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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Feeling Gravity's Pull: Gravity Modeling. The Gravity Field of Mars

Most people take the constant presence of gravitys pull for granted. However, the Earth's gravitational strength actually varies from location to location. This variation occurs because mass, which influences an object's gravitational pull, is not evenly distributed within the planet. Changes in topography, such as glacial movement, an earthquake, or a rise in the ocean level, can subtly affect the gravity field. An accurate measurement of the Earth's gravity field helps us understand the distribution of mass beneath the surface. This insight can assist us in locating petroleum, mineral deposits, ground water, and other valuable substances. Gravity mapping can also help notice or verify changes in sea surface height and other ocean characteristics. Such changes may indicate climate change from polar ice melting and other phenomena. In addition, gravity mapping can indicate how land moves under the surface after earthquakes and other plate tectonic processes. Finally, changes in the Earth's gravity field might indicate a shift in water distribution that could affect agriculture, water supplies for population centers, and long-term weather prediction. Scientists can map out the Earth's gravity field by watching satellite orbits. When a satellite shifts in vertical position, it might be passing over an area where gravity changes in strength. Gravity is only one factor that may shape a satellite's orbital path. To derive a gravity measurement from satellite movement, scientists must remove other factors that might affect a satellite's position: 1. Drag from atmospheric friction. 2. Pressure from solar radiation as it heads toward Earth and. as it is reflected off the surface of the Earth 3. Gravitational pull from the Sun, the Moon, and other planets in the Solar System. 4. The effect of tides. 5. Relativistic effects. Scientists must also correct for the satellite tracking process. For example, the tracking signal must be corrected for refraction through the atmosphere of the Earth. Supercomputers can calculate the effect of gravity for specific locations in space following a mathematical process known as spherical harmonics, which quantifies the gravity field of a planetary body. The process is based on Laplace's fundamental differential equation of gravity. The accuracy of a spherical harmonic solution is rated by its degree and order. Minute variations in gravity are measured against the geoid, a surface of constant gravity acceleration at mean sea level. The geoid reference gravity model strength includes the central body gravitational attraction (9.8 m/sq s) and a geopotential variation in latitude partially caused by the rotation of the Earth. The rotational effect modifies the shape of the geoid to be more like an ellipsoid, rather than a perfect, circle. Variations of gravity strength from the ellipsoidal reference model are measured in units called milli-Galileos (mGals). One mGal equals 10(exp -5) m/sq s. Research projects have also measured the gravity fields of other planetary bodies, as noted in the user profile that follows. From this information, we may make inferences about our own planet's internal structure and evolution. Moreover, mapping the gravity fields of other planets can help scientists plot the most fuel-efficient course for spacecraft expeditions to those planets.

Lemoine, Frank↗
DOE OSTI2024

Toward Accurate Spin–Orbit Splittings from Relativistic Multireference Electronic Structure Theory

Most nonrelativistic electron correlation methods can be adapted to account for relativistic effects, as long as the relativistic molecular spinor integrals are available, from either a four-, two-, or one-component mean-field calculation. Furthermore, relativistic multireference correlation methods remain a relatively unexplored area, with mixed evidence regarding the improvements brought by perturbative treatments. We report, for the first time, the implementation of state-averaged four-component relativistic multireference perturbation theories to second and third order based on the driven similarity renormalization group (DSRG). With our methods, named 4c-SA-DSRG-MRPT2 and 3, we find that the dynamical correlation included on top of 4c-CASSCF references can significantly improve the spin-orbit splittings in p-block elements and potential energy surfaces when compared to 4c-CASSCF and 4c-CASPT2 results. We further show that 4c-DSRG-MRPT2 and 3 are applicable to these systems over a wide range of the flow parameter, with systematic improvement from second to third order in terms of both improved error statistics and reduced sensitivity with respect to the flow parameter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Luminosity enhancement in relativistic jets and altered luminosity functions for beamed objects

Due to relativistic effects, the observed emission from relativistic jets is quite different from the rest frame emission. Systematic differences between the observed and intrinsic intensities of sources in which jet phenomena are occurring are discussed. Assuming that jets have a power law luminosity function of a slope B, the observed luminosity distribution as a function of the velocity of the jet, the spectral index of the rest frame emission, and the range of angles of the jets relative to our line of sight are calculated. The results is well-approximated by two power laws, the higher luminosity end having the original power law index X and the lower luminosity end having a flattened exponent independent of B and only slightly greater than 1. A model consisting of beamed emission from a jet and unbeamed emission from a stationary central component is investigated. The luminosity functions for these two-component sources are calculated for two ranges of angles. For sources in which beaming is important, the luminosity function is much flatter. Because of this, the relative numbers of ""beamed'' and ""unbeamed'' sources detected on the sky depend strongly on the luminosity at which the comparison is made.

Urry, C. M.↗
NASA NTRS1984

Luminosity enhancement in relativistic jets and altered luminosity functions for beamed objects

Due to relativistic effects, the observed emission from relativistic jets is quite different from the rest frame emission. Systematic differences between the observed and intrinsic intensities of sources in which jet phenomena are occurring are discussed. Assuming that jets have a power law luminosity function of a slope B, the observed luminosity distribution as a function of the velocity of the jet, the spectral index of the rest frame emission, and the range of angles of the jets relative to our line of sight are calculated. The results is well-approximated by two power laws, the higher luminosity end having the original power law index X and the lower luminosity end having a flattened exponent independent of B and only slightly greater than 1. A model consisting of beamed emission from a jet and unbeamed emission from a stationary central component is investigated. The luminosity functions for these two-component sources are calculated for two ranges of angles. For sources in which beaming is important, the luminosity function is much flatter. Because of this, the relative numbers of 'beamed' and 'unbeamed' sources detected on the sky depend strongly on the luminosity at which the comparison is made. Previously announced in STAR as N84-12889

Urry, C. M.↗
DOE OSTI2021

Elimination of the linearization error in APW/LAPW basis set: Dirac-Kohn-Sham equations

Here, a detailed account of the implementation of equations of the relativistic density functional theory (RDFT) using basis sets of APW/LAPW type with flexible extensions provided by local orbitals is given. Earlier discoveries of the importance of the high derivative local orbital (HDLO) extension of the APW/LAPW basis set for enhancing the accuracy of DFT calculations are confirmed using a fully relativistic approach and α – U as an example. High energy local orbitals (HELO's), however indispensable for GW calculations, are considerably less efficient in enhancing the accuracy of DFT applications. It is shown that a simplified approach to the relativistic effects, namely considering them only inside the muffin-tin (MT) spheres, produces basically identical results (as compared to fully relativistic approach) for the electronic free energy of the five materials considered in this work. By comparing the effect of the simplified approach on the electronic free energy with its effect on the electronic kinetic energy we conclude that the insensitivity of the free energy to the way we describe the relativistic effects in the interstitial region is related to the variational property of this quantity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Relativistic wind farm effect: Possibly turbulent flow of a charged, massless relativistic fluid in graphene

At low Reynolds numbers, the wind flow in the wake of a single wind turbine is generally not turbulent. However, turbines in wind farms affect each other's wakes so that a turbulent flow can arise. In the present work, an analog of this effect for the massless charge carrier flow around obstacles in graphene is outlined. We use a relativistic hydrodynamic simulation to analyze the flow in a sample containing impurities. Depending on the density of impurities in the sample, we indeed find evidence for potentially turbulent flow and discuss experimental consequences.

Watson, Mark (ORCID:0000000258959949)↗
NASA NTRS2013

Irradiation of an Accretion Disc by a Jet: General Properties and Implications for Spin Measurements of Black Holes

X-ray irradiation of the accretion disc leads to strong reflection features, which are then broadened and distorted by relativistic effects. We present a detailed, general relativistic approach to model this irradiation for different geometries of the primary X-ray source. These geometries include the standard point source on the rotational axis as well as more jet-like sources, which are radially elongated and accelerating. Incorporating this code in the RELLINE model for relativistic line emission, the line shape for any configuration can be predicted. We study how different irradiation geometries affect the determination of the spin of the black hole. Broad emission lines are produced only for compact irradiating sources situated close to the black hole. This is the only case where the black hole spin can be unambiguously determined. In all other cases the line shape is narrower, which could either be explained by a low spin or an elongated source. We conclude that for those cases and independent of the quality of the data, no unique solution for the spin exists and therefore only a lower limit of the spin value can be given

Accretion Disc↗
NASA NTRS1987

Accurate ab initio calculations which demonstrate a 3Pi(u) ground state for Al2

The computational requirements for accurately describing the spectroscopic constants for all three candidates for the ground state of Al2 are determined. Full CI(FCI) calculations are used to calibrate approximate methods of including the electron correlation. CASSCF/MRCI calculations which accurately reproduce the FCI results in the valence DZ + 2d Gaussian basis are carried to chemical accuracy by using extensive one-particle basis sets. The effect of 2s and 2p correlation and relativistic effects are considered as well as the valence 3s and 3p correlation. Several excited states are also considered. It is shown that the computed vibrational frequency of the (2) 3Pi(g) state and the Franck-Condon factors for the (1) 3Pi(u) - (2) 3Pi(g) transition are consistent with the spectrum obtained by Douglas et al. (1983) and Abe and Kolb (1983). It is therefore concluded that the ground state is 3Pi(u).

Bauschlicher, Charles W., Jr.↗
DOE OSTI2023

Confinement time and ambipolar potential in a relativistic mirror-confined plasma

Advanced aneutronic fusion fuels such as proton-Boron 11 tend to require much higher temperatures than conventional fuels like deuterium–tritium. For electrons, the bulk plasma temperature can approach a substantial fraction of the rest mass. In a mirror confinement system, where the electrons are confined by an ambipolar potential of at least five electron temperatures, the tail electrons which can escape the potential are fully relativistic, which must be taken into account in calculating their confinement. In this paper, simple estimates are employed to extend the scaling of the confinement time into the relativistic regime. By asymptotically matching this scaling to known solutions in the non-relativistic limit, accurate forms for the confinement time (and thus, the ambipolar potential) are obtained. Furthermore, these forms are verified using finite-element-based Fokker–Planck simulations over a wide range of parameters. Comparing relativistic and nonrelativistic mirror-confined plasmas with the same ratio of confining potential |eΦ| to electron temperature T e and the same mirror ratio R, the net result is a decrease in the confinement time due to relativistic effects by a factor of S ≡ (1 + 15T e /8m e c 2 )/(1 + 2|eΦ|/m e c 2 )⁠.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Version 2.0.0 - M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations

M-SPARC is a Matlab code for performing ab initio Kohn–Sham Density Functional Theory simulations. Version 2.0.0 of the software further extends its capability to include relativistic effects, dispersion interactions, and advanced semilocal/nonlocal exchange–correlation functionals. These features significantly increase the fidelity of first principles calculations that can be performed using M-SPARC.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Relativistic timescale analysis suggests lunar theory revision

The SI second of the atomic clock was calibrated to match the Ephemeris Time (ET) second in a mutual four year effort between the National Physical Laboratory (NPL) and the United States Naval Observatory (USNO). The ephemeris time is 'clocked' by observing the elapsed time it takes the Moon to cross two positions (usually occultation of stars relative to a position on Earth) and dividing that time span into the predicted seconds according to the lunar equations of motion. The last revision of the equations of motion was the Improved Lunar Ephemeris (ILE), which was based on E. W. Brown's lunar theory. Brown classically derived the lunar equations from a purely Newtonian gravity with no relativistic compensations. However, ET is very theory dependent and is affected by relativity, which was not included in the ILE. To investigate the relativistic effects, a new, noninertial metric for a gravitated, translationally accelerated and rotating reference frame has three sets of contributions, namely (1) Earth's velocity, (2) the static solar gravity field and (3) the centripetal acceleration from Earth's orbit. This last term can be characterized as a pseudogravitational acceleration. This metric predicts a time dilation calculated to be -0.787481 seconds in one year. The effect of this dilation would make the ET timescale run slower than had been originally determined. Interestingly, this value is within 2 percent of the average leap second insertion rate, which is the result of the divergence between International Atomic Time (TAI) and Earth's rotational time called Universal Time (UT or UTI). Because the predictions themselves are significant, regardless of the comparison to TAI and UT, the authors will be rederiving the lunar ephemeris model in the manner of Brown with the relativistic time dilation effects from the new metric to determine a revised, relativistic ephemeris timescale that could be used to determine UT free of leap second adjustments.

Deines, Steven D.↗
DOE OSTI2020

Relativistic and correlation effects in the photoionization dynamics of oganesson ( Z = 118): Spin-orbit-interaction-activated interchannel coupling effects

High-Z atoms are excellent laboratories to study the combination of relativistic and many-electron correlation effects in electronic structure and dynamics. In the present work, the relativistic-random-phase approximation at different levels of truncation is employed to explore the final-state correlation effects in the photoelectron dynamics of the heaviest known element in the Periodic Table: oganesson (Og) with Z = 118. Here, the focus of this work is to illustrate the relativistic effects resulting from coupling different photoionization channels arising from spin-orbit split subshells, termed the spin-orbit-interaction-activated interchannel coupling effect. Comparison with the photoelectron dynamics of Rn on a qualitative level is also carried out, since Og is a homologue of Rn. The photoelectron dynamics of 7p, 7s, and 6d subshells are investigated and differences between Og and Rn, due to enhanced relativistic effects, are investigated.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1980

Relativistic K-shell Auger rates, level widths, and fluorescence yields

Systematic relativistic (Dirac-Hartree-Slater) calculations of atomic K-shell Auger transition probabilities are reported for 25 elements with Z between 18 and 96, inclusive. K-level Auger widths are found to be enhanced by relativistic effects, while total K-level widths are reduced. Relativistic theoretical K-shell fluorescence yields are in excellent agreement with experiment. Theoretical relative intensities of K-LX Auger transitions in heavy elements, calculated in j-j coupling, agree well with measurements; for low Z, configuration interaction and intermediate coupling must apparently be included.

Chen, M. H.↗
NASA NTRS1994

Accretion disks around black holes

The physics of accretion flow very close to a black hole is dominated by several general relativistic effects. It cannot be described by the standard Shakura Sunyaev model or by its relativistic version developed by Novikov and Thome. The most important of these effects is a dynamical mass loss from the inner edge of the disk (Roche lobe overflow). The relativistic Roche lobe overflow induces a strong advective cooling, which is sufficient to stabilize local, axially symmetric thermal and viscous modes. It also stabilizes the non-axially-symmetric global modes discovered by Papaloizou and Pringle. The Roche lobe overflow, however, destabilizes sufficiently self-gravitating accretion disks with respect to a catastrophic runaway of mass due to minute changes of the gravitational field induced by the changes in the mass and angular momentum of the central black hole. One of the two acoustic modes may become trapped near the inner edge of the disk. All these effects, absent in the standard model, have dramatic implications for time-dependent behavior of the accretion disks around black holes.

Abramowicz, M. A.↗
DOE OSTI2024

Unveiling Hidden Shake-Up Features in the Uranyl M 4 -Edge Spectrum

The M 4,5 -edge high energy resolution X-ray absorption near-edge structure (HR-XANES) spectra of actinyls offer valuable insights into the electronic structure and bonding properties of heavy-element complexes. To conduct a comprehensive spectral analysis, it is essential to employ computational methods that accurately account for relativistic effects and electron correlation. In this work, we utilize variational relativistic multireference configurational interaction methods to compute and analyze the X-ray M 4 -edge absorption spectrum of uranyl. By employing these advanced computational techniques, we achieve excellent agreement between the calculated spectral features and experimental observations. Moreover, the calculations unveil significant shake-up features, which arise from the intricate interplay between strongly correlated 3d core-electron and ligand excitations. This research provides important theoretical insights into the spectral characteristics of heavy-element complexes. Furthermore, it establishes the foundation for utilizing M 4,5 -edge spectroscopy as a means to investigate the chemical activities of such complexes. By leveraging this technique, we can gain a deeper understanding of the bonding behavior and reactivity of heavy-element compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A Thorough Characterization of the Tellurocyanate Anion

Tellurocyanate, [TeCN] − , is the heaviest group 16 congener of the cyanate anion, [OCN] − . Due to the relative instability of the C─Te bond, tellurocyanate chemistry has seen only scarce attention. Here, we present the facile synthesis and thorough characterization of [K@crypt-222][TeCN]. The anion is essentially linear with interatomic distances C─N = 1.150(6)Å and C─Te = 2.051(4)Å, thus approximating a C≡N triple bond and for C─Te a bond order between 1 and 2. Fully 13 C and 15 N labeled [Te 13 C 15 N] − allowed for the extraction of chemical shifts and all possible coupling constants ( 13 C = 77.8 ppm, 15 N = 285.7 ppm, 125 Te = −566 ppm, 1 J 13C-15N = 8 Hz, 1 J 13C-125Te = 748 Hz, 2 J1 5N-125Te = 55 Hz), which were also determined independently by quantum chemical calculations. In the series [ChCN] − (Ch = O─Te), [TeCN] − shows the strongest spin-orbit coupling (SOC) induced heavy-atom effect on the light-atom shielding (SO-HALA-effect). In contrast, 15 N shifts are also well described without considering relativistic effects and/or SOC. Negative-ion photoelectron spectroscopy was used to extract the electron affinity (EA = 3.034 eV) and spin-orbit splitting (3807 cm −1 ) of [TeCN] • . These values continue the trends of falling EA and rising SOC in the series [ChCN] • .

Bonding analysis↗
NASA NTRS1997

Spectral and Temporal Properties of Galactic Black Hole Systems

Kusunose, Mineshige & Yamada (1996; hereafter KMY) extended the model of Kusunose & Mineshige (1995) to the Galactic black hole candidates by considering nonthermal electron injection with gamma(EQ\0(,\s\up2(less than),\s\do-l(_))) 10. The effects of pair escape and advection on the disk structure and general relativistic effects on the emission spectrum were also examined. They found that the energy spectral index (alpha)(sub x) of the power law X-rays is about-0.8 and-2.0 when 1(sub soft)/1 = 0.2 and 2, respectively, where 1(sub soft)/1 is the ratio of the compactness of the injected soft photons to that of the gravitational energy. The power law index was found to be nearly independent of the mass accretion which is consistent with the observed luminosity independence. The model with small 1(sub soft)/1 (less than 1) shows promise for explaining the low state observed in Galactic black hole candidates. Model fits were provided for GX339-4 and Cyg X- 1 data from COMPTEL and OSSE on the Compton Gamma Ray Observatory. The difference in emission spectra between thermal disks and the model of KMY appears only in the energy range greater than 100 keV. Li, Kusunose and Liang (1996) studied stochastic particle acceleration to produce nonthermal particle distributions which then were used in the model of Kusunose & Mineshige (1995) to model the spectrum above 1 Mev from GBHC's. Under certain conditions, stochastic electron acceleration overcame Coulomb and Compton losses resulting in a suprathermal electron population. Good fits were obtained by COMPTEL and OSSE observations of Cyg X-1 and GRO J0422+23. Kusunose & Mineshige (1996a) examined the role of electron-positron pairs in advection-dominated disks. They found that the results for advection-dominated disks without pairs are not qualitatively changed by including pairs. Summaries of work sponsored by this grant are given in Wheeler, Kim, Moscoso, Kusunose & Mineshige (1996) and Kusunose (1996) Work was also done on developing a model for an e(+-) pair wind from the inner disk region of a black hole. The model consists of three zones: a pair production/annihilation zone at the base of the wind, a pair annihilation zone slightly further out from the disk and a wind zone extending to infinity where no annihilation occurs. The model assumes an input X-ray / gamma-ray power-law spectrum as a function of photon energy and angular distribution. Pairs are created in the pair production/annihilation zone via photon-photon, photonparticle and particle-particle collisions. The bulk velocity of the pairs is obtained from the momentum component perpendicular to the disk taking into account the radiation pressure acceleration of the pairs. Energy balance in the pair production/annihilation zone is calculated by assuming that the momentum component parallel to the disk is thermalized and by taking into account heating/cooling via anisotropic thermal Compton scattering along with the cooling processes of bremsstrahlung and synchrotron radiation. The pair density is also calculated. The outer boundary of the pair production/annihilation zone is where the optical depth for photon-photon pair produciton is unity. Beyond this point only pair annihilation will occur in the pair annihilation zone. When the pair density becomes small, pair annihilation will be negligible and the pairs will flow freely to infinity. In this model we have found that the X-ray power-law spectral index, alpha(sub x) is the primary parameter which determines the density, temperature and velocity of the pair production/annihilation zone (Moscoso, Kusunose & Wheeler 1996).

Wheeler, J. Craig↗