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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Atom beam surface interaction studies: Experimental system development

Quantitative deposition by standard techniques of adsorbates containing C and Si onto selected substrates is studied. The interaction kinetics of a beam of oxygen, nitrogen, or hydrogen atoms of known flux are investigated by Auger electron spectroscopy and LEED. Desborbed molecules will be analyzed by mass spectroscopy using modulated beam techniques. Experimental conditions permitting, two sets of measurements will be correlated.

Gregory, J. C.↗
NASA NTRS1987

Implementation and validation of a wake model for vortex-surface interactions in low speed forward flight

The wake model was implemented using a VAX 750 and a Microvax II workstation. Online graphics capability using a DISSPLA graphics package. The rotor model used by Beddoes was significantly extended to include azimuthal variations due to forward flight and a simplified scheme for locating critical points where vortex elements are placed. A test case was obtained for validation of the predictions of induced velocity. Comparison of the results indicates that the code requires some more features before satisfactory predictions can be made over the whole rotor disk. Specifically, shed vorticity due to the azimuthal variation of blade loading must be incorporated into the model. Interactions between vortices shed from the four blades of the model rotor must be included. The Scully code for calculating the velocity field is being modified in parallel with these efforts to enable comparison with experimental data. To date, some comparisons with flow visualization data obtained at Georgia Tech were performed and show good agreement for the isolated rotor case. Comparison of time-resolved velocity data obtained at Georgia Tech also shows good agreement. Modifications are being implemented to enable generation of time-averaged results for comparison with NASA data.

Komerath, Narayanan M.↗
NASA NTRS1989

Theoretical investigation of gas-surface interactions

Four reprints are presented from four projects which are to be published in a refereed journal. Two are of interest to us and are presented herein. One is a description of a very detailed theoretical study of four anionic hydrogen bonded complexes. The other is a detailed study of the first generally reliable diagnostic for determining the quality of results that may be expected from single reference based electron correlation methods.

Lee, Timothy J.↗
NASA NTRS1990

Laser surface interactions of high-T(sub c) superconductors

During the past two years, one of the most exciting research fields in science has been the study of the newly discovered high-T(sub c) metal oxide superconductors. Although many theoretical models were proposed, there is no general agreement on any theory to explain these materials. One of the peculiar features of these high-T(sub c) materials is the noninteger number of oxygen atoms. The oxygen content is extremely critical to the superconductive properties. Take YBa2Cu3O(7-x) as an example. Its superconductive properties disappear whenever x is larger than 0.5. The existence of Cu(+ 3) was considered to account for x less than 0.5. However, results from mass spectroscopy of laser desorbed species indicate that significant quantities of oxygen molecules are trapped in the bulk of these high-T(sub c) superconductors. It appears that these trapped oxygen molecules may play key roles in superconductive properties. Preparation of superconductive thin films are considered very important for the applications of these new superconductors for the electronics industry. Fluorescence spectra and ion spectra following laser ablation of high-temperature superconductors were obtained. A real time monitor for preparation of superconductive thin films can possibly be developed.

Chen, C. H.↗
NASA NTRS1990

Theoretical investigation of gas-surface interactions

A Dirac-Hartree-Fock code was developed for polyatomic molecules. The program uses integrals over symmetry-adapted real spherical harmonic Gaussian basis functions generated by a modification of the MOLECULE integrals program. A single Gaussian function is used for the nuclear charge distribution, to ensure proper boundary conditions at the nuclei. The Gaussian primitive functions are chosen to satisfy the kinetic balance condition. However, contracted functions which do not necessarily satisfy this condition may be used. The Fock matrix is constructed in the scalar basis and transformed to a jj-coupled 2-spinor basis before diagonalization. The program was tested against numerical results for atoms with a Gaussian nucleus and diatomic molecules with point nuclei. The energies converge on the numerical values as the basis set size is increased. Full use of molecular symmetry (restricted to D sub 2h and subgroups) is yet to be implemented.

Dyall, Kenneth G.↗
NASA NTRS1991

Laser surface interaction of high-Tc superconductors

During the past two years, one of the most exciting research fields in science has been the study of the newly discovered high-T(sub c) metal oxide superconductors. Although many theoretical models were proposed, there is no general agreement on any theory to explain these materials. One of the peculiar features of these high-T(sub c) materials is the noninteger number of oxygen atoms. The oxygen content is extremely critical to the superconductive properties. Take YBa2Cu3O(7-x) as an example. Its superconductive properties disappear whenever x is larger than 0.5. The existence of Cu(+ 3) was considered to account for x less than 0.5. However, results from mass spectroscopy of laser desorbed species indicate that significant quantities of oxygen molecules are trapped in the bulk of these high-T(sub c) superconductors. It appears that these trapped oxygen molecules may play key roles in superconductive properties. Preparation of superconductive thin films are considered very important for the applications of these new superconductors for the electronics industry. Fluorescence spectra and ion spectra following laser ablation of high-temperature superconductors were obtained. A real time monitor for preparation of superconductive thin films can possibly be developed.

Chen, C. H.↗
NASA NTRS1992

Theoretical investigation of gas-surface interactions

The investigation into the appearance of intruder states from the negative continuum when some of the two-electron integrals were omitted was completed. The work shows that, provided all integrals involving core contracted functions in an atomic general contraction are included, or that the core functions are radially localized, meaningful results are obtained and intruder states do not appear. In the area of program development, the Dirac-Hartree-Fock (DHF) program for closed-shell polyatomic molecules was extended to permit Kramers-restricted open-shell DHF calculations with one electron in an open shell or one hole in a closed shell, or state-averaged DHF calculations over several particle or hole doublet states. One application of the open-shell code was to the KO molecule. Another major area of program development is the transformation of integrals from the scalar basis in which they are generated to the 2-spinor basis employed in parts of the DHF program, and hence to supermatrix form. Particularly concerning the omission of small component integrals, and with increase in availability of disk space, it is now possible to consider transforming the integrals. The use of ordered integrals, either in the scalar basis or in the 2-spinor basis, would considerably speed up the construction of the Fock matrix, and even more so if supermatrices were constructed. A considerable amount of effort was spent on analyzing the integral ordering and tranformation for the DHF program. The work of assessing the reliability of the relativistic effective core potentials (RECPs) was continued with calculation of the group IV monoxides. The perturbation of the metal atom provided by oxygen is expected to be larger than that provided by hydrogen and thus provide a better test of the qualification of the RECPs. Calculations on some platinum hydrides were carried out at nonrelativistic (NR), perturbation theory (PT) and DHF levels. Reprints of four papers describing this work are included.

Dyall, Kenneth G.↗
NASA NTRS1992

Land surface interaction

The topics covered include the following: land and climate modeling; sensitivity studies; the process of a land model; model-specific parameterizations; water stress; within-canopy resistances; partial vegetation; canopy temperature; and present experience with a land model coupled to a general circulation model.

Dickinson, Robert E.↗
NASA NTRS1999

Interacting Surfaces and Atmospheres in the Outer Solar System

The work reported here is an extension of ongoing efforts in data reduction and modeling of the spectral reflectances of several objects in the outer Solar System. In general terms, this requires an evaluation of the data obtained at the telescope, conversion of those data into geometric albedo units, and the combination of individual spectrum segments into a complete spectrum over the wavelength interval of interest. The modeling effort to produce a synthetic spectrum of a given Solar System object requires the complex refractive indices (the optical constants) of candidate surface materials, including ices, minerals, and organic solids. Those indices are primarily available only through contacts with other researchers, including colleagues at NASA Ames and at other institutions. Once obtained, the indices must be convolved with the telescopic data and then used in a computational model to produce the required synthetic spectrum for comparison with the data obtained at the telescope. In this way, we reach a convergence on the chemical composition and microstructural properties of the surfaces of objects in the outer Solar System.

DalleOre, Cristina↗