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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Neutral Silicon-Vacancy Centers in Diamond via Photoactivated Itinerant Carriers

Neutral silicon-vacancy (Si-V 0 ) centers in diamond are promising candidates for quantum network applications because of their exceptional optical properties and spin coherence. However, the stabilization of Si-V 0 centers requires careful Fermi-level engineering of the diamond host material, making further technological development challenging. Here, we show that Si-V 0 centers can be efficiently stabilized by photoactivated itinerant carriers. Even in this nonequilibrium configuration, the resulting Si-V 0 centers are stable enough to allow for resonant optical excitation and optically detected magnetic resonance. Furthermore, our results pave the way for on-demand generation of Si-V 0 centers as well as other emerging quantum defects in diamond.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1976

Neutral calcium, strontium and barium - Determination of f values of the principal series by the hook method

The hook method is used to measure the absolute gf values of the following lines: the first 13 members of the principal series, the ground-level transition at 2275.46 A, and the intercombination line at 6572.78 A in Ca I; the first 22 members of the principal series, the ground-level transitions at 2428.1 and 2680.08 A, and the intercombination line at 6892.6 A in Sr I; and the members from principal quantum numbers 12 to 21, inclusive, as well as the ground-level transitions at 2432.5, 2444.6, and 2454.06 A in Ba I. The results are compared with those of previous measurements, and the quantum-defect method is applied to plot the oscillator strengths of the discrete transitions in the principal series of Mg I, Ca I, and Sr I in order to obtain estimates of the photoionization cross sections at the first ionization limit. The resulting cross sections are found to be about twice as large as previous values based on vapor-pressure data.

Parkinson, W. H.↗
NASA NTRS1977

Electron-impact excitation of O III in the distorted-wave approximation

The 3P - 1D electron-impact excitation cross section within the ground configuration of doubly ionized oxygen is calculated in the distorted-wave approximation. An essential element of the present treatment is that orthogonality is not assumed between core and scattering orbitals of the same angular symmetry. Resonance structures are included through the use of quantum-defect theory. Near threshold the effect of an isolated autoionization resonance in the dominant 2D(0) partial wave is found to be important, in agreement with previous close-coupling results.

Pindzola, M. S.↗
NASA NTRS1977

Absorption spectrum of Pb I between 1350 and 2041 A

The high resolution absorption spectrum of Pb I is reported between 1350 and 2041 A. Transitions are observed from the 6p2 (1/2,1/2)0, (3/2,1/2)1, and (3/2,1/2)2 levels to levels with J less than or equal to 2 associated with 6pns and 6pnd configurations. Energy levels have been determined with n(asterisk) values as high as 74. More than 500 spectral features and 370 odd parity energy levels are reported, a major part of which are new. These observations include five electric quadrupole transitions and 31 nuclear-spin-induced transitions from the Pb-207 isotope. Ionization limits of 59819.57 per cm and 73900.64 per cm have been determined for levels converging on the 6p 2P(1/2)O and 6p 2P(3/2)O levels of Pb II, respectively. An analysis of these data in terms of Lu-Fano graphical methods and multichannel quantum defect parametrization also is presented.

Brown, C. M.↗
NASA NTRS1980

Two-photon excitation cross-section in light and intermediate atoms

The method of explicit summation over the intermediate states is used along with LS coupling to derive an expression for two-photon absorption cross section in light and intermediate atoms in terms of integrals over radial wave functions. Two selection rules, one exact and one approximate, are also derived. In evaluating the radial integrals, for low-lying levels, the Hartree-Fock wave functions, and for high-lying levels, hydrogenic wave functions obtained by the quantum defect method are used. A relationship between the cross section and the oscillator strengths is derived. Cross sections due to selected transitions in nitrogen, oxygen, and chlorine are given. The expression for the cross section is useful in calculating the two-photon absorption in light and intermediate atoms.

Omidvar, K.↗
NASA NTRS1980

Two-photon excitation cross section in light and intermediate atoms in frozen-core LS-coupling approximation

Using the method of explicit summation over the intermediate states two-photon absorption cross sections in light and intermediate atoms based on the simplistic frozen-core approximation and LS coupling have been formulated. Formulas for the cross section in terms of integrals over radial wave functions are given. Two selection rules, one exact and one approximate, valid within the stated approximations are derived. The formulas are applied to two-photon absorptions in nitrogen, oxygen, and chlorine. In evaluating the radial integrals, for low-lying levels, the Hartree-Fock wave functions, and for high-lying levels, hydrogenic wave functions obtained by the quantum-defect method have been used. A relationship between the cross section and the oscillator strengths is derived.

Omidvar, K.↗
NASA NTRS1981

Photoexcitation and ionization in carbon dioxide - Theoretical studies in the separated-channel static-exchange approximation

Vertical-electronic static-exchange photoexcitation and ionization cross sections are reported which provide a first approximation to the complete dipole spectrum of CO2. Separated-channel static-exchange calculations of vertical-electronic transition energies and oscillator strengths, and Stieltjes-Chebyshev moment methods were used in the development. Detailed comparisons were made of the static-exchange excitation and ionization spectra with photoabsorption, electron-impact excitation, and quantum-defect estimates of discrete transition energies and intensities, and with partial-channel photoionization cross sections obtained from fluorescence measurements and from tunable-source and (e, 2e) photoelectron spectroscopy. Results show that the separate-channel static-exchange approximation is generally satisfactory in CO2.

Padial, N.↗
NASA NTRS1981

Recombination coefficients for iron ions

Radiative recombination coefficients for all Fe ions are calculated by use of the Milne relation of detailed balance. Analytic fits are made to the dielectronic recombination rates computed by Jacobs (1977) and the Burgess general formula (1965). Higher level rates are treated hydrogenically by a quantum defect method based on the energies of the levels. Recombination coefficients for Fe I to Fe 26 are listed.

Woods, D. T.↗
NASA NTRS1982

A note on the assignments of Rydberg states of COS

Assignments of the Rydberg states which converge to the respective X-tilde and B-tilde ion states of the COS(+) ion are reported. The assignments were made based on previously established orderings for the quantum defects of isoelectronic molecules. The Rydberg series I and II, which converge to the X-tilde 2 Pi state of COS(+), and the series III, IV, V, VI and VII, which converge to the B-tilde 2 Sigma + state, are assigned to molecular orbitals characterized by predominant sulfur orbitals, in contrast to those converging to the C-tilde states, which are characterized by oxygen atomic orbitals.

Wu, C. Y. R.↗
NASA NTRS1984

Theoretical studies of X-ray emission from supernova remnants and other non-equilibrium astrophysical plasmas

To improve the accuracy of thermal X-ray emission spectrum predictions, new computations of electron excitation rates, dielectric recombination rates, and updated codes were applied to existing data on supernova remnants and O star winds. Because of its general predominance along with low ionization and recombination rates, Fe(XVII) was analyzed with the inclusion of resonances to the excitation rate data. Corrections to the existing dielectric recombination rates based on detailed Fe (XVII) calculations and the more approximate Quantum Defect Method were accomplished. by using Distorted Wave ionization rates and reliable excitation rates, models for X-ray, ultraviolet, and optical emission line intensities of non-radiative shock wave can be constructed that supply data on shock velocity, preshock ionization states, and elemental abundances. The radiative driving force that drives the shock wave is calculated through line opacities of the shocked gas. X-ray emission spectra are also calculated for O star winds.

Dupree, A. K.↗
NASA NTRS1987

Resonant enhanced multiphoton ionization studies of atomic oxygen

In resonant enhanced multiphoton ionization (REMPI), an atom absorbs several photons making a transition to a resonant intermediate state and subsequently ionizing out of it. With currently available tunable narrow-band lasers, the extreme sensitivity of REMPI to the specific arrangement of levels can be used to selectively probe minute amounts of a single species (atom) in a host of background material. Determination of the number density of atoms from the observed REMPI signal requires a knowledge of the multiphoton ionization cross sections. The REMPI of atomic oxygen was investigated through various excitation schemes that are feasible with available light sources. Using quantum defect theory (QDT) to estimate the various atomic parameters, the REMPI dynamics in atomic oxygen were studied incorporating the effects of saturation and a.c. Stark shifts. Results are presented for REMPI probabilities for excitation through various 2p(3) (4S sup o) np(3)P and 2p(3) (4S sup o) nf(3)F levels.

Dixit, S. N.↗
NASA NTRS1987

Assignments of autoionization states of O2-asterisk

Attention is given to the uncertainties that remain concerning the autoionization states of O2 leading to the a 4Pi(u) and A 2Pi(u) states of O2(+), as well as some of the assignments of the autoionization states and the determinations of effective quantum numbers and quantum defects. The former problems of vibrational assignments are unambiguously established in view of a study of isotopic oxygen molecules. A systematic examination of the known Rydberg series is conducted, and new assignments and interpretations for several autoionization states leading to the various states of O2(+) are suggested.

Wu, C. Y. Robert↗
NASA NTRS1988

Static multipole polarisabilities and second-order Stark shift in francium

The multipole polarizability of the ground state of francium is calculated by utilizing both the variational technique of Davison and the quantum defect theory underlying the Bates-Damgaard method. This approach is also shown to yield reasonable results for other alkali atoms. Second-order Stark shift for the ground state of francium is presented as a function of field strength for possible future experimental comparison.

Khan, F.↗
NASA NTRS1989

Jet-resolved vibronic structure in the higher excited states of N2O - Ultraviolet three-photon absorption spectroscopy from 80,000 to 90,000/cm

Ionization-detected UV multiphoton absorption spectroscopy of the excited states of N2O is presented, showing Rydberg structure within 20,000/cm of the first ionization threshold. Despite evidence for strong Rydberg-continuum coupling in the form of broadened bands and Fano line-shapes, the Rydberg structure persists, with atomic-like quantum defects and vibration structure well-matched with that of the ion. In the most clearly resolved spectrum, corresponding to the 3p(delta)1Pi state, Renner-Teller and Herzberg-Teller coupling of electronic and vibrational angular momentum are revealed. It is suggested that these mixings are properties of the N2O(+)Pi ion core.

Patsilinakou, E.↗
NASA NTRS1990

Theoretical studies of important processes in planetary and comet atmospheres

Dissociative recombination (DR) reactions in planetary and comet atmospheres are discussed. A computer program was developed which determines DR cross sections and rates using potential curves and electronic capture widths. It uses Multi-Channel Quantum Defect Theory (MQDT) to include excited Rydberg resonance levels in the DR cross section and rate calculations. Each vibrational level of a molecular ion is the limit for an infinite series of Rydberg states. Above each ion vibrational level are Rydberg vibrational levels having higher ion levels as their series limit. These Rydberg vibrational levels are resonances, i.e., neutral states which are imbedded in the electron-molecular ion continuum. The process in which the Rydberg level causes an abrupt perturbation in the cross section for DR (because of interference between capture into the Rydberg level and capture into the repulsive dissociative state) is referred to as indirect recombination. The process in which the Rydberg levels are excluded and recombination goes from the entrance channel to the repulsive state is called direct recombination. The full DR process, i.e., both direct and indirect recombination, is the process of importance for planetary atmospheres. These ideas are illustrated with the new results for DR from excited ion vibrational levels of O2(+) into the dissociative state which leads to O(1S) + O(1D).

Guberman, Steven L.↗
NASA NTRS1991

Dissociative recombination of the ground state of N2(+)

Large-scale calculations of the dissociative recombination cross sections and rates for the v = 0 level of the N2(+) ground state are reported, and the important role played by vibrationally excited Rydberg states lying both below and above the v = 0 level of the ion is demonstrated. The large-scale electronic wave function calculations were done using triple zeta plus polarization nuclear-centered-valence Gaussian basis sets. The electronic widths were obtained using smaller wave functions, and the cross sections were calculated on the basis of the multichannel quantum defect theory. The DR rate is calculated at 1.6 x 10 to the -7th x (Te/300) to the -0.37 cu cm/sec for Te in the range of 100 to 1000 K, and is found to be in excellent agreement with prior microwave afterglow experiments but in disagreement with recent merged beam results. It is inferred that the dominant mechanism for DR imparts sufficient energy to the product atoms to allow for escape from the Martian atmosphere.

Guberman, Steven L.↗