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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 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↗

NASA NTRS1994

The Low-Lying States of AlCu and AlAg

The singlet and triplet states of AlCu and AlAg below about 32 000/cm are studied using the internally contracted multireference configuration-interaction method. A more elaborate study of the X(sup 1)Sum(sup +) ground state of AlCu is undertaken using extended Gaussian basis sets, including the effect of inner-shell correlation and including a perturbational estimate of relativistic effects. Our best estimate of the spectroscopic constants (r(sub 0), DeltaG(sub 1/2), and D(sub 0)) for the X(sup 1)Sum(sup+) state with the experimental values in parentheses are: 4.416(4.420) a(sub 0), 295 (294) /cm, and 2.318 (2.315) eV. The calculations definitively assign the upper state in the observed transition at 14 892/cm to the lowest (sup 1)Prod state. The calculated spectroscopic constants and radiative lifetime for the (sup 1)Prod state are in good agreement with experiment. The calculations support the tentative assignments of Behm et al. for three band systems observed in the visible region between 25 000 and 28 000 / cm. However, the computed spectroscopic constants are in very poor agreement with those deduced from an analysis of the spectra. Analogous theoretical results for AlAg suggest that the (2)(sup 3)Prod, (3)(sup 3)Prod, and (3)(sup 1)Sum(sup +) states account for the bands observed, but not assigned, by Duncan and co-workers.

Bauschlicher, Charles W., Jr.↗

NASA NTRS1983

Quasi-relativistic electron precipitation due to interactions with coherent VLF waves in the magnetosphere

The equations of motion for the cyclotron resonance interaction between coherent whistler mode waves and energetic particles are rederived with the inclusion of relativistic effects. The pitch angle scattering of the near-loss-cone quasi-relativistic electrons trapped in the magnetosphere is studied using a test particle method employing these relativistic equations, and the precipitated energy spectrum due to the wave-induced perturbations of a full distribution of particles is computed. Results show that the full width at half maximum peak width of the rms scattering pattern of the near-loss-cone particles would give an upper bound to the peak width of the associated precipitated energy spectrum under the conditions of moderate wave intensities in the low L shell region. In addition, it is found that the peak widths are within the upper limit values measured by recent satellite experiments. It is concluded that interactions of inner radiation belt particles with monochromatic waves could produce precipitated fluxes with relatively sharp spectral widths, and that therefore the L-dependent narrow peaks observed by low altitude satellite particle detectors could be caused by such interactions.

Chang, H. C.↗

NASA NTRS1991

Gamma-ray lines from type I supernovae

Analytic calculations are made of the time-dependent fluxes, shapes, median energies, and effective widths of the gamma-ray lines expected from the decay of nucleosynthetic Ni-56, Co-56, Fe-56, and Co-57 in current models of type I SNe. The attenuation and distortion of the line shapes due to Compton scattering and photoelectric absorption in the SN ejecta, line broadening from the expansion, and further distortion by the lookback effect from the differential light-travel time across the SN and by special relativistic effects are all taken into account. It is shown that several gamma-ray lines from such SNe should be measurable by detectors on the Gamma Ray Observatory and by the high-resolution spectrometer on the proposed Nuclear Astrophysics Explorer. The most intense and most detectable lines are the 0.847 and 1.238 MeV lines from Co-56 decay. Five other Co-56 decay lines, as well as the 0.158 MeV line from Ni-56 decay, should also be measurable. The models which can be tested by such observations are pointed out.

Chan, Kai Wing↗

NASA NTRS2006

Electron Impact Excitation of Forbidden and Allowed Transitions in O(II)

The B-spline R-matrix method is used to investigate the electron impact excitation of forbidden and allowed transitions in singly ionized oxygen. The relativistic effects have been incorporated in the Breit-Pauli Hamiltonian. Flexible non-orthogonal sets of radial functions are used to obtain accurate target description and to represent the scattering functions. The 47 fine-structure levels of the 2s(sup 2)2p(sup 3), 2s2p(sup 4), 2s(sup 2)2p(sup 2)3s, 2s(sup 2)2p(sup 2)3p and 2s(sup 2)2p(sup 2)3d configurations have been included in the scattering calculation. A calculation with 62 levels in the close-coupling expansion using the Breit-Pauli R-matrix (BPRM) method with orthogonal radial functions has also been carried out to check electron correlation, relativistic and channel coupling effects. The present results are in good agreement with the previous 16-level BPRM calculation by Montenegro et a1 (2006 J. Phys. B: At. Mol. Opt. Phys. 39 1863-77) for the forbidden transitions, but differ from the 21-level BPRM calculation by McLaughlin and Bell (1998 J. Phys. B: At. Mol. Opt. Phys. 31 4317-29). Our cross sections for the first forbidden (sup 4)S(sup o)-(sup 2)D(sup o)and resonance (sup 4)S(sup o)-2s(sup 2)p(sup 4) (sup 4)P transitions are in reasonably good agreement with the electron energy-loss and merged-beams experiment.

Tayal, S. S.↗

NASA NTRS1984

Relativistic dispersion, the cyclotron maser instability, and auroral kilometric radiation

It is demonstrated that relativistic effects can significantly modify the wave dispersion in auroral kilometric radiation (AKR), even for only mildly relativistic electrons, when the ratio of the square of the electron plasma frequeny omega(pe) to the square of the electron cyclotron frequency Omega(e) is much less than one, which is frequently the case in the AKR source region. The k-parallel dispersion relation for waves in a relativistic Maxwellian plasma is considered for the case of omega(pe) much less than Omega(e). The results of Shkarovsky (1966) are used to evaluate the relativistic corrections to the R-X mode cutoff. The general relativistic dispersion tensor is applied to evaluate the dispersion relation for a delta function ring distribution in p-perpendicular, again assuming omega(pe) much less than Omega(e). The effect of finite velocity spread is studied by analyzing the Dory-Guest-Harris distribution in the semirelativistic approximation. The results of computer simulations for ring and shell distributions are presented.

Pritchett, P. L.↗

NASA NTRS2021

Refined Mass and Geometric Measurements of the High-mass PSR J0740+6620

We report results from continued timing observations of PSR J0740+6620, a high-mass, 2.8 ms radio pulsar in orbit with a likely ultracool white dwarf companion. Our data set consists of combined pulse arrival-time measurements made with the 100 m Green Bank Telescope and the Canadian Hydrogen Intensity Mapping Experiment telescope. We explore the significance of timing-based phenomena arising from general relativistic dynamics and variations in pulse dispersion. When using various statistical methods, we find that combining∼1.5 yr of additional, high-cadence timing data with previous measurements confirms and improves on previous estimates of relativistic effects within the PSR J0740+6620 system, with the pulsar mass=-+mM2.08p0.070.07 M (68.3% credibility) determined by the relativistic Shapiro time delay. For the first time, we measure secular variation in the orbital period and argue that this effect arises from apparent acceleration due to significant transverse motion. After incorporating contributions from Galactic differential rotation and off-plane acceleration in the Galactic potential, we obtain a model-dependent distance of=-+d1.140.150.17kpc (68.3% credibility). This improved distance confirms the ultracool nature of the white dwarf companion determined from recent optical observations. We discuss the prospects for future observations with next-generation facilities, which will likely improve the precision on mp for J0740+6620 by an order of magnitude within the next few years

Neutron stars↗

DOE OSTI2026

Gaunt and Breit two-electron contributions to mean-field transformations and fine structure splitting

Materials utilized by novel energy systems are often studied using weakly correlated mean-field theories. However, if these systems incorporate heavy elements, relativistic effects must be included. Therefore, a Kramers unrestricted coupled cluster with singles and doubles excitation formalism within a molecular mean-field exact two-component framework (X2C mmf ) using a four-component Dirac–Hartree–Fock (DHF) reference state is presented. The exact X2C mmf transformed normal-order Hamiltonian incorporates all one-electron and two-electron (2e) contributions from the Coulomb, Gaunt, and Breit operators and is used with the equation of motion method to calculate the excitation energies of the alkali group of elements. Using this framework, the effects of 2e Gaunt and Breit integrals are studied. Results demonstrate growing contributions from these integrals to the generated X2C mmf mean-fields and electronic fine structure calculations with increasing atomic number. Overall, this paper outlines the method, its effect within the X2C mmf approach, and lays the foundation for future theoretical development of relativistic calculations within this framework.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1999

The Atomization Energy of Mg4

The atomization energy of Mg4 is determined using the MP2 and CCSD(T) levels of theory. Basis set incompleteness, basis set extrapolation, and core-valence effects are discussed. Our best atomization energy, including the zero-point energy and scalar relativistic effects, is 24.6+/-1.6 kcal per mol. Our computed and extrapolated values are compared with previous results, where it is observed that our extrapolated MP2 value is good agreement with the MP2-R12 value. The CCSD(T) and MP2 core effects are found to have the opposite signs.

Bauschlicher, Charles W., Jr.↗

NASA NTRS1993

Effect of radiation forces on disk accretion by weakly magnetic neutron stars

Radiation forces are shown to be more important than general relativistic corrections to Newtonian gravitational forces in determining the motion of particles accreting onto a slowly rotating neutron star if the luminosity of the star is greater than about 1 percent of the Eddington critical luminosity (ECL). This is so even if the radius of the star is less than the radius of the innermost stable orbit. In particular, radiation drag causes matter accreting from a disk to lose angular momentum and spiral inward. At luminosities greater than about 0.2 ECL, a substantial fraction of the accreting matter can transfer most of its angular momentum and gravitational binding energy to the radiation field before reaching the stellar surface. These results have important implications for the X-ray spectra, time variability, and spin evolution of neutron stars with very weak magnetic fields and the prospects for detecting general relativistic effects near such stars.

Miller, M. C.↗

DOE OSTI2025

Weak decays in superheavy nuclei

Superheavy nuclei represent the extreme atoms and nuclides known at the limit of mass and charge. The observed superheavy nuclei are all proton-rich; they decay primarily by emitting 𝛼 particles and by fission with a possible small electron capture (EC) branch. Here, due to the huge atomic numbers and associated relativistic effects, EC decays of superheavy systems are expected to differ from what is known in lighter nuclei. In this letter, using the quantified relativistic nuclear density functional theory and the quasiparticle random-phase approximation with the interaction optimized to experimental EC/𝛽 ± -decay half-lives, and Gamow-Teller resonance energies, we study the EC/𝛽 ± -decays in 𝑍=101–118 nuclei. Both allowed (1 + ) and first-forbidden (0 − ,1 − and 2 − ) transitions are considered. We show that the first-forbidden 1 − transitions dominate the decay rates in almost all studied nuclei. For proton-rich nuclei, EC dominates over 𝛽 + decay. Based on calculations with two relativistic energy density functionals, we identify 45 candidate nuclei in which a competition between weak decays and 𝛼 decay and spontaneous fission is expected.

A ≥ 220↗

DOE OSTI2025

Ionization of Free and Confined Atoms and Ions (Final Technical Report)

Over the almost 22-year duration of this theoretical research project, a great deal of progress has been made in the understanding of the ionization of free and confined atomic and molecular systems along with a recent particular emphasis upon studies of the ultrafast time-delay phenomenon in the photoemission process. Our methods have emphasized the role of many-body interactions and relativistic effects in the various processes we have studied. The advances that we have made over the course of this project have been in the areas nondipole effects in the photoionization process, inner-shell photoemission from negative atomic ions, excited state photoionization of neutral atoms and positive atomic ions, Cooper minima in quadrupole photoionization, relativistic interaction in the photoionization of atoms and negative atomic ions, photoionization of the fullerene molecule C 60 along with the photoionization of atomic and molecular systems confined in the C 60 molecule, confinement resonances in endohedral atom photoemission, interchannel coupling effects in photoionization, Wigner time delay in free and confined atoms and ions, angular effects in Wigner time delay in atomic photoionization, photoionization of superheavy atoms and the influence of core relaxation on the photoionization of atomic systems, among others. In the course of this project, we have had extensive collaboration with experimentalists where we have explained the physics of numerous measurements and pointed the way to new laboratory investigations with our calculations. We have also collaborated with a number of theorists as well. Thus, owing to these many collaborations with scientists not funded by DOE, we have leveraged the DOE support rather considerably. To illustrate the depth and breadth of the theoretical investigations, listed below are the 138 refereed and invited publications that cite DOE support. These publications detail the many contributions made over the period of this project.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

Effective Action for Relativistic Hydrodynamics from the Crooks Fluctuation Theorem

A new effective theory framework for fluctuating hydrodynamics in the relativistic regime is derived using standard thermodynamical principles and general properties of nonequilibrium stochastic dynamics. For the first time, we establish clear and concise conditions for ensuring that the resulting effective theories are causal, stable, and well-posed within general relativity. Here, these properties are independent of spacetime foliation and are valid in the full nonlinear regime. Out-of-equilibrium fluctuations are constrained by a relativistically covariant version of the Crooks fluctuation theorem, which determines how the entropy production is distributed even when the system is driven by an external force. This leads to an emerging Z 2 symmetry responsible for imposing fluctuation-dissipation relations for n-point correlation functions, which matches the standard constraints for the Schwinger-Keldysh effective action.

Fluctuation theorems↗

NASA NTRS2016

On the Evolution of the Inner Disk Radius with Flux in the Neutron Star Low-mass X-Ray Binary Serpens X-1

We analyze the latest Suzaku observation of the bright neutron star (NS) low-mass X-ray binary Serpens X-1 taken in 2013 October and 2014 April. The observation was taken using the burst mode and only suffered mild pile-up effects. A broad iron line is clearly detected in the X-ray spectrum. We test different models and find that the iron line is asymmetric and best interpreted by relativistic reflection. The relativistically broadened iron line is generally believed to originate from the innermost regions of the accretion disk, where strong gravity causes a series of special and general relativistic effects. The iron line profile indicates an inner radius of approx. 8 R(sub G), which gives an upper limit on the size of the NS. The asymmetric iron line has been observed in a number of previous observations, which gives several inner radius measurements at different flux states. We find that the inner radius of Serpens X-1 does not evolve significantly over the range of L/L(sub Edd) approx. 0.4-0.6, and the lack of flux dependence of the inner radius implies that the accretion disk may be truncated outside of the innermost stable circular orbit by the boundary layer, rather than the stellar magnetic field.

accretion disks↗

NASA NTRS1986

Shell correction for the stopping power of K electrons

In view of the inapplicability of the asymptotic expressions for the stopping number available in the literature at high energies, an alternative approach is taken to compute the shell correction to the stopping number of K electrons. Anholt's formula for the K-shell ionization has been used to calculate the excitation function for longitudinal interaction and numerical integration over energy has been carried out to evaluate the shell correction. Comparison with other theoretical calculations is made. It is proposed that, with the inclusion of relativistic effects, an asymptotic expansion of the stopping number with a leading-term logarithmic in the energy of the incident particle would be more meaningful and might enable one to extract the relativistic contribution to the shell correction from it.

Leung, P. T.↗

DOE OSTI2025

Effects of Quark Core Sizes of Baryons in Neutron Star Matter

We describe the quark substructure of hadrons and the equation of state of high-density neutron star matter by using the Nambu–Jona-Lasinio (NJL) model, which is an effective quark theory based on QCD. The interaction between quarks fully respects the chiral and flavor symmetries. Guided by the success of various low-energy theorems, we assume that the explicit breaking of these symmetries occurs only via the current quark masses, and all other symmetry breakings are of dynamical nature. In order to take into account the effects of the finite quark core sizes of the baryons on the equation of state, we make use of an excluded volume framework that respects thermodynamic consistency. The effects generated by the swelling quark cores generally act repulsively and lead to an increase in the pressure with increasing baryon density. On the other hand, in neutron star matter, these effects also lead to a decrease in the density window where hyperons appear because it becomes energetically more favorable to convert the faster moving nucleons into hyperons. Our quantitative analysis shows that the net effect of the excluded volume is too small to solve the long-standing “hyperon puzzle”, which is posed by the large observed masses of neutron stars. Thus, the puzzle persists in a relativistic effective quark theory which takes into account the short-range repulsion between baryons caused by their finite and swelling quark core sizes in a phenomenological way.

79 ASTRONOMY AND ASTROPHYSICS↗