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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Confrontation of Observation and Theory: High-frequency QPOs in X-Ray Binaries, Tidal Disruption Events, and Active Galactic Nuclei

In this paper, we compile observations of high-frequency quasi-periodic oscillations (QPOs) around black holes, both stellar and supermassive, and compare their positions in the parameter space of black hole mass, spin, and oscillation frequency. We find that supermassive black holes occupy a separate region of parameter space than stellar, and further, that QPOs seen around tidal disruption events rather than Seyfert-type active galactic nuclei (AGN) occupy an entirely different space. We then compare these results to the orbital resonance, diskoseismic, warped disk, and disk–jet coupling theoretical models for the origin of high-frequency QPOs. We find that while oscillations around stellar mass black holes are generally consistent with the above models, supermassive black holes are decidedly not. Oscillations seen in tidal disruption events are consistent with oscillations near the frequency of the innermost stable circular orbit, while QPOs in AGN are not accounted for by any of the physical models in consideration. This indicates that despite the scale invariance of accretion processes implied by a decades-wide correlation between QPO frequency and black hole mass, any theory of high-frequency QPOs must relate the frequency to more than just the mass and spin.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1991

Grand unified theories, topological defects and ultrahigh-energy cosmic rays

The ultrahigh-energy (UHE) proton and neutrino spectra resulting from collapse or annihilations of topological defects surviving from the GUT era are calculated. Irrespective of the specific process under consideration (which determines the overall normalization of the spectrum), the UHE proton spectrum always 'recovers' at approximately 1.8 x 10 exp 11 GeV after a partial Greisen-Zatsepin-Kuz'min 'cutoff' at approximately 5 x 10 exp 10 GeV and continues to a GUT-scale energy with a universal shape determined by the physics of hadronic jet fragmentation. Implications of our results are discussed.

Bhattacharjee, Pijushpani↗
NASA NTRS1991

The theory and diagnostic promise of supernova gamma-rays

The diagnostic power of gamma-ray and X-ray observations of supernovae of all types is reviewed. The basic features of supernova gamma-ray emission and the beginnings of a program to characterize the entire family of supernovae in gamma light are outlined.

Burrows, Adam↗
NASA NTRS1992

Grand unified theories, topological defects, and ultrahigh-energy cosmic rays

The ultrahigh-energy (UHE) proton and neutrino spectra resulting from collapse or annihilations of topological defects surviving from the GUT era are calculated. Irrespective of the specific process under consideration (which determines the overall normalization of the spectrum), the UHE proton spectrum always 'recovers' at approximately 1.8 x 10 exp 11 GeV after a partial Greisen-Zatsepin-Kuz'min 'cutoff' at approximately 5 x 10 exp 10 GeV and continues to a GUT-scale energy with a universal shape determined by the physics of hadronic jet fragmentation. Implications of the results are discussed.

Bhattacharjee, Pijushpani↗
NASA NTRS1979

Iron lines from X-ray binaries

A summary of the observational evidence of iron lines from satellite X-ray detectors and binary X-ray pulsars is presented. The current theories consider that the continua X-rays from X-ray pulsars originate at or near the surface of neutron stars, and they can then heat or fluoresce iron ions in surrounding physical regions to create the observed emission. Measurements of the line energy, intensity, and width, and the phase dependence of these quantities can help determine the relative importance of contributions of relative sources. The evidence is presented that the iron emission from some sources contains more than one component, and the spectra of other X-ray binaries including transients and cataclysmic variables also contain iron lines. Some implications of the observed line emission are discussed.

Pravdo, S. H.↗
NASA NTRS1995

Anisotropic turbulence in the solar wind

Solar wind turbulence has been viewed traditionally as composed of parallel propagating ('slab' fluctuations) or otherwise as isotropic turbulence. A variety of recent investigations, reviewed here, indicate that the spectrum may contain a significant admixture of two dimensional fluctuations, having variations mainly perpendicular to the local magnetic field. These indications come from simulations, from the theory of nearly incompressible MHD, from cosmic ray transport studies and from transport theory for solar wind turbulence, as well as from interpretations of direct observations. Thus, solar wind turbulence may be more like bundles of spaghetti than like parallel phase fronts.

Matthaeus, W. H.↗
NASA NTRS1992

Simulations of sonic boom ray tube area fluctuations for propagation through atmospheric turbulence including caustics via a Monte Carlo method

A theory which gives statistical predictions for how often sonic booms propagating through the earth's turbulent boundary layer will encounter caustics, given the spectral properties of the atmospheric turbulence, is outlined. The theory is simple but approximately accounts for the variation of ray tube areas along ray paths. This theory predicts that the variation of ray tube areas is determined by the product of two similar area factors, psi (x) and phi (x), each satisfying a generic harmonic oscillator equation. If an area factor increases the peak acoustic pressure decreases, and if the factor decreases the peak acoustic pressure increases. Additionally, if an area factor decreases to zero and becomes negative, the ray has propagated through a caustic, which contributes a phase change of 90 degrees to the wave. Thus, it is clear that the number of times that a sonic boom wave passes through a caustic should be related to the distorted boom waveform received on the ground. Examples are given based on a characterization of atmospheric turbulence due to the structure function of Tatarski as modified by Crow.

Sparrow, Victor W.↗
NASA NTRS1985

On the emission region of gamma ray bursts

Within the last few years the rapid accumulation of gamma ray burst spectral data, especially those of KONUS and solar maximum mission, has made the confrontation between theories of the gamma ray emission mechanisms and observations much more urgent and challenging. At present the most viable mode seems to be some combination of inverse Comptonization and synchrotron emission. Here, an attempt is made to limit the acceptable parameter space of the emission region by taking into account the maximum set of observational constraints. These are then applied to two specific scenarios: surface emission versus magnetospheric emission. Some observable predictions based on these scenarios are considered.

Liang, E. P.↗
DOE OSTI2023

Theory and Simulation of Ultrafast Multidimensional Nonlinear X-ray Spectroscopy of Molecules (Final Report)

Emerging X-ray free electron laser (XFEL) beam sources offer new types of probes of matter with unprecedented spatial and temporal resolutions. These experimental advances must be met by robust theoretical and computational tools that provide predictive modeling capacity of the underlining electronic and structural dynamics. The latter will be essential for the design of sophisticated multi-pulse experiments and for their interpretation. The proposed research effort will focus on developing cutting- edge simulation tools for nonlinear multidimensional X-ray/optical spectroscopies and aims to address key questions in Priority Research Opportunities 1 (Probing and controlling electron motion within a molecule) and 3 (Capturing rare events and intermediate states in the transformation of matter) as mentioned in the BES Roundtable Report “Opportunities for Basic Research at the Frontiers of XFEL Ultrafast Science”. XFEL multidimensional nonlinear techniques, which combine sequences of X-ray and possibly optical pulses, provide a unique experimental toolbox for probing the dynamics of core and valence electronic excitations, as well as material structure. Predictive modeling of these dynamical processes requires the combination of analytical theory for nonlinear interactions of light and matter, robust quantum-chemical methodologies for the accurate description of electronic structure of various materials, and multiscale ab initio electron and nuclear dynamics techniques operating beyond Born-Oppenheimer approximation. These challenges will be addressed with three research thrusts (i) Develop and implement theoretical apparatus for modeling a broad range of multidimensional spectroscopic techniques enabled by present and upcoming XFEL facilities. This thrust also includes the incorporation of a computational module in the DOE supported open-source NWChem computational chemistry package as well as the development of other open-source codes ready for dissemination across a broad user base; (ii) Propose and design new multi-pulse experiments that make use of the capabilities of the incoming LCLS-II facility; (iii) Perform selected applications to specific molecular systems that can be carried out at LCLS-II and demonstrate how these X-ray sources may be used to study nonadiabatic dynamics through conical interactions, electronic correlations in multi-core excitons, and charge transfer/energy transfer processes. The proposed research will be carried out by a multi-disciplinary four-institution research team which combines academia and national laboratories and spans the broad and necessary expertise in theoretical spectroscopy, nonlinear optics, quantum chemistry, molecular non-adiabatic dynamics and code development. The work will be performed in a highly interactive team environment with junior researchers shared between institutions thus cementing cross- disciplinary interactions. The developed simulation tools will be immediately deployed for XFEL facility users, both experimentalists and theorists, via freely distributed codes and databases. Altogether, this project will facilitate establishing XFEL-based multidimensional spectroscopies as a novel diagnostic tool for monitoring electronic and structural dynamics in molecular materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Core-to-core X-ray emission spectra from Wannier based multiplet ligand field theory

Recent advances using Density Functional Theory (DFT) to augment Multiplet Ligand Field Theory (MLFT) have led to ab-initio calculations of many formerly empirical parameters. This development makes MLFT more predictive instead of interpretive, thus improving its value for studies of highly correlated 3 d , 4 d , and ƒ-electron systems. Synchrotron time is always at a premium, and tools that provide predictive capabilities have clear value when it comes to planning studies. Here, in this work, we develop a DFT + MLFT based approach for core-to-core Kα x-ray emission spectra (XES) and evaluate its performance for a range of transition metal systems. We find good agreement between theory and experiment, as well as the ability to capture key spectral trends related to spin and oxidation state. We also discuss limitations of the model in the context of the remaining free parameters and suggest directions forward.

Ab initio theoretical treatment↗
DOE OSTI2022

Atomic-Layer-Deposited Aluminum Oxide Thin Films Probed with X-ray Scattering and Compared to Molecular Dynamics and Density Functional Theory Models

A better understanding of amorphous aluminum oxide’s structure and electronic properties is obtained through combined experimental and computational approaches. Grazing incidence X-ray scattering measurements were carried out on aluminum oxide thin films grown using thermal atomic layer deposition. The corresponding pair distribution functions (PDFs) showed structures similar to previously reported PDFs of solid-state amorphous alumina and molten alumina. Structural models based on crystalline alumina polymorphs (PDFgui) and amorphous alumina (molecular dynamics, MD) were examined for structural comparisons to the experimental PDF data. Smaller MD models were optimized and verified against larger models to allow for quantum chemical electronic structure calculations. The electronic structure of the amorphous alumina models yields additional insight into the band structure and electronic defects present in amorphous alumina that are not present in crystalline samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

A ray tracing model of gravity wave propagation and breakdown in the middle atmosphere

Gravity wave ray tracing and wave packet theory is used to parameterize wave breaking in the mesosphere. Rays are tracked by solving the group velocity equations, and the interaction with the basic state is determined by considering the evolution of the packet wave action density. The ray tracing approach has a number of advantages over the steady state parameterization as the effects of gravity wave focussing and refraction, local dissipation, and wave response to rapid changes in the mean flow are more realistically considered; however, if steady state conditions prevail, the method gives identical results. The ray tracing algorithm is tested using both interactive and noninteractive models of the basic state. In the interactive model, gravity wave interaction with the polar night jet on a beta-plane is considered. The algorithm produces realistic polar night jet closure for weak topographic forcing of gravity waves. Planetary scale waves forced by local transfer of wave action into the basic flow in turn transfer their wave action into the zonal mean flow. Highly refracted rays are also found not to contribute greatly to the climatology of the mesosphere, as their wave action is severely reduced by dissipation during their lateral travel.

Schoeberl, M. R.↗
NASA NTRS1992

Physical processes and diagnostics of gamma-ray burst emission

With improved data from BATSE and other instruments, it is important to develop a range of diagnostic tools to link gamma-ray burst observations with theory. I will review some of the physical processes which may take place to form the spectrum of gamma-ray burst sources, assuming that the bursts originate on strongly magnetized neutron stars. The important diagnostics that these processes provide to probe the emission region and how they might be used to interpret observed spectra will also be discussed.

Harding, Alice K.↗
NASA NTRS1970

FASTER 3: A generalized-geometry Monte Carlo computer program for the transport of neutrons and gamma rays. Volume 1: Summary report

The theory used in FASTER-III, a Monte Carlo computer program for the transport of neutrons and gamma rays in complex geometries, is outlined. The program includes the treatment of geometric regions bounded by quadratic and quadric surfaces with multiple radiation sources which have specified space, angle, and energy dependence. The program calculates, using importance sampling, the resulting number and energy fluxes at specified point, surface, and volume detectors. It can also calculate minimum weight shield configuration meeting a specified dose rate constraint. Results are presented for sample problems involving primary neutron, and primary and secondary photon, transport in a spherical reactor shield configuration.

Jordan, T. M.↗
NASA NTRS1980

The Crimean Solar Maximum Year Workshop, selected reports

Problems associated with the transport of energy and acceleration of charged particles in solar flares are considered. Existing theories are compared with observation with a view to either discriminating between rival theories (such as whether hard X-rays are emitted by thermal or nonthermal bremsstrahlung), constraining existing theories (such as deduction of the number of nonthermal electrons present from spectroscopic diagnostics in the soft X-ray part of the spectrum), or suggesting theories (such as attempting to explain the observed spatial structure of microwave emission relative to alpha).

Emslie, A. G.↗
NASA NTRS1974

The distribution of cosmic rays in the galaxy and their dynamics as deduced from recent gamma-ray observations

Recent data from SAS-2 on the galactic gamma ray line flux as a function of longitude reveal a broad maximum in the gamma ray intensity in the region absolute value of l approximately smaller than 30 deg. These data imply that the low energy galactic cosmic ray flux varies with galactocentric distance and is about an order of magnitude higher than the local value in a toroidal region between 4 and 5 kpc from the galactic center. This enhancement can be plausibly accounted for by first order Fermi acceleration, compression and trapping of cosmic rays consistent with present ideas of galactic dynamics and galactic structure theory. Calculations indicate that cosmic rays in the 4 to 5 kpc region are trapped and accelerated over a mean time of the order of a few million years or about 2 to 4 times the assumed trapping time in the solar region of the galaxy.

Puget, J. L.↗