Search NASA⌕ Search

SEARCH · Search NASA

Results for “ray theory”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Distance-independent evidence for relativistic motion in the quasar NRAO 140

VLBI radio and X-ray observations were made of the bright X-ray quasar NRAO 140. The radio structure consists of two very compact components plus a more diffuse jet. Based on the standard synchrotron theory, the Compton X-ray emission from one of these compact components was found to exceed the observed value by three orders of magnitude. Since this result is independent of distance and there is no evidence for coherent emission, it is concluded that the component is moving toward us at a relativistic speed with a Lorentz factor exceeding 4. Future observations should reveal superluminal separation of the components, as well as help in determining which components are undergoing relativistic motion.

Marscher, A. P.↗
DOE OSTI2022

Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches

The desorption of a carbon monoxide molecule from a Ru(0001) surface was studied by means of X-ray Absorption Spectra (XAS) computed with Transition Potential (TP-DFT) and Time Dependent (TD-DFT) DFT methods. By unraveling the evolution of the CO electronic structure upon desorption, we observed that at 2.3 Å from the surface, the CO molecule has already predominantly gas-phase character. While C 1s XAS is quite insensitive to changes in the C–O bond length, the O 1s excitation is very sensitive with the π* coming down in energy upon CO bond stretching, which competes with the increase in orbital energy due to the repulsive interaction with the metallic surface. We show in a systematic way that the TP-DFT method can describe the XAS rather well at the endpoints (chemisorbed and gas phase) but is affected by artificial charge transfer and/or incorrect spin treatment in the transition region in cases like CO, where there are low-lying π* orbitals and large exchange interactions between the core 1s and valence-acceptor π* orbitals. As an alternative, we demonstrate by comparing with experimental data that a linear response approach using TD-DFT employing common exchange-correlation functionals and finite-size clusters can yield a good description of the spectral evolution of the 1s → π* transition with correct spin and gas-to-chemisorbed chemical shifts in good agreement with experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Ray propagation in oblate atmospheres

Phinney and Anderson's (1968) exact theory for the inversion of radio-occultation data for planetary atmospheres breaks down seriously when applied to occultations by oblate atmospheres because of departures from Bouguer's law. It has been proposed that this breakdown can be overcome by transforming the theory to a local spherical symmetry which osculates a ray's point of closest approach. The accuracy of this transformation procedure is assessed by evaluating the size of terms which are intrinsic to an oblate atmosphere and which are not eliminated by a local spherical approximation. The departures from Bouguer's law are analyzed, and it is shown that in the lowest-order deviation from that law, the plane of refraction is defined by the normal to the atmosphere at closest approach. In the next order, it is found that the oblateness of the atmosphere 'warps' the ray path out of a single plane, but the effect appears to be negligible for most purposes. It is concluded that there seems to be no source of serious error in making an approximation of local spherical symmetry with the refraction plane defined by the normal at closest approach.

Hubbard, W. B.↗
NASA NTRS1986

Physics through the 1990s: Gravitation, cosmology and cosmic-ray physics

The volume contains recommendations for space-and ground-based programs in gravitational physics, cosmology, and cosmic-ray physics. The section on gravitation examines current and planned experimental tests of general relativity; the theory behind, and search for, gravitational waves, including sensitive laser-interferometric tests and other observations; and advances in gravitation theory (for example, incorporating quantum effects). The section on cosmology deals with the big-bang model, the standard model from elementary-particle theory, the inflationary model of the Universe. Computational needs are presented for both gravitation and cosmology. Finally, cosmic-ray physics theory (nucleosynthesis, acceleration models, high-energy physics) and experiment (ground and spaceborne detectors) are discussed.

Source record↗
DOE OSTI2020

Needle-Like Ferroelastic Domains in Individual Ferroelectric Nanoparticles

Superior structural, physical and electronic properties make ferroelectric nanocrystals essential in enabling a range of next-generation devices. Ferroelectric responses are determined by crystal structure and domain morphology. The ability to reversibly displace, create and annihilate elastic domains is critical to device applications. Whereas electric-field control has been demonstrated for ferroelectric 180° surface domain walls and vortices, similar control of ferroelastic domains and domain boundaries within individual nanocrystals remains challenging. Using controlled external compressive and tensile axial stress, deterministic and reversible control of highly mobile ferroelastic domains and axial polarization in three dimensions is demonstrated in this study. While many studies exist on ferroelastic domains in thin films and bulk, little is known about ferroelastic interactions at the single nanoparticle level, especially involving domain boundaries. Through combining Bragg coherent X-ray diffractive imaging and Landau theory, strain gradients in individual BaTiO3 nanocrystals are shown to stabilize needle-like ferroelastic twin domains. These domains are highly labile under applied axial stress, producing a locally enhanced electric polarization mediated by a ferroelectric phase transition. The efficacy of Bragg coherent X-ray diffractive imaging in studying in operando domains in three-dimensions is demonstrated, while synergy with theory provides a paradigm for domain boundary engineering and potential for nanoscale functional devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Core excitations with excited state mean field and perturbation theory

In this work, we test the efficacy of excited state mean field theory and its excited-state-specific perturbation theory on the prediction of K-edge positions and x-ray peak separations. We find that the mean field theory is surprisingly accurate, even though it contains no accounting of differential electron correlation effects. In the perturbation theory, we test multiple core-valence separation schemes and find that, with the mean field theory already so accurate, electron-counting biases in one popular separation scheme become a dominant error when predicting K-edges. Happily, these appear to be relatively easy to correct for, leading to a perturbation theory for K-edge positions that is lower scaling and more accurate than coupled cluster theory and competitive in accuracy with recent high-accuracy results from restricted open-shell Kohn-Sham theory. For peak separations, our preliminary data show excited state mean field theory to be exceptionally accurate, but more extensive testing will be needed to see how it and its perturbation theory compare to coupled cluster peak separations more broadly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Gamma rays and supernova explosions

The detection of gamma rays from supernovae will provide interesting tests of current theory. Some current ideas on the expected gamma ray flux, as modified by recent theoretical results are reviewed.

Arnett, W. D.↗
DOE OSTI2025

Constraints on magnetism and correlations in RuO 2 from lattice dynamics and Mössbauer spectroscopy

We provide experimental evidence for the absence of a magnetic moment in bulk RuO 2 , a candidate altermagnetic material, by using a combination of Mössbauer spectroscopy, nuclear forward scattering, inelastic X-ray and neutron scattering, and density functional theory calculations. Using complementary Mössbauer and nuclear forward scattering, we determine the Ru magnetic hyperfine splitting to be negligible. Inelastic X-ray and neutron scattering-derived lattice dynamics of RuO 2 are compared to density functional theory calculations of varying flavors. Comparisons among theory with experiments indicate that electronic correlations, rather than magnetic order, are key in describing the lattice dynamics.

Mössbauer spectroscopy↗
NASA NTRS1966

Lectures on Relativity Theory

Relativity theory lectures involving Lorentz transformations, Minkowski space, and tensor analysis

RELATIVITY THEORY↗
NASA NTRS1985

The heaviest cosmic-ray nuclei

The implications of abundance measurements of cosmic-ray nuclei heavier than Fe are examined in light of standard propagation models and nucleosynthetic theory. Suggestions that the cosmic-ray source abundances differ significantly from solar system abundances are not well supported by the data without assuming ad hoc models of preferential acceleration. The solar system abundances of Pb and Bi are split into r-, standard s-, and cyclic s-process components to assess the contributions of these nucleosynthetic processes to the cosmic-ray source. The apparent deficiency of Pb seen in the HEAO 3 HNE data might indicate an absence of Pb from the recycling s-process.

Margolis, S. H.↗
NASA NTRS1994

Coronal X-ray sources in the Hyades: A 40 kilosecond ROSAT pointing

We present results of a 40 ks ROSAT pointed observation of the Hyades cluster. The limiting L(sub x) is approximately = 2 x 10(exp 27) ergs/sec at field center, increasing to approximately = 2 x 10(exp 28) ergs/sec at 40 min off-axis. This represents the most sensitive X-ray observation to date in the Hyades region. More than 30 sources have been detected in the Position Sensitive Proportional Counter (PSPC) standard processing, of which 15 are Hyades members, five are cluster candidates that are likely non-members, four are foreground or background stars, and the remainder are unidentified. One Hyad, VB 173 (= VA 276), lies in a confused region, but is detected as a distinct source in the soft band only (E approximately less than 0.5 keV). We report upper limits for four other Hyades members in our field, all M dwarfs. Of the 16 Hyades detections, two represent the optically faintest members seen to date in X-rays; VA 260 (V = 16.68) and VA 368 (V = 16.25). These are both M dwarfs of mass approximately = 0.15-0.2 solar mass and are fully convective stars according to current theory. Analysis of X-ray light curves using 1 ks bins indicates some variability in the strongest sources and a possible flare in VA 383. Two Hyades stars, VB 141 and VB 71, were also detected with the co-aligned Wide Field Camera (WFC) EUV instrument. VB 141, the second brightest X-ray source in the Hyades, remains an enigma: a rapidly rotating FO star with a fainter, long-period companion, this object has an X-ray spectrum indicative of strong coronal activity. X-ray pulse-height analysis demonstrates that coronal models with at least two temperatures are required for most of the stronger X-ray sources. The ROSAT X-ray spectra generally require higher temperatures for the hotter component in the M dwarfs compared to the F-G dwarfs.

Stern, Robert A.↗
NASA NTRS1979

Application of the trap-plus-precipitation hard X-ray burst model to the flare of August 4, 1972

The theory of Melrose and Brown (1976) concerning the X-ray spectrum resulting from combined precipitation and in-trap acceleration of nonthermal electrons is applied to a large solar flare on the basis of high-time-resolution hard X-ray data. The time behavior of the electron source function is inferred as a function of energy and mean ambient trap density. The results are interpreted in the context of a purely thick-target model, a static trap with continuous injection of fresh electrons, and a dynamic trap with continuous redistribution of electron energies. It is concluded that: (1) a minimum trap density exists below which the static-trap description cannot be valid; (2) a mean ambient trap density less than the cited minimum is possible if a dynamic trap is invoked; and (3) the electron source function at a given instant in such low-density dynamic traps may bear little or no resemblance to a power-law spectrum despite its production, via nonthermal bremsstrahlung, of a power-law X-ray spectrum.

Emslie, A. G.↗
DOE OSTI2023

Intermetallic alloy structure–activity descriptors derived from inelastic X-ray scattering

Synchrotron spectroscopy and Density Functional Theory (DFT) are combined to develop a new descriptor for the stability of adsorbed chemical intermediates on metal alloy surfaces. This descriptor probes the separation of occupied and unoccupied d electron density in platinum and is related to shifts in Resonant Inelastic X-ray Scattering (RIXS) signals. Simulated and experimental spectroscopy are directly compared to show that the promoter metal identity controls the orbital shifts in platinum electronic structure. The associated RIXS features are correlated with the differences in the band centers of the occupied and unoccupied d bands, providing chemical intuition for the alloy ligand effect and providing a connection to traditional descriptions of chemisorption. The ready accessibility of this descriptor to both DFT calculations and experimental spectroscopy, and its connection to chemisorption, allow for deeper connections between theory and characterization in the discovery of new catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Revisiting the structures and phase transitions of Ba 2 NaNb 5 O 15

The room-temperature and low-temperature structure(s) of Ba 2 NaNb 5 O 15 (BNN) have been debated since the structure was proposed in the 1960s. This work revisits the structures and phase transitions of BNN, combining high-resolution X-ray and neutron powder diffraction with density functional theory calculations. Temperature-dependent high-resolution X-ray powder diffraction patterns are collected from 4 to 918 K, and sequential batch Rietveld refinement using a symmetry mode approach to describe the structure is used to extract the main structural changes as a function of temperature. The data show that the average structure of BNN is best described by the Ama2 space group, and no other structural phase transitions were observed below the ferroelastic transition. The symmetry mode analysis, combining results from diffraction and density functional theory, shows significant octahedral tilting and corrugations of both the A1 and A2 sites along the c direction. A strong correlation between the spontaneous strain and the octahedral tilting was observed, and a potential connection with emerging microstructure at low temperatures is proposed, all enabled by the symmetry mode approach used in this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Workshop on Solar Activity, Solar Wind, Terrestrial Effects, and Solar Acceleration

A summary of the proceedings from the workshop are presented. The areas covered were solar activity, solar wind, terrestrial effects, and solar acceleration. Specific topics addressed include: (1) solar cycle manifestations, both large and small scale, as well as long-term and short-term changes, including transients such as flares; (2) sources of solar wind, as identified by interplanetary observations including coronal mass ejections (CME's) or x-ray bright points, and the theory for and evolution of large-scale and small-scale structures; (3) magnetosphere responses, as observed by spacecraft, to variable solar wind and transient energetic particle emissions; and (4) origin and propagation of solar cosmic rays as related to solar activity and terrestrial effects, and solar wind coronal-hole relationships and dynamics.

Source record↗
NASA NTRS1992

Particle acceleration, transport and turbulence in cosmic and heliospheric physics

In this progress report, the long term goals, recent scientific progress, and organizational activities are described. The scientific focus of this annual report is in three areas: first, the physics of particle acceleration and transport, including heliospheric modulation and transport, shock acceleration and galactic propagation and reacceleration of cosmic rays; second, the development of theories of the interaction of turbulence and large scale plasma and magnetic field structures, as in winds and shocks; third, the elucidation of the nature of magnetohydrodynamic turbulence processes and the role such turbulence processes might play in heliospheric, galactic, cosmic ray physics, and other space physics applications.

Matthaeus, W.↗