 and the Ta analog, respectively. Analysis reveals that these coupling constants are derived from interlayer (rather than intralayer) exchange interactions and that the interlayer interactions contain competing antiferromagnetic and ferromagnetic contributions. At the same time, beyond-Heisenberg terms are minimized due to fortuitous symmetry considerations, different from most other 4d- and 5d-containing oxides. Comparison with other contemporary oxides shows that spin–phonon coupling in this family of materials is among the strongest ever reported, suggesting an origin for magnetoelectric coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Search for axioelectric effect of solar axions using BGO scintillating bolometer

Here, a search for axioelectric absorption of solar axions produced in the p+d→ 3 He+γ (5.5 MeV) reaction has been performed with a BGO detector placed in a low-background setup. A model-independent limit on the combination of axion–nucleon and axion–electron coupling constants has been obtained: |g Ae x g$3\atop{AN}$| for 90 % confidence level. The constraint of the axion–electron coupling constant has been obtained for hadronic axion with masses of (0.1–1) MeV: |g Ae | ≤ (0.96 - 8.2) x 10 -8 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Investigating vibrational anharmonic couplings in cyanide-bridged transition metal mixed valence complexes using two-dimensional infrared spectroscopy

Using polarization-selective two-dimensional infrared (2D IR) spectroscopy, we measure anharmonic couplings and angles between the transition dipole moments of the four cyanide stretching (ν{sub CN}) vibrations found in [(NH{sub 3}){sub 5}Ru{sup III}NCFe{sup II}(CN){sub 5}]{sup −} (FeRu) dissolved in D{sub 2}O and formamide and [(NC){sub 5}Fe{sup II}CNPt{sup IV}(NH{sub 3}){sub 4}NCFe{sup II}(CN){sub 5}]{sup 4−} (FePtFe) dissolved in D{sub 2}O. These cyanide-bridged transition metal complexes serve as model systems for studying the role of high frequency vibrational modes in ultrafast photoinduced charge transfer reactions. Here, we focus on the spectroscopy of the ν{sub CN} modes in the electronic ground state. The FTIR spectra of the ν{sub CN} modes of the bimetallic and trimetallic systems are strikingly different in terms of frequencies, amplitudes, and lineshapes. The experimental 2D IR spectra of FeRu and FePtFe and their fits reveal a set of weakly coupled anharmonic ν{sub CN} modes. The vibrational mode anharmonicities of the individual ν{sub CN} modes range from 14 to 28 cm{sup −1}. The mixed-mode anharmonicities range from 2 to 14 cm{sup −1}. In general, the bridging ν{sub CN} mode is most weakly coupled to the radial ν{sub CN} mode, which involves the terminal CN ligands. Measurement of the relative transition dipole moments of the four ν{sub CN} modes reveal that the FeRu molecule is almost linear in solution when dissolved in formamide, but it assumes a bent geometry when dissolved in D{sub 2}O. The ν{sub CN} modes are modelled as bilinearly coupled anharmonic oscillators with an average coupling constant of 6 cm{sup −1}. This study elucidates the role of the solvent in modulating the molecular geometry and the anharmonic vibrational couplings between the ν{sub CN} modes in cyanide-bridged transition metal mixed valence complexes.

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

LABORATORY MEASUREMENTS AND TENTATIVE ASTRONOMICAL IDENTIFICATION OF H{sub 2}NCO{sup +}

The rotational spectrum of H{sub 2}NCO{sup +}, the ground-state isomer of protonated HNCO, has been measured in a molecular beam in the centimeter band with a Fourier transform microwave spectrometer and in a low-pressure laboratory discharge in absorption in the millimeter band. Spectroscopic constants, including the nitrogen-14 hyperfine coupling constant, derived from 30 a-type transitions between 20 and 367 GHz with J ≤ 18 and K{sub a} ≤ 3 allow the principal rotational transitions to be calculated to 1 km s{sup –1} or better in equivalent radial velocity well into the far IR. Two low-lying rotational transitions of H{sub 2}NCO{sup +} in the centimeter band (0{sub 0,} {sub 0}-1{sub 0,} {sub 1} and 1{sub 1,} {sub 0}-2{sub 1,} {sub 1}) were tentatively identified in absorption in the PRIMOS spectral line survey of Sgr B2(N) with the Green Bank Telescope. The lines of H{sub 2}NCO{sup +} arise in a region of the Sgr B2(N) halo whose density is low (n < 1 × 10{sup 4} cm{sup –3}). The derived column density of (6-14) × 10{sup 11} cm{sup –2} implies that the fractional abundance is ∼10{sup –12}. Owing to the ubiquity of HNCO in galactic molecular clouds, H{sub 2}NCO{sup +} is a good candidate for detection in sources spanning a wide range of physical conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Strange stars in Krori–Barua spacetime under f(R,T) gravity

Highlights: We study anisotropic strange star in f(R,T) gravity under Krori–Barua spacetime. The set of solutions provides non-singular as well as stable stellar model. Using observed values for mass and radius, we calculate different physical parameters. The coupling constant χ, between matter and geometry, is the key factor in f(R,T) gravity. - Abstract: In the present work, we study about highly dense compact stars which are made of quarks, specially strange quarks, adopting the Krori–Barua (KB) (Krori and Barua, 1975) metric in the framework of f(R,T) gravity. The equation of state (EOS) of a strange star can be represented by the MIT bag model as p r (r)=(1/3)[ρ(r)-4B g ] where B g is the bag constant, arises due to the quark pressure. Main motive behind our study is to find out singularity free and physically acceptable solutions for different features of strange stars. Here we also investigate the effect of alternative gravity in the formation of strange stars. We find that our model is consistent with various energy conditions and also satisfies Herrera’s cracking condition, TOV equation, static stability criteria of Harrison–Zel'dovich–Novikov etc. The value of the adiabatic indices as well as the EOS parameters re-establishes the acceptability of our model. Here in detail we have studied specifically three different strange star candidates, viz. PSRJ 1614 2230,Vela X-1 and Cen X-3. As a whole, present model fulfils all the criteria for stability. Another fascinating point we have discussed is the value of the bag constant which lies in the range (40-45) MeV/fm 3 . This is quite smaller than the predicted range, i.e., (55–75) MeV/fm 3 (Farhi and Jaffe, 1984 [2]; Alcock et al., 1986 [3]). The presence of the constant (χ), arises due to the coupling between matter and geometry, is responsible behind this reduction in B g value. For χ=0, we get the higher value for B g as the above mentioned predicted range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Cosmological implications of photon-flux upper limits at ultrahigh energies in scenarios of Planckian-interacting massive particles for dark matter

Here using the data of the Pierre Auger Observatory, we report on a search for signatures that would be suggestive of super-heavy particles decaying in the Galactic halo. From the lack of signal, we present upper limits for different energy thresholds above ≳10 8 GeV on the secondary by-product fluxes expected from the decay of the particles. Assuming that the energy density of these super-heavy particles matches that of dark matter observed today, we translate the upper bounds on the particle fluxes into tight constraints on the couplings governing the decay process as a function of the particle mass. Instantons, which are nonperturbative solutions to Yang-Mills equations, can give rise to decay channels otherwise forbidden and transform stable particles into metastable ones. Assuming such instanton-induced decay processes, we derive a bound on the reduced coupling constant of gauge interactions in the dark sector: α X ≲ 0.09, for 10 9 ≲ M X /GeV < 10 19 . Conversely, we obtain that, for instance, a reduced coupling constant α X = 0.09 excludes masses M X ≳ 3 x 10 13 GeV . In the context of dark matter production from gravitational interactions alone during the reheating epoch, we derive constraints on the parameter space that involves, in addition to M X and α X , the Hubble rate at the end of inflation, the reheating efficiency, and the nonminimal coupling of the Higgs with curvature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Limits to Gauge Coupling in the Dark Sector Set by the Nonobservation of Instanton-Induced Decay of Super-Heavy Dark Matter in the Pierre Auger Observatory Data

Instantons, which are nonperturbative solutions to Yang-Mills equations, provide a signal for the occurrence of quantum tunneling between distinct classes of vacua. They can give rise to decays of particles otherwise forbidden. Using data collected at the Pierre Auger Observatory, we search for signatures of such instanton-induced processes that would be suggestive of super-heavy particles decaying in the Galactic halo. These particles could have been produced during the post-inflationary epoch and match the relic abundance of dark matter inferred today. The nonobservation of the signatures searched for allows us to derive a bound on the reduced coupling constant of gauge interactions in the dark sector: α X ≲ 0.09, for 10 9 ≲ M X /GeV < 10 19 . Conversely, we obtain that, for instance, a reduced coupling constant α X = 0.09 excludes masses M X ≳ 3 x 10 13 GeV. In the context of dark matter production from gravitational interactions alone, we illustrate how these bounds are complementary to those obtained on the Hubble rate at the end of inflation from the nonobservation of tensor modes in the cosmological microwave background.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Dispersion relations in non-relativistic two-dimensional materials from quasinormal modes in Hôrava Gravity

We compute dispersion relations of non-hydrodynamic and hydrodynamic modes in a non-relativistic strongly coupled two-dimensional quantum field theory. This is achieved by numerically computing quasinormal modes (QNMs) of a particular analytically known black brane solution to 3+1-dimensional Horava Gravity. Horava Gravity is distinguished from Einstein Gravity by the presence of a scalar field, termed the khronon, defining a preferred time-foliation. Surprisingly, for this black brane solution, the khronon fluctuation numerically decouples from all others, having its own set of purely imaginary eigenfrequencies, for which we provide an analytic expression. All other Horava Gravity QNMs are expressed analytically in terms of QNMs of Einstein Gravity, in units involving the khronon coupling constants and various horizons. Our numerical computation reproduces the analytically known momentum diffusion mode, and extends the analytic expression for the sound modes to a wide range of khronon coupling values. In the eikonal limit (large momentum limit), the analytically known dispersion of QNM frequencies with the momentum is reproduced by our numerics. We provide a parametrization of all QNM frequencies to fourth order in the momentum. We demonstrate perturbative stability in a wide range of coupling constants and momenta.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Quantum phase transitions and band mixing in 135 Ba

Quantum phase transitions and band-mixing phenomena are considered within the framework of a two-state boson–fermion model for the odd-mass 135 Ba nucleus. Here, the purpose of the study is to further explore the nature of the interplay between these modalities within the framework of an even–even boson core described by an IBM Hamiltonian coupled to a j = 3/2 fermion as a function of the strength of the coupling constant that links the boson and fermion pictures. The results show that excitation energies and the known E2 strengths of 135 Ba are sensitive to the strength of the coupling constant, with a best fit to known experimental results yielding results that lie close to those of the recently proposed E(5/4) model.

135Ba↗
DOE OSTI2016

First-principles study of electronic properties of FeSe{sub 1-x}S{sub x} alloys

We have studied the electronic and superconducting properties of FeSe{sub 1-x}S{sub x} (x = 0.0, 0.04) alloys by first-principles calculations using the Korringa-Kohn-Rostoker Atomic Sphere Approximation within the coherent potential approximation (KKR-ASA-CPA). The electronic structure calculations show the ground states of S-doped FeSe to be nonmagnetic. We present the results of our unpolarized calculations for these alloys in terms of density of states (DOS), band structures, Fermi surfaces and the superconducting transition temperature of FeSe and FeSe{sub 0.96}S{sub 0.04} alloys. We find that the substitution of S at Se site into FeSe exhibit the subtle changes in the electronic structure with respect to the parent FeSe. We have also estimated bare Sommerfeld constant (γ{sub b}), electron-phonon coupling constant (λ) and the superconducting transition temperature (T{sub c}) for these alloys, which were found to be in good agreement with experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1981

A High Resolution Spectroscopic Study of the Nu2 Band of Hydrogen Sulfide and the 1-0 Band of Hydrogen Iodide

A tunable diode laser spectrometer was constructed and used to study: (1) the effects of centrifugal distortion on the transition frequencies and strengths of the nu sub 2 band of H2S, and (2) nuclear quadrupole hyperfine structure in the 1-0 band of HI. A total of 126 line frequencies and 94 line strengths in the nu sub 2 band of H2S were measured. The average accuracy of the line frequency measurements was + or - 0.0016 cm. The line strengths were measured to an average accuracy of about 3 percent. The effect of the finite spectral width of the diode laser on the measurement of line strengths is discussed. The observed H2S line frequencies were fit to Watson's AS and NS reduced Hamiltonian in both the Ir and IIIr coordinate representations in order to determine the best set of rotation distortion constants for the upper state of the nu sub 2 band. Comparisons of the observed line strengths in this band to rigid rotor line strengths are also presented. Nuclear quadrupole hyperfine structure in the low J lines of the 1-0 band of HI was observed. The upper vibrational state nuclear quadrupole coupling constant, determined from the observed splittings, was -1850 MHz + or - 12 MHz or 1.2 percent + or - 0.7 percent larger than the ground state coupling constant.

Strow, L. L.↗