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Results for “IONIZATION POTENTIAL”

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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Excimer laser produced plasmas in copper wire targets and water droplets

Elastically scattered incident radiation (ESIR) from a copper wire target illuminated by a KrF laser pulse at lambda = 248 nm shows a dinstinct two-peak structure which is dependent on the incident energy. The time required to reach the critical electron density (n(sub c) approximately = 1.8 x 10(exp 22) electrons/cu cm) is estimated at 11 ns based on experimental results. Detailed ESIR characteristics for water have been reported previously by the authors. Initiation of the broadband emission for copper plasma begins at 6.5 +/- 1.45 ns after the arrival of the laser pulse. However, the broadband emission occurs at 11 +/- 0.36 ns for water. For a diatomic substance such as water, the electron energy rapidly dissipates due to dissociation of water molecules, which is absent in a monatomic species such as copper. When the energy falls below the excitation energy of the lowest electron state for water, it becomes a subexcitation electron. Lifetimes of the subexcited electrons to the vibrational states are estimated to be of the order of 10(exp -9) s. In addition, the ionization potential of copper (440-530 nm) is approximately 6 eV, which is about two times smaller than the 13 eV ionization potential reported for water. The higher ionization potential contributes to the longer observed delay time for plasma formation in water. After initiation, a longer time is required for copper plasma to reach its peak value. This time delay in reaching the maximum intensity is attributed to the energy loss during the interband transition in copper.

Song, Kyo-Dong↗
DOE OSTI2022

Real-time equation-of-motion CC cumulant and CC Green’s function simulations of photoemission spectra of water and water dimer

Newly developed coupled-cluster (CC) methods enable simulations of ionization potentials and spectral functions of molecular systems in a wide range of energy scales ranging from core-binding to valence. This paper discusses the results obtained with the real-time equation-of-motion CC cumulant (RT-EOM-CC) approach and CC Green’s function (CCGF) approaches in applications to the water and water dimer molecules. Here, we compare the ionization potentials obtained with these methods for the valence region with the results obtained with the coupled-cluster with singles, doubles, and perturbative triples formulation as a difference of energies for N and N – 1 electron systems. All methods show good agreement with each other. They also agree well with the experiment with errors usually below 0.1 eV for the ionization potentials. We also analyze unique features of the spectral functions, associated with the position of satellite peaks, obtained with the RT-EOM-CC and CCGF methods employing single and double excitations, as a function of the monomer OH bond length and the proton transfer coordinate in the dimer. Finally, we analyze the impact of the basis set effects on the quality of calculated ionization potentials and find that the basis set effects are less pronounced for the augmented-type sets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1954

Determination of Flame Temperatures from 2000 to 3000 K by Microwave Absorption

Equations are derived for the measurement of flame temperatures from the attenuation of a microwave beam by temperature-induced free electrons from chemical elements introduced in the flame. Corrections are developed to account for the electron distribution in the flame. Procedure for obtaining the temperature from absorption is outlined. The free electron collision frequency and an effective ionization potential for four alkali elements were determined experimentally. The data were taken on a gas burner with a temperature range from 1900deg to 2400deg K. The effective ionization potential of sodium agrees with the spectral-line limit value. From these experimental ionization potentials and the experimental collision frequency, an accuracy of +/-600 K in the temperature was obtained. Fluctuating and average temperature data of a liquid propellant burner are presented primarily from 1.25-centimeter-wavelength microwave measurements in comparison with simultaneous two-color pyrometer and sound intensity measurements in the region from 2200deg to 2900deg K.

Kuhns, Perry W↗
NASA NTRS1983

The relative abundances of Sn, Te, Xe, Ba and Ce

Elements with even atomic number (Z) in the interval 50 or = Z or = 58 were resolved in the cosmic radiation using the Heavy Nuclei Experiment on the HEAO-3 satellite. Their relative abundances were compared with the results expected from pure r-process material, pure s-process material, and solar system material, both with and without a modification due to possible first ionization potential effects. Such effects may be the result of the preferential acceleration, and hence enhancement in the cosmic rays, of those elements having low first ionization potentials. Measurements were found to be inconsistent with pure r-process material at the greater than 98% confidence level whether or not the first ionization potential adjustments are made.

Krombel, K. E.↗
NASA NTRS1992

Hydrogen molecules and chains in a superstrong magnetic field

The electronic structures of hydrogen polymolecules H(n) (n = 2,3,4,...) is studied in a superstrong magnetic field (B greater than about 10 exp 12 G) typically found on the surface of a neutron star. Simple analytical scaling relations for several limiting cases (e.g., large n, high B field) are derived. The binding energies of H(n) molecules are numerically calculated for various magnetic-field strengths. For a given magnetic-field strength, the binding energy per atom in the H(n) molecules is found to approach a constant value as n increases. For typical field strengths of interest, energy saturation is essentially achieved once n exceeds 3 to 4. Also considered is the structure of negative H ions in a high magnetic field. For B about 10 exp 12 G, the dissociation energy of an atom in a hydrogen chain and the ionization potential of H(-) are smaller than the ionization potential of neutral atomic hydrogen.

Lai, Dong↗
NASA NTRS1988

Cosmic-ray energy spectra between 10 and several hundred GeV per atomic mass unit for elements from Ar-18 to Ni-28 - Results from HEAO 3

Results from the Heavy Nuclei experiment on HEAO 3 are used to determine the primary abundances of Ni and Fe. Ni and Fe are found to have nearly constant relative abundances over the interval of 10 to about 500 GeV per amu. Individual secondary elements derived principally from interactions of primary Fe nuclei are shown to display a power-law decrease in relative abundance up to about 150 GeV per amu. Ar/Fe and Ca/Fe ratios of 2.6 + or - 0.7 percent and 8.8 + or - 0.7 percent, respectively, are found, confirming a fractionation of source abundances in which elements with high values of the first ionization potential are depleted relative to those with low first ionization potential.

Binns, W. R.↗
NASA NTRS2002

FIP, FIT or MAD? Analysis of High Signal-to-Noise ASCA Spectra of Coronal Stars

ASCA (Advanced Satellite for Cosmology and Astrophysics) and EUVE (Extreme Ultraviolet Explorer) spectra of active late-type stars imply that Fe and other medium-Z elements may be 2-10 times less abundant in the coronae of these stars than in their photo-spheres (the MAD effect). These deficiencies may be related to the solar FIP (First Ionization Potential) effect, in which Fe and other low First Ionization Potential elements appear enriched in the solar corona over their photospheric values. The FIP effect is time variable. As part of this proposal, the K0-2 III star, 29 Draconis, was observed in X rays with the ASCA spacecraft in order to measure the coronal abundances of this star at three different stellar longitudes over its 31-day rotation cycle. The goal of the observations was to learn whether coronal abundances, and hence coronal magnetic structure, vary across the surface of 29 Draconis in phase with the motion of dark star-spots across its disk. A second task included in this project was a systematic reanalysis of 18-20 deep exposures of active coronal stars, which were extracted from the ASCA public archives. New thermal models were computed for each spectrum in order to derive coronal metal abundances for each star. The goal of this survey was to search for possible trends in coronal abundance with various stellar parameters such as rotation, chromospheric activity levels at ultraviolet and optical wavelengths, or evolutionary stage.

Simon, Theodore↗
DOE OSTI2022

Modeling Absolute Redox Potentials of Ferrocene in the Condensed Phase

Absolute thermodynamic quantities for critical chemical reactions are needed to determine the role of solvents and reactive environments in catalysis and electrocatalysis beyond the relative scales typically employed. In principle, theoretical methods can provide such quantification but are often hindered by the innate complexity of strong electron correlation and dynamic relaxation of solvent environments. Here, we present and validate a protocol for calculating the redox potentials of ferrocene/ferrocenium redox pair in the acetonitrile. Equation-of-motion ionization potential coupled-cluster single-double (EOM-IP-CCSD) and effective fragment potential (EFP) methods are used to characterize the adiabatic and vertical ionization potentials (IP) as well as the electron affinity processes. We benchmark molecular mechanics against the EFP model to show the differences in ferrocene electronic polarizability in two redox states. Our best estimate of the redox potential (4.94 eV) agrees well with the experimental value (4.93 eV). This demonstrated the ability of modern computational methods to predict absolute redox potentials quantitatively and, more critically, quantify the correlation of dynamic effects, which underlie their origin.

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

The ultraheavy cosmic rays - Propagation and selective acceleration

Results of calculations of ultraheavy cosmic ray propagation are examined in the light of recent observations and theoretical advances with the objective of distinguishing the effects of propagation from nucleosynthesis and preferential acceleration. The results presented here have been calculated by the method described in Margolis (1983), with elements from iron (Z = 26) to uranium (Z = 92) combined in a single calculation. The source abundances of Anders and Ebihara (1982) have been used as a reference composition. It is shown, in particular, that the relative abundances of Sr and Ba are substantially increased by using the modified ionization potential dependence (MIPD) compared with solar abundances and the first ionization potential dependence (FIPD) model. In contrast, Pb shows similar enhancements in both FIPD and MIPD models.

Margolis, S. H.↗
NASA NTRS2009

Electric propulsion device for high power applications

An electric propulsion device is disclosed having an anode and a cathode. The propulsion device includes a discharge annulus having the anode adjacent an end region thereof. At least one inlet aperture is adjacent the anode, the aperture(s) having propellant gas flow therethrough into the discharge annulus. The propellant gas has an ionization potential. Opposed, dielectric walls define the annulus, with at least one of the opposed dielectric walls having pores therein, the pores having cooling gas flow therethrough into the discharge annulus and substantially adjacent the opposed dielectric wall(s). The cooling gas has an ionization potential higher than the ionization energy of the propellant gas. The cooling gas is adapted to substantially prevent at least one of secondary electron emission and sputtering of the dielectric walls.

Roy, Subrata↗
DOE OSTI2025

Estimating ionization states and continuum lowering from ab initio path integral Monte Carlo simulations for warm dense hydrogen

Warm dense matter (WDM) is an active field of research, with applications ranging from astrophysics to inertial confinement fusion. Ionization degree and continuum lowering are important quantities to understand how materials behave under these conditions, but can be difficult to diagnose since experimental campaigns are limited and often require model-dependent analysis. This is especially true for hydrogen, which has a comparably low scattering cross section, making high-quality data particularly difficult to obtain. Consequently, building equation of state tables often relies on simulations in combination with untested approximations to extract properties from experiments. Here, we investigate an approach for extracting the ionization potential depression and ionization degree—quantities which are otherwise not directly accessible from the physical model—from first-principles path integral Monte Carlo (PIMC) simulations utilizing a chemical model. In contrast to experimental measurements, where noise and nonequilibrium effects add to the uncertainty of the inferred parameters, PIMC simulations provide a clean signal with well-defined thermodynamic conditions. Comparisons against commonly used models show a qualitative agreement, but we find deviations primarily for the high-density and high-temperature cases. We also demonstrate the decreasing sensitivity of the dynamic structure factor with respect to both ionization and continuum lowering for increasing scattering angles in x-ray Thomson scattering experiments. Our work has important implications for the design of future experiments, but also offers qualitative understanding of structure factors and the imaginary-time correlation function obtained from first-principles quantum Monte Carlo simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1994

An Optics Free Spectrometer for the Extreme Ultraviolet

The optics-free spectrometer is a photon spectrometer. It provides the photon spectrum of a broadband source by converting photons of energy E into electrons of energy E', according to the Einstein relation, E' = E - Ei. E, is the ionization threshold of the gas target of interest (any of the rare gases are suitable) and E is the incoming photon energy. As is evident from the above equation, only a single order spectrum is produced throughout the energy range between the first and second ionization potentials of the rare gas used. Photons with energy above the second ionization potential produce two groups of electrons, but they are readily distinguished from each other. This feature makes this device extremely useful for determining the true spectrum of a continuum source or a many line source. The principle of operation and the laboratory results obtained with a representative configuration of the optics-free spectrometer are presented.

Judge, D. L.↗
NASA NTRS1975

Solar and galactic cosmic ray abundances - A comparison and some comments

We have compared the abundances of galactic cosmic rays at their source and solar cosmic-rays utilizing new data which includes the first determination of the abundances of Na and Al in the solar cosmic ray population. We find the relative abundances of the solar and galactic species to be identical within experimental error for 8 elements. One clear abundance difference exists for C. He and Fe have a variable solar cosmic ray abundance, and the unbiased abundance of both of these nuclei is also probably different than that in the galactic cosmic ray sources. We also have compared the cosmic ray abundances with solar system and solar atmospheric abundance determinations. We find an abundance ratio which depends on the first ionization potential for galactic cosmic rays; however, in addition, we find this same dependence on ionization potential for solar cosmic ray abundance ratios. The implications of this result are discussed.

Webber, W. R.↗
NASA NTRS1980

IUE observations of the atmospheric eclipsing binary system Zeta Aurigae

IUE observations of the eclipsing binary system Zeta Aurigae made prior to and during the eclipse of the relatively small B8 V star by the cool supergiant star (spectral type K2 II) are reported. Spectral lines produced by the absorption of B star radiation in the atmosphere of the K star during eclipse can be used as a probe of the extended K star atmosphere, due to the negligible cool star continuum in the 1200-3200 A region. Spectra taken prior to eclipse are found to be similar to those of the single B8 V star 64 Ori, with the exception of very strong multi-component absorption lines of Si II, Si IV, C IV and the Mg resonance doublet with strong P Cygni profiles, indicating a double shell. Absorption lines including those corresponding to Al II, Al III, Cr II, Mn II, Fe II, Ni II and Ca II are observed to increase in strength and number as the eclipse progresses, with high-ionization-potential lines formed far from the K star, possibly in a shock wave, and low-ionization potential lines, formed in cool plasma, probably a cool wind, nearer to the K star. Finally, an emission-line spectra with lines corresponding to those previously observed in absorption is noted at the time the B-star continuum had disappeared.

Champman, R. D.↗
NASA NTRS1991

Observations of the 2-micron unidentified lines in planetary nebulae

Medium-resolution spectra in the K-window have been obtained for 13 planetary nebulae and one compact H II region in order to study the behavior of the unidentified line at 2.287 microns. The wavelengths of this line and the unidentified 2.199-micron line have been measured in NGC 7027 at high spectral resolution using a Fabry-Perot interferometer. Based on the interferometric measurements and the lack of correlation of the 2.287-micron line with emission in H2 lines, the unidentified lines are not lines of molecular hydrogen. The 2.287-micron line is strongest in medium-high excitation nebulae, and is absent in nebulae of very low and very high excitation, implying that the ionization potential of the parent atom or ion is about 30-40 eV and that the ion itself has an ionization potential of perhaps 40-60 eV.

Geballe, T. R.↗
NASA NTRS1991

Theoretical study of the bonding of Nb(2+) to CH2, C2H2, and C2H4

The bonding of Nb(2+) with CH2, C2H2, and C2H4 is studied by using electronic structure calculations that include high levels of electron correlation. The binding energy for NbCH2(2+) is in good agreement with the lower bound determined from the reaction with CH4 but is significantly smaller than the value determined from the binding energy and ionization potential of NbCH2(+). The calculations and a new interpretation of the experiment indicate that the larger value is in error primarily because the ionization potential of NbCH2(+) determined from bracketing charge-exchange reactions is too small. The computed binding energy of NbC2H2(2+) is in good agreement with experiment. The calculations show that the bonding is predominantly covalent in character for both NbCH2(2+) and NbC2H2(2+), whereas for NbC2H4(2+) the electronic states that are predominantly ionic and covalent are nearly degenerate. The trend in binding energies, CH2 greater than C2H2 greater than C2H4, is consistent with the energy required to prepare the ligands for bonding.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1988

Use of propane as a quench gas in argon-filled proportional counters and comparison with other quench gases

An experimental investigation of propane and six other quench gases was carried out in argon-filled proportional counters. The objective of the study was to find the best gas mixture for optimizing the gas gain and the energy resolution as well as to understand the role of the ionization potential of quench gases in determining these parameters. It was found that the best gas gains and energy resolutions are obtained with propane, ethane, and isobutane in that order. The ionization potentials of these three lie below the argon metastable potentials and have the lowest value of resonance defect compared to the other quench gases. The better results obtained with these mixtures can be explained by an increased ionization yield resulting from the Penning effect. Propylene and trans-2-butene give inferior performance compared to the above three gases. Methane and carbon dioxide, the most commonly used quench gases in the argon-filled detectors, provide the worst results.

Agrawal, P. C.↗