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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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47 records · Page 3

On the electron affinities of the Ca, Sc, Ti and Y atoms

For the Ca, Sc, Ti and Y atoms calculations are performed for the ground states of the neutrals and the ground and several low-lying excited states of the negative ions. Overall the computed electron affinities are in good accord with experiment. The calculations show the rapid stabilization of the 3d orbital relative to the 4p as the nuclear charge increases. The 3F(0) and 3D(0) terms are found to be close in energy in Sc(-) and in Y(-). This confirms earlier speculation that some of the peaks in the photodetachment spectra of Y(-) originate from the bound excited 3F(0) term of Y(-).

Bauschlicher, Charles W., Jr.↗

On the interpretation of the photoelectron spectrum of NiCO(-)

Ab initio calculations have been carried out for the X1Sigma(+), a3Delta, b3Delta(+), and c3Pi states of NiCO, using a large Gaussian basis set and an MCPF treatment of electron correlation. The calculated dissociation energies, De (kcal/mol), are 30.1, 11.5, 10.1, and 4.3 respectively. An analysis of the relative cross sections for photodetachment indicates the the lower energy feature in the photoelectron spectrum of NiCO(-) results primarily from bound-free transitions to the c3Pi state, with some contribution from bound-bound transitions to both the b3Sigma(+) and c3Pi states.

Bauschlicher, Charles W., Jr.↗

On the electron affinities of the Ca, Sc, Ti and Y atoms

For the Ca, Sc, Ti, and Y atoms calculations are performed for the ground states of the neutrals and the ground and several low-lying excited states of the negative ions. Overall, the computed electron affinities are in good accord with experiment. The calculations show the rapid stabilization of the 3d orbital relative to the 4p as the nuclear charge increases. The 3F0 and 3D0 terms are found to be close in energy in Sc(-) and in Y(-). This confirms earlier speculation that some of the peaks in the photodetachment spectra of Y(-) originate from the bound excited 3F0 term of Y(-).

Bauschlicher, Charles W., Jr.↗

Experimental investigations of low-energy (4 to 40 eV) collisions of O(-)(P2) ions and O(P3) atoms with surfaces

Using a newly-developed, magnetically confined source, low-energy, ground state oxygen negative ions and neutral atoms are generated. The energy range is variable, and atom and neutrals have been generated at energies varying from 2 eV to 40 eV and higher. It was found that the interaction of these low-energy species with a solid magnesium fluoride target leads to optical emissions in the (at least) visible and infrared regions of the spectrum. Researchers describe y details of the photodetachment source, and present spectra of the neutral and ion glows in the wavelength range 250 to 850 nm (for O(-)) and 600 to 850 nm (for O), and discuss the variability of the emissions for incident energies between 4 and 40 eV.

Chutjian, A.↗

Experimental investigations of low-energy (4-40 eV) collisions of O-(2P) ions and O(3P) atoms with surfaces

Using a newly-developed, magnetically confined source, low-energy, ground state oxygen negative ions and neutral atoms are generated. The energy range is variable, and atom and neutrals have been generated at energies varying from 2 eV to 40 eV and higher. It was found that the interaction of these low-energy species with a solid magnesium fluoride target leads to optical emissions in the (at least) visible and infrared regions of the spectrum. Researchers describe y details of the photodetachment source, and present spectra of the neutral and ion glows in the wavelength range 250 to 850 nm (for O/-/) and 600 to 850 nm (for O), and discuss the variability of the emissions for incident energies between 4 and 40 eV.

Orient, O. J.↗

Formation of ions and radicals from icy grains in comets

Two theoretical models for the formation of radicals from ice grains are examined to determine if this can explain the jets in comets. It is shown that the production rates for these radicals by the photolysis of molecules in the icy grains are not high enough to explain the jets. A new mechanism is proposed involving the release of cations and anions in the gas phase as the icy mantle surrounding the grains is evaporated. Solar visible radiation can then form radicals by photodetachment of the electrons from these anions. The production rate of radicals formed in this manner is in accord with the production rates of the observed radicals.

Jackson, William M.↗

Thermal instability in the inner coma of a comet

The spacecraft and ground based observations of comet Halley inner coma showed a localized ion density depletion region whose origin is not well understood. Although it has been linked to a thermal instability associated with negative ions, the photodetachment lifetime of negative ions (approximately 1 sec) is too short compared to the electron attachment time scale (approximately 100 sec) for this process to have a significant effect. A mechanism for the ion density depletion based on the thermal instability of the cometary plasma due to the excitation of rotational and vibrational levels of water molecules is proposed. The electron energy losses due to these processes peak near 4000 K (0.36 eV) and at temperatures higher than this value a localized cooling leads to further cooling (thermal instability) due to the increased radiation loss. The resulting increase in recombination leads to an ion density depletion and the estimates for this depletion at comet Halley agree with the observations.

Milikh, G. M.↗

On Interpreting the Photoelectron Spectra of MgO

The (sup 2)Sigma(+) and (sup 2)Pi states of MgO(-) and the (sup 1)Sigma(+), (sup 1)Pi, and (sup 3)Pi states of MgO are studied using the averaged coupled-pair functional (ACPF) approach. The computed spectroscopic constants are in good agreement with the available experimental data. The computed Franck-Condon factors and photodetachment overlaps are compared with experiment.

Bauschlicher, Charles W., Jr.↗

Electron-He(+) P-wave Elastic Scattering and Photoabsorption in Two-electron Systems

In a previous paper [Bhatia, Phys. Rev. A 69,032714 (2004)], electron-hydrogen P-wave scattering phase shifts were calculated using the optical potential approach based on the Feshbach projection operator formalism. This method is now extended to the singlet and triplet electron-He(+) P-wave scattering in the elastic region. Phase shifts are calculated using Hylleraas-type correlation functions with up to 220 terms. Results are rigorous lower bounds to the exact phase shifts and they are compared to phase shifts obtained from the method of polarized orbitals and close-coupling calculations. The continuum functions calculated here are used to calculate photoabsorption cross sections. Photoionization cross sections of He and photodetachment cross sections of H(-) are calculated in the elastic region, i.e. leaving He(+) and H in their respective ground states, and compared with previous calculations. Radiative attachment rates are also calculated.

Bhatia, A. K.↗

Uncertainty Analysis of Air Radiation for Lunar Return Shock Layers

By leveraging a new uncertainty markup technique, two risk analysis methods are used to compute the uncertainty of lunar-return shock layer radiation predicted by the High temperature Aerothermodynamic Radiation Algorithm (HARA). The effects of epistemic uncertainty, or uncertainty due to a lack of knowledge, is considered for the following modeling parameters: atomic line oscillator strengths, atomic line Stark broadening widths, atomic photoionization cross sections, negative ion photodetachment cross sections, molecular bands oscillator strengths, and electron impact excitation rates. First, a simplified shock layer problem consisting of two constant-property equilibrium layers is considered. The results of this simplified problem show that the atomic nitrogen oscillator strengths and Stark broadening widths in both the vacuum ultraviolet and infrared spectral regions, along with the negative ion continuum, are the dominant uncertainty contributors. Next, three variable property stagnation-line shock layer cases are analyzed: a typical lunar return case and two Fire II cases. For the near-equilibrium lunar return and Fire 1643-second cases, the resulting uncertainties are very similar to the simplified case. Conversely, the relatively nonequilibrium 1636-second case shows significantly larger influence from electron impact excitation rates of both atoms and molecules. For all cases, the total uncertainty in radiative heat flux to the wall due to epistemic uncertainty in modeling parameters is 30% as opposed to the erroneously-small uncertainty levels (plus or minus 6%) found when treating model parameter uncertainties as aleatory (due to chance) instead of epistemic (due to lack of knowledge).

Kleb, Bil↗

Photoejection with Excitation in H(-) and Other Systems

Lyman-alpha radiation, 1216 Angstroms , has been seen from the sun and from various astrophysical sources. This radiation arises from the radiative transition from the 2p(sup 2P) state to the 1s(sup 2S) state of the hydrogen atom. The 2P state can be excited from the 1s(sup 2S) state by electron impact. However, it is possible to produce this excited state by photodetachment of the H(-) ion, leaving the H atom in the 2P state. We have calculated cross sections for this process using Hylleraas-type functions for the H− ion and using the exchange approximation for the photoelectron in the final continuum states of angular momenta equal to 0 and 2. The photoabsorption cross sections in H−ions or He atoms leaving the hydrogen atom and helium ion in 2(sup 2S) are also calculated. Similar calculations havebeen carried out for the Li(+), Be2(+), and C4(+) ions.

photoejection↗