Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “quantum shells”

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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Quantum mechanical signature in exclusive coherent pion production

We calculate the coherent production of pions from subthreshold to relativistic energies in heavy-ion collisions using a quantum, microscopic, many-body model. For the first time, in this approach, we use harmonic oscillator wave functions to describe shell-model information. The theoretical quantum mechanical results obtained for the pion spectra represent an important improvement over our previous microscopic, many-body calculations.

NASA Discipline Radiation Health↗
NASA NTRS2001

Integration of the QMSFRG Database into the HZETRN Code

Accurate nuclear interaction data bases are needed for describing the transport of space radiation in matter including space craft structures, atmospheres, and tissues. Transport models support the identification and development of new material concepts for human and electronic part protection. Quantum effects are manifested in nuclear reactions in several ways including interference effects between terms in the multiple scattering series, the many-body nuclear wave functions (for e.g. the roles of shell structure and Fermi momentum) and nuclear clustering. The quantum multiple scattering fragmentation model (QMSFRG) is a comprehensive model for generating nuclear interaction databases for galactic cosmic ray (GCR) transport. Other nuclear databases including the NUCFRG model and Monte-Carlo simulation codes such as FLUKA, LAHET, HETC, and GEANT ignore quantum effects. These codes fail to describe many important features of nuclear reactions and are thus inaccurate for the evaluation of materials for radiation protection. Previously we have shown that quantum effects are manifested through constructive interference in forward production spectra, the effects of Fermi momentum on production spectra, cluster nuclei knockout, and the nuclear response function. Quantum effects are especially important for heavy ions with mass numbers less than 20 that dominate radiation transport in human tissues and for the materials that are expected to be superior in space radiation protection. We describe the integration of the QMSFRG model into the HZETRN transport code. Integration milestones include proper treatment of odd-even charge-mass effects in nuclear fragmentation and the momentum distribution of nucleon production from GCR primary heavy ions. We have also modified the two-body amplitudes in the model to include nuclear medium effects. In order to include a comprehensive description of the GCR isotopic composition in materials, we have described the isotopic composition of the GCR by extending the 59-isotope version of HZETRN to an 120-isotope version. The isotopic composition of most primary GCR elements (including H, He, C, N, O, Ne, Mg, Si, Ar, Ca, Cr, and Fe) are included in the extended model. We discuss results for the high-energy neutron composition inside materials, and the charge and mass distribution for benchmark GCR problems.

Cucinotta, F. A.↗
NASA NTRS2020

Observation of Strong Two-Electron-One-Photon Transitions in Few-Electron Ions

We resonantly excite the K series of O5+ and O6+ up to principal quantum number n = 11 with monochromatic x rays, producing K-shell holes, and observe their relaxation by soft-x-ray emission. Some photoabsorption resonances of O5+ reveal strong two-electron–one-photon (TEOP) transitions. We find that for the [(1s2s)15p3/2]3/2;1/2 states, TEOP relaxation is by far stronger than the radiative decay and competes with the usually much faster Auger decay path. This enhanced TEOP decay arises from a strong correlation with the near-degenerate upper states [(1s2p3/2 )14s]3/2;1/2 of a Li-like satellite blend of the He-like Kα transition. Even in three-electron systems, TEOP transitions can play a dominant role, and the present results should guide further research on the ubiquitous and abundant many-electron ions where electronic energy degeneracies are far more common and configuration mixing is stronger.

M Togawa↗
NASA NTRS2016

Laboratory Measurements of the K-Shell Transition Energies in L-Shell Ions of Si and S

We have measured the energies of the strongest 1s-2 ℓ (azimuthal quantum number) (ℓ = s, p (s, p are angular momentum states)) transitions in He- through Ne-like silicon and sulfur ions to an accuracy of less than 1 electronvolt using the Lawrence Livermore National Laboratory's electron beam ion traps, EBIT-I and SuperEBIT, and the NASA/GSFC EBIT Calorimeter Spectrometer (ECS). We identify and measure the energies of 18 and 21 X-ray features from silicon and sulfur, respectively. The results are compared to new Flexible Atomic Code calculations and to semi-relativistic Hartree-Fock calculations by Palmeri et al. (2008). These results will be especially useful for wind diagnostics in high-mass X-ray binaries, such as Vela X-1 and Cygnus X-1, where high-resolution spectral measurements using Chandraʼs high-energy transmission grating has made it possible to measure Doppler shifts of 100 kilometers per second. The accuracy of our measurements is consistent with that needed to analyze Chandra observations, exceeding Chandraʼs 100 kilometers per second limit. Hence, the results presented here not only provide benchmarks for theory, but also accurate rest energies that can be used to determine the bulk motion of material in astrophysical sources. We show the usefulness of our results by applying them to redetermine Doppler shifts from Chandra observations of Vela X-1.

atomic data↗
NASA NTRS1984

Atomic inner-shell transitions

Atomic inner-shell processes have quite different characteristics, in several important aspects, from processes in the optical regime. Energies are large, e.g., the 1s binding energy reaches 100 keV at Z = 87; relativistic and quantum-electrodynamic effects therefore are strong. Radiationless transitions vastly dominate over photon emission in most cases. Isolated inner-shell vacancies have pronounced single-particle character, with correlations generally contributing only approximately 1 eV to the 1s and 2p binding energies; the structure of such systems is thus well tractable by independent-particle self-consistent-field atomic models. For systems containing multiple deep inner-shell vacancies, or for highly stripped ions, the importance of relativistic intermediate coupling and configuration interaction becomes pronounced. Cancellation of the Coulomb interaction can lead to strong manifestations of the Breit interaction in such phenomena as multiplet splitting and hypersatellite X-ray shifts. Unique opportunities arise for the test of theory.

Crasemann, B.↗
NASA NTRS2018

Temperature Structure in the Perseus Cluster Core Observed with Hitomi

The present paper investigates the temperature structure of the X-ray emitting plasma in the core of the Perseus cluster using the 1.8-20.0 keV data obtained with the Soft X-ray Spectrometer (SXS) onboard the Hitomi Observatory. A series of four observations were carried out, with a total effective exposure time of 338 ks and covering a central region _ 7′ in diameter. The SXS was operated with an energy resolution of _5 eV (full width at half maximum) at 5.9 keV. Not only fine structures of K-shell lines in He-like ions but also transitions from higher principal quantum numbers are clearly resolved from Si through Fe. This enables us to perform temperature diagnostics using the line ratios of Si, S, Ar, Ca, and Fe, and to provide the first direct measurement of the excitation temperature and ionization temperature in the Perseus cluster. The observed spectrum is roughly reproduced by a single temperature thermal plasma model in collisional ionization equilibrium, but detailed line ratio diagnostics reveal slight deviations from this approximation. In particular, the data exhibit an apparent trend of increasing ionization temperature with increasing atomic mass, as well as small differences between the ionization and excitation temperatures for Fe, the only element for which both temperatures can be measured. The best-fit two-temperature models suggest a combination of 3 and 5 keV gas, which is consistent with the idea that the observed small deviations from a single temperature approximation are due to the effects of projection of the known radial temperature gradient in the cluster core along the line of sight. Comparison with the Chandra/ACIS and the XMM-Newton/RGS results on the other hand suggests that additional lower-temperature components

Aharonian, Felix↗
NASA NTRS1995

HZETRN: Description of a free-space ion and nucleon transport and shielding computer program

The high-charge-and energy (HZE) transport computer program HZETRN is developed to address the problems of free-space radiation transport and shielding. The HZETRN program is intended specifically for the design engineer who is interested in obtaining fast and accurate dosimetric information for the design and construction of space modules and devices. The program is based on a one-dimensional space-marching formulation of the Boltzmann transport equation with a straight-ahead approximation. The effect of the long-range Coulomb force and electron interaction is treated as a continuous slowing-down process. Atomic (electronic) stopping power coefficients with energies above a few A MeV are calculated by using Bethe's theory including Bragg's rule, Ziegler's shell corrections, and effective charge. Nuclear absorption cross sections are obtained from fits to quantum calculations and total cross sections are obtained with a Ramsauer formalism. Nuclear fragmentation cross sections are calculated with a semiempirical abrasion-ablation fragmentation model. The relation of the final computer code to the Boltzmann equation is discussed in the context of simplifying assumptions. A detailed description of the flow of the computer code, input requirements, sample output, and compatibility requirements for non-VAX platforms are provided.

Wilson, John W.↗
NASA NTRS2006

Ab initio Quantum Chemical Studies of Reactions in Astrophysical Ices. Reactions Involving CH3OH, CO2, CO, HNCO in H2CO/NH3/H2O Ices

While reactions between closed shell molecules generally involve prohibitive barriers in the gas phase, prior experimental and theoretical studies have demonstrated that some of these reactions are significantly enhanced when confined within an icy grain mantle and can occur efficiently at temperatures below 100 K with no additional energy processing. The archetypal case is the reaction of formaldehyde (H2CO) and ammonia (NH3) to yield hydroxymethylamine (NH2CH2OH). In the present work we have characterized reactions involving methanol (CH3OH), carbon dioxide (CO2), carbon monoxide (CO), and isocyanic acid (HNCO) in search of other favorable cases. Most of the emphasis is on CH3OH, which was investigated in the two-body reaction with one H2CO and the three-body reaction with two H2CO molecules. The addition of a second H2CO to the product of the reaction between CH3OH and H2CO was also considered as an alternative route to longer polyoxymethylene polymers of the -CH2O- form. The reaction between HNCO and NH3 was studied to determine if it can compete against the barrierless charge transfer process that yields OCN(-) and NH4(+). Finally, the H2CO + NH3 reaction was revisited with additional benchmark calculations that confirm that little or no barrier is present when it occurs in ice.

Woon, David E.↗
NASA NTRS1967

An improved soft X-ray photoionization detector

Photoionization detector with an alumina shell, a beryllium foil window, and a xenon gas fill measures small incident photon fluxes from soft X rays. It has high spectral selectivity and quantum efficiencies, and a long shelf life. It minimizes electrical leakage and recontamination, and will hold a high vacuum.

Stober, A. K.↗
NASA NTRS1993

Tungsten hexahydride (WH6) - An equilibrium geometry far from octahedral

Ab initio all-electron quantum mechanical studies of the tungsten hexahydride molecule WH6 are reported. The results suggest that the ground state of WH6 molecule is a closed-shell triangular prism belonging to the C(3v) point group, with a set of three hydrogens stacked on top of another set of three hydrogens. The octahedral structure lies 130 kcal/mole above the C(3v) ground state, a remarkable result in inorganic chemistry. Another C(3v) structure, with one set of three hydrogens staggered with respect to the other set, is energetically nearby.

Shen, Mingzuo↗
NASA NTRS1980

Effects of angular-momentum-changing collisions on dielectronic satellite spectra

A generalization of the low-density corona-model theory of the intensities of satellite lines of the resonance lines emitted by multiply charged helium-like ions in the X-ray spectra of high-temperature plasmas is developed in order to take account of electron collisional transitions between close autoionizing levels. A formalism for determining the population densities of the autoionizing levels and the satellite line intensities is presented, and the quantum mechanical calculation of autoionization, radiative decay and electron-induced collisional transitions is discussed. Generalized emission rate coefficients corresponding to dielectronic recombination and inner-shell-electron collisional excitation are tabulated as functions of electron density and temperature. The procedure is then used to illustrate the effects of angular-momentum-changing electron collisions on the intensities of the satellites of the 1s2p 1P to 1s2 1S resonance line of the ions Al XII and Si XIII. It is concluded that the collisional transitions have their most significant effect on the intensities of satellite transitions from metastable autoionizing states, which may be useful in determining plasma densities.

Jacobs, V. L.↗
NASA NTRS2017

The STAR-X X-Ray Telescope Assembly (XTA)

The Survey and Time-domain Astrophysical Research eXplorer (STAR-X) science goals are to discover what powers the most violent explosions in the Universe, understand how black holes grow across cosmic time and mass scale, and measure how structure formation heats the majority of baryons in the Universe. To achieve these goals, STAR-X requires a powerful X-ray telescope with a large field of view, large collecting area, and excellent point spread function. The STAR-X instrument, the X-Ray Telescope Assembly (XTA), meets these requirements using a powerful X-ray mirror technology based on precision-polished single crystal silicon and a mature CCD detector technology. The XTA is composed of three major subsystems: an X-ray Mirror Assembly (MA) of high resolution, lightweight mirror segments fabricated out of single crystal silicon; a Focal Plane Assembly (FPA) made of back-illuminated CCD's capable of detecting X-rays with excellent quantum efficiency; and a composite Telescope Tube that structurally links the MA and FPA. The MA consists of 5,972 silicon mirror segments mounted into five subassemblies called meta-shells. A meta-shell is constructed from an annular central structural shell covered with interlocking layers of mirror segments. This paper describes the requirements, design, and analysis of the XTA subsystems with particular focus on the MA.

NGXO↗
NASA NTRS1986

Contribution of three-body potentials to the binding energy of heavy atoms

The conversion of quantum electrodynamics to a configuration-space Hamiltonian formalism introduces three-electron potentials of relativistic origin. For heavy atoms, it is found that the contribution of these potentials to the inner-shell binding energy is no more than 0.21 eV. This is too small to explain the discrepancy between current theory and experiment. The uniqueness of the potentials obtained in the configuration-space Hamiltonian is also discussed.

Zygelman, B.↗
NASA NTRS1977

Angular distribution of Auger electrons due to 3d-shell ionization of krypton

Cross sections for electron impact ionization of krypton due to ejection of a 3rd shell electron have been calculated using screened hydrogenic and Hartree-Slater wave functions for target atom. While the total ionization cross sections in the two approximations are within 10% of each other, the Auger electron angular distribution, related to cross sections for specific magnetic quantum numbers of the 3rd electrons, is widely different in the two approximations. The angular distribution due to Hartree-Slater approximation is in excellent agreement with measurement. The physical reason for the discrepancies in the two approximations is explained.

Omidvar, K.↗
NASA NTRS1977

Angular distribution of Auger electrons due to 3d-shell impact ionization of krypton

Cross sections for electron impact ionization of krypton due to ejection of a 3d-shell electron have been calculated using screened hydrogenic and Hartree-Slater wavefunctions for the target atom. While the total ionization cross sections in the two approximations are within 10% of each other, the Auger electron angular distribution, related to cross sections for specific magnetic quantum numbers of the 3d electrons, are widely different in the two approximations. The angular distribution due to the Hartree-Slater approximation is in excellent agreement with measurement. The physical reason for the discrepancies in the two approximations is explained.

Omidvar, K.↗
NASA NTRS1976

Theoretical L-shell Coster-Kronig energies 11 or equal to z or equal to 103

Relativistic relaxed-orbital calculations of L-shell Coster-Kronig transition energies have been performed for all possible transitions in atoms with atomic numbers. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order approximation to the local approximation was thus included. Quantum-electrodynamic corrections were made. Each transition energy was computed as the difference between results of separate self-consistent-field calculations for the initial, singly ionized state and the final two-hole state. The following quantities are listed: total transition energy, 'electric' (Dirac-Hartree-Fock-Slater) contribution, magnetic and retardation contributions, and contributions due to vacuum polarization and self energy.

Chen, M. H.↗