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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Method and apparatus for generating coherent radiation in the ultra-violet region and above by use of distributed feedback

Helium in the superfluid state emits copious amounts of radiation in the ultraviolet region when excited by an electron stream. Conventional laser action using mirrors is impossible in superfluid helium because there are no mirrors that will reflect VUV radiation. By utilizing the distributed feedback method, the superfluid helium can be made to lase. By setting up a standing wave in superfluid helium that has a wavelength equal to, or harmonically related to, half the wavelength of the photon radiation chosen to be emitted as laser radiation by the superfluid helium, the need for end mirrors to produce reflection of the laser radiation is eliminated and reflection occurs instead at the wavefronts of the standing wave. The photons leave the superfluid helium at right angles to the standing wave as coherent radiation having a very high intensity. The standing wave established in the superfluid helium may be an acoustical standing wave, a thermal standing wave (second sound), or an electric standing wave.

Saffren, M. M.↗
NASA NTRS1996

Collision Strengths for Electron Impact Excitation of Inelastic Transitions in Ar II

We have calculated collision strengths for electron impact excitation of inelastic transitions in Ar II using the R-matrix method in two independent nine- and 19-state close-coupling approximations. In the nine-state calculation the 3s(sup 2)3p(sup 5)2p(sup 0), 3S(sup 3)p(sup 6)S-2, 3p(sup 4)(P-3)4s(sup 2)P, 3p(sup 4)(P-3)3d(sup 2)P, 3p(sup 4)(D-1)4s(sup 2)D, 3p(sup 4)(P-3)3d(sup 2)D, 3p(sup 4)(S-1)4s(sup 2)S, 3p(sup 4)(D-1)3d(sup 2)S and 3p(sup 4)(D-1)4d(sup 2)S states are included, while in the 19-state calculation these states plus an additional ten states 3p(sup 4)(P-3)3d(sup 2)F, 3p(sup 4)(P-3)4p(sup 2)D(sup 0), 2p(sup 0), 2S(sup 0), 3p(sup 4)(D-1)4p(sup 2)P(sup 0), 2D(sup O), 2F(sup 0), 3p(sup 4)(D-1)3d(sup 2)D, p-2 and 3p(sup 4)(S-1)4p(sup 2)P(sup 0) are considered. These target states are represented by fairly extensive configuration-interaction wavefunctions which yield excitation energies and oscillator strengths that are generally in good agreement with the available most accurate calculations and the experimental values. Rydberg series of resonances converging to the excited state thresholds are included in the calculation. The effective collision strengths are obtained assuming a Maxwellian distribution of electron energies which are tabulated over the temperature range (0.5-20) x 10(exp 4) K.

Tayal, S. S.↗
NASA NTRS2018

Calculation of Thermochemical Properties of Carbon-cluster Ablation Species

Carbon clusters and hydrocarbons are constituents of the pyrolysis gases injected into the boundary layer of a space vehicle with a carbonaceous heat shield. These molecules have absorption spectra in the VUV and UV region that match the emission spectra of atomic nitrogen and oxygen. Hence, they can potentially absorb the radiation impinging on the heat shield of the space vehicle. This paper studies the ground state thermochemical properties and low-lying excited electronic states of potential radiation absorbing molecules present in the boundary layer using ab initio quantum chemistry methods. These results provide a more accurate prediction of the radiative heat flux on the surface which can lead to improvement in the design of the thermal protection system.

enthalpy↗
NASA NTRS1986

Double photon excitation of high-Rydberg atoms as a long-lived submillimeter detector

A method and apparatus for detecting submillimeter or IR radiation is disclosed. A rare gas, such as xenon, is supplied at its ground state via a pressurized cylinder and an adjustable leak valve into a cryogenically cooled detection area. The ground state of xenon is double photon excited to a particularized level of the Rydberg series by a resonance lamp and a laser. The doubly excited gas is then further excited by the radiation to be measured. A field ionization and an ion measurement indicative of the radiation intensity is achieved.

Chutjian, A. N.↗
NASA NTRS1991

Intrusive and nonintrusive measurements of flow properties in arc jets

While numerous diagnostic techniques are available for determining the flow properties of arc jets, these have to be used complementarily in order to cover all the requisite information. Although intrusive techniques disturb the flow, they yield much information. The determination of total enthalpy remains a major challenge, and accurate heat-flux measurements entail knowledge of atom recombination and chemical energy recombination coefficients. Such state-specific methods as the spectroscopic and laser techniques are useful in understanding the chemistry and nonequilibrium reaction and excitation rates of the flow.

Scott, Carl D.↗
NASA NTRS1999

Charge and Spin Dynamics of the Hubbard Chains

We calculate the local correlation functions of charge and spin for the one-chain and two-chain Hubbard model using density matrix renormalization group method and the recursion technique. Keeping only finite number of states we get good accuracy for the low energy excitations. We study the charge and spin gaps, bandwidths and weights of the spectra for various values of the on-site Coulomb interaction U and the electron filling. In the low energy part, the local correlation functions are different for the charge and spin. The bandwidths are proportional to t for the charge and J for the spin respectively.

Park, Youngho↗
NASA NTRS1983

A simple theoretical model for calculating and parameterizing the ionospheric photoelectron flux

A method for calculating the ionospheric photoelectron flux is developed which uses the concept of average electron energy loss to simplify the calculation of the degraded electron spectrum. This method requires only a knowledge of the total inelastic electron impact cross sections and can be used for the calculation of all secondary ion and excited state production rates. The simple calculation reduces the computing time by a factor of 10 and considerably reduces storage requirements. It is found that the ionospheric photoelectron flux in the local equilibrium region is directly proportional to the attenuated solar EUV flux, which is a function only of the total neutral column density, and is independent of the neutral density composition. Thus, it is shown that electron impact cross section can be chosen so that this method may also be used to parameterize the measured ionospheric photoelectron fluxes.

Richards, P. G.↗
NASA NTRS1976

Laser induced photoluminescence spectroscopy of cometary radicals

Flash photolysis together with laser excitation of the product fragments was used in laboratory studies of cometary radicals. The LIPS method has been applied to the CN radical to determine: (1) Radiative lifetimes of individual rotational levels in the zeroth vibrational level of the B state; (2) energy partitioning during photodissociation of C2N2; and (3) vibrational and rotational excitation during formation of CN radicals in the photodissociation of dicyanoacetylene.

Jackson, W. M.↗
NASA NTRS1983

Experimental modal analysis

Experimental modal analysis is extremely important with regard to verification of analytical models, identification of vibration and acoustic problems, and structural modification and sensitivity analysis. With the expanding access of the testing environment to computational power, the complexity of existing approaches, as well as the development of new approaches, to the estimation of modal parameters has grown tremendously. Currently, the state of the art in experimental modal analysis involves methods that can be grouped in four categories: forced normal mode excitation method, frequency response function method, damped complex exponential function method, and mathematical input-output model methods. The theoretical basis of each of these general approaches, with appropriate references, is reviewed briefly.

Allemang, R. J.↗
NASA NTRS1988

Theoretical study of the scandium and yttrium halides

The X1Sigma(+) ground states and a3Delta excited states of the diatomic halides of Sc and Y are characterized theoretically, using the SDCI coupled-pair functional method and the state-averaged CASSCF method to determine the spectroscopic constants and related properties. The techniques employed are discussed, and the results are presented in extensive tables. The dissociation energies are given as D0 = 6.00 eV for ScF, 4.55 eV for ScCl, 3.90 eV for ScBr, 6.72 eV for YF, 5.36 eV for YCl, and 4.74 eV for YBr.

Langhoff, Stephen R.↗
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 NTRS1988

The equation of state for stellar envelopes. II - Algorithm and selected results

A free-energy-minimization method for computing the dissociation and ionization equilibrium of a multicomponent gas is discussed. The adopted free energy includes terms representing the translational free energy of atoms, ions, and molecules; the internal free energy of particles with excited states; the free energy of a partially degenerate electron gas; and the configurational free energy from shielded Coulomb interactions among charged particles. Internal partition functions are truncated using an occupation probability formalism that accounts for perturbations of bound states by both neutral and charged perturbers. The entire theory is analytical and differentiable to all orders, so it is possible to write explicit analytical formulas for all derivatives required in a Newton-Raphson iteration; these are presented to facilitate future work. Some representative results for both Saha and free-energy-minimization equilibria are presented for a hydrogen-helium plasma with N(He)/N(H) = 0.10. These illustrate nicely the phenomena of pressure dissociation and ionization, and also demonstrate vividly the importance of choosing a reliable cutoff procedure for internal partition functions.

Mihalas, Dimitri↗
NASA NTRS1991

Excitation of millimeter and submillimeter water masers

The excitation of maser emission in millimeter and submillimeter transitions of interstellar and circumstellar water is considered. An escape probability method is used to determine the equilibrium populations in 349 rotational states of both ortho- and para-water under varying conditions of gas temperature, density, water abundance, and radiation field. It is shown that, under those conditions believed to prevail around late-type stars and within star-forming regions, strong millimeter and submillimeter water maser emission can be generated by collisional excitations by H2. Several maser transitions can have strengths close to that of the 22 GHz line. The water maser line which can be observed from mountaintop facilities and those which will require air- or space-borne platforms are indicated. The exact portion of parameter space in which each maser transition exhibits peak emission is shown.

Neufeld, David A.↗
NASA NTRS1986

A modified coupled pair functional approach

A modified coupled pair functional (CPF) method is presented for the configuration interaction problem that dramatically improves properties for cases where the Hartree-Fock reference configuration is not a good zeroth-order wave function description. It is shown that the tendency for CPF to overestimate the effect of higher excitations arises from the choice of the geometric mean for the partial normalization denominator. The modified method is demonstrated for ground state dipole moment calculations of the NiH, CuH, and ZnH transition metal hydrides, and compared to singles-plus-doubles configuration interaction and the Ahlrichs et al. (1984) CPF method.

Chong, D. P.↗
NASA NTRS1997

AB Initio Study of the Structure and Spectroscopic Properties of Halogenated Thioperoxy Radicals

Thioperoxy (XSO or XOS) radicals exist in a variety of chemical environments, and they have as a consequence drawn some interest. HSO, an important species in the chemistry of the troposphere, has been examined both experimentally. The halogenated (X = F, Cl or Br) peroxy species and isovalent thioperoxy species have been studied less, but they too are potentially interesting because oxidized sulfur species and halogen sources are present in the atmosphere. Learning the fate of XSO and XOS radicals is important to understanding the atmospheric oxidation chemistry of sulfur compounds. Of these, FSO and ClSO are particularly interesting because they have been directly detected spectroscopically. Recent studies in our laboratory on the photochemistry of thionyl halides (X2SO; where X = F or Cl) have suggested new ways to generate XSO species. The laser-induced photodissociation of thionyl fluoride, F2SO, at 193 nm and thionyl chloride, ClSO, at 248 nm is characterized by a radical mechanism, X2SO -> XSO + X. The structure of FSO has been characterized experimentally by Endo et cd. employing microwave spectroscopy. Using the unrestricted Hartree-Fock (UHF) self-consistent field (SCF) method, Sakai and Morokuma computed the electronic structure of the ground (sup 2)A" and the first excited (sup 2)A' states of FSO. Electron correlation was not taken into account in their study. In a laser photodissociation experiment, Huber et al. identified ClSO mass spectromctrically. ClSO has also been detected in low temperature matrices by EPR and in the gas phase by far IR laser magnetic resonance. Although the structure of FSO is known in detail, the only study, experimental or theoretical, of CISO has been an ab initio HFSCF study by Hinchliffe. Electron correlation corrections were also excluded from this study. In order to better understand the isomerization and dissociation dynamics of the radical species, we have performed ab initio correlated studies of the potential energy surfaces (PES) of ClSO and its isomer ClOS at the QCISD(T)/6-31 G* level of theory. For FSO and FOS, more extensive QCISD/6-31 1G(2df) calculations have been possible, and the results are summarized here.

Munoz, Luis A.↗
NASA NTRS1991

A flowfield coupled excitation and radiation model for nonequilibrium reacting flows

A second-order method is developed to correct a radiative transfer analysis for possible local thermodynamic nonequilibrium (LTNE) effects. It uses a two-species excitation model for nitrogen with chemical raction rates obtained from the Kunc and Soon (1989) atomic transition method. A vibrational energy equation is added to calculate a third temperature, which describes the average vibrational energy state of all the diatomic species. A new diffusional model is developed to improve the calculation of the diffusional fluxes of mass and energy, and second-order radiative correction factors are developed for a two-step excitation model for atomic nitrogen. Radiation reaching the wall with the second-order LTNE model shows a greater IR-line contribution and less UV-line center absorption than the first-order one.

Gally, Thomas A.↗
NASA NTRS1993

A new method for the calculation of photodissociation cross sections

A time-independent quantum mechanical approach to the calculation of photodissociation cross sections is developed. The method is based on the use of a discrete variable representation and the application of absorbing boundary conditions. Both total photodissociation cross sections and partial cross sections (hence product state distributions) are obtained using the same basic technique, but the calculation is particularly efficient when only the former quantity is required. The method is applied to the photodissociation of HCl(+) for which accurate potential energy curves and dipole moment functions are available, to the photodissociation of ClCN which is a direct process, involving a single excited electrosonic state, and to the photodissociation of ICN, which involves several strongly coupled excited electronic states.

Seideman, Tamar↗