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At least 811 records · Page 45

Theoretical study of NH2 - Potential curves, transition moments, and photodissociation cross sections

Photodissociation cross sections from the ground state of NH2 have been calculated using a pseudodiatomic model. The potential curves needed in these calculations, functions of one NH bond length, were obtained by ab initio MCSCF calculations on the five lowest doublet states of NH2 using a contracted Gaussian basis set of double zeta quality augmented by polarization and Rydberg functions. Transition dipole moments between the ground and excited states were evaluated using MCSCF wave functions.

Saxon, R. P.↗

A model of the Schumann-Runge continuum of O2

Ab initio calculations of the B3Sigma sub u(-) potential energy curve of O2 are reported together with the transition moment connecting the B3Sigma sub u(-) and the ground electronic states. Photodissociation cross sections are presented over the wavelength region 127-152 nm. Small adjustments to the potential energy curve and the transition moment lead to a model of the absorption which agrees well with the experimental cross sections and which reproduces the structural features observed on the high-energy edge. The shoulder at 135.6 nm is attributed to the lowest 3Pi sub u state and the auxiliary maxima to transitions into the B3Sigma sub u(-) state.

Allison, A. C.↗

Transition correlations in three-dimensional boundary layers

The stability and transition characteristics of three-dimensional boundary-layer flows are examined. First, the flow over a rotating cone is considered computationally. An increase of stagnation temperature is found to be only slightly stabilizing. Parameter studies on the simple rotating-cone geometry provide a large database of three-dimensional boundary-layer profiles and associated stability characteristics. To determine the possibility of correlating transition location with parameters based purely on basic-state three-dimensional boundary-layer profile characteristics, an empirical transition location of N = 9 is assumed. Transition location does not correlate with the traditional crossflow Reynolds number. A more appropriate definition for crossflow Reynolds number is found and termed R(sub cf(new)). This new parameter appears to correlate for transition location when plotted against maximum crossflow velocity. Then, the flow over a yawed cone is considered experimentally. The correlation results obtained from the rotating-cone work are applied to the actual measured transition locations on two different yawed-cone models under various angle-of-attack conditions in two different experimental facilities and are verified. This correlation is only suggested as a tool for preliminary transition prediction and design in three-dimensional boundary layers; once a preliminary shape is selected, further linear stability theory or parabolized stability equation calculations are strongly urged.

Reed, Helen L.↗

Lightweight, Self-Deploying Foam Antenna Structures

Lightweight, deployable antennas for a variety of outer-space and terrestrial applications would be designed and fabricated according to the concept of cold hibernated elastic memory (CHEM) structures, according to a proposal. Mechanically deployable antennas now in use are heavy, complex, and unreliable, and they utilize packaging volume inefficiently. The proposed CHEM antenna structures would be simple and would deploy themselves without need for any mechanisms and, therefore, would be more reliable. The proposed CHEM antenna structures would also weigh less, could be packaged in smaller volumes, and would cost less, relative to mechanically deployable antennas. The CHEM concept was described in two prior NASA Tech Briefs articles: "Cold Hibernated Elastic Memory (CHEM) Expandable Structures" (NPO-20394), Vol. 23, No. 2 (February 1999), page 56; and "Solar Heating for Deployment of Foam Structures" (NPO-20961), Vol. 25, No. 10 (October 2001), page 36. To recapitulate from the cited prior articles: The CHEM concept is one of utilizing opencell foams of shape-memory polymers (SMPs) to make lightweight, reliable, simple, and inexpensive structures that can be alternately (1) compressed and stowed compactly or (2) expanded, then rigidified for use. A CHEM structure is fabricated at full size from a block of SMP foam in its glassy state [at a temperature below the glass-transition temperature (Tg) of the SMP]. The structure is heated to the rubbery state of the SMP (that is, to a temperature above Tg) and compacted to a small volume. After compaction, the structure is cooled to the glassy state of the SMP. The compacting force can then be released and the structure remains compact as long as the temperature is kept below Tg. Upon subsequent heating of the structure above Tg, the simultaneous elastic recovery of the foam and its shape-memory effect cause the structure to expand to its original size and shape. Once thus deployed, the structure can be rigidified by cooling below Tg. Once deployed and rigidified, the structure could be heated and recompacted. In principle, there should be no limit on the achievable number of compaction/deployment/ rigidification cycles. Thus far, several different designs of a 3.5-m-long CHEM conical corrugated horn antenna have been analyzed (see figure). A small CHEM structural antenna model was fabricated and a thin, electrically conductive layer of aluminum was deposited on the inner surface of the model. This structural model was then subjected to the compaction and deployment treatments described above to demonstrate the feasibility of a CHEM corrugated horn antenna.

Sokolowski, Witold↗

Quantifying Grassland-to-Woodland Transitions and the Implications for Carbon and Nitrogen Dynamics in the Southwest United States

Replacement of grasslands and savannas by shrublands and woodlands has been widely reported in tropical, temperate and high-latitude rangelands worldwide (Archer 1994). These changes in vegetation structure may reflect historical shifts in climate and land use; and are likely to influence biodiversity, productivity, above- and below ground carbon and nitrogen sequestration and biophysical aspects of land surface-atmosphere interactions. The goal of our proposed research is to investigate how changes in the relative abundance of herbaceous and woody vegetation affect carbon and nitrogen dynamics across heterogeneous savannas and shrub/woodlands. By linking actual land-cover composition (derived through spectral mixture analysis of AVIRIS, TM, and AVHRR imagery) with a process-based ecosystem model, we will generate explicit predictions of the C and N storage in plants and soils resulting from changes in vegetation structure. Our specific objectives will be to (1) continue development and test applications of spectral mixture analysis across grassland-to-woodland transitions; (2) quantify temporal changes in plant and soil C and N storage and turnover for remote sensing and process model parameterization and verification; and (3) couple landscape fraction maps to an ecosystem simulation model to observe biogeochemical dynamics under changing landscape structure and climatological forcings.

Wessman, Carol A.↗

Topics in atomic hydrogen standard research and applications

Hydrogen maser based frequency and time standards have been in continuous use at NASA tracking stations since February 1970, while laboratory work at Goddard has continued in the further development and improvement of hydrogen masers. Concurrently, experimental work has been in progress with a new frequency standard based upon the hydrogen atom using the molecular beam magnetic resonance method. Much of the hydrogen maser technology is directly applicable to the new hydrogen beam standard, and calculations based upon realistic data indicate that the accuracy potential of the hydrogen atomic beam exceeds that of either the cesium beam tube or the hydrogen maser, possibly by several orders of magnitude. In addition, with successful development, the hydrogen beam standard will have several other performance advantages over other devices, particularly exceptional stability and long continuous operating life. Experimental work with a new laboratory hydrogen beam device has recently resulted in the first resonance transition curves, measurements of relative state populations, beam intensities, etc. The most important aspects of both the hydrogen maser and the hydrogen beam work are covered.

Peters, H. E.↗

The calculation of neutron capture gamma-ray yields for space shielding applications

The application of nuclear models to the calculation of neutron capture and inelastic scattering gamma yields is discussed. The gamma ray cascade model describes the cascade process in terms of parameters which either: (1) embody statistical assumptions regarding electric and magnetic multipole transition strengths, level densities, and spin and parity distributions or (2) are fixed by experiment such as measured energies, spin and parity values, and transition probabilities for low lying states.

Yost, K. J.↗

Photoemission from CsI - Calculation.

Calculations of optical and photoemission spectra for CsI based on first-order allowed transitions between Bloch-wave states are discussed. The calculations, utilizing energy-band data for CsI published by Onodera (1968), were performed by computer sampling of regions in the Brillouin zone. The photoelectric spectra of CsI, calculated on the basis of an interpolated band scheme, display features which are in general agreement with the experimentally determined photoelectric energy distribution curves.

Distefano, T. H.↗

Thermoelastic constitutive equations for chemically hardening materials

Thermoelastic constitutive equations are derived for a material undergoing solidification or hardening as the result of a chemical reaction. The derivation is based upon a two component model whose composition is determined by the degree of hardening, and makes use of strain-energy considerations. Constitutive equations take the form of stress rate-strain rate relations, in which the coefficients are time-dependent functions of the composition. Specific results are developed for the case of a material of constant bulk modulus which undergoes a transition from an initial liquidlike state into an isotropic elastic solid. Potential applications are discussed.

Shaffer, B. W.↗

The electrical and magnetic properties of /TTF//I/-sub 0.71

The synthesis and transport properties of the salts (TTF) (iodine)-sub x have been investigated. These salts are quasi-one-dimensional compounds containing cation radicals only, in contrast to the cation radical-anion radical systems such as (TTF)(TCNQ). The phase diagram of (TTF)(I)-sub x is discussed, and found to consist of two nonconducting, stoichiometric phases, x = 2.0 and 3.0, and two conducting, nonstoichiometric phases, x = 0.71 and 2.3. The transport properties of (TTF)(I)-sub 0.71 are discussed in detail. This phase is highly conducting, undergoes a sharp transition to a less conducting state at 210 K, and exhibits an unusual hysteresis in some of the transport properties upon thermal cycling. The nature of the high-temperature ground state is examined.

Somoano, R. B.↗

Minima in generalized oscillator strengths for initially excited hydrogen-like atoms

Generalized oscillator strengths for transitions from an initially excited state of a hydrogenic atom to final states (either discrete or continuum) have complicated structures, including minima and shoulders, as functions of the momentum transfer. Extensive calculations carried out in the present work have revealed certain systematics of these structures. Some implications of the minima to the energy dependence of the inner-shell ionization cross section of heavy atoms by proton impact are discussed.

Matsuzawa, M.↗

The influence of autoionization accompanied by excitation on the dielectronic recombination and the ionization equilibrium of silicon ions

The dielectronic recombination rate coefficients have been calculated for the various ionization stages of silicon. Account has been taken of all stabilizing radiative transitions and all autoionization processes which involve a single-electron electric-dipole transition of the recombining ion core. For certain ions the dielectronic recombination rates, although still larger than the direct radiative recombination rates, are found to be substantially reduced when account is taken of the effects of a previously neglected autoionization process in which the excited recombining ion core undergoes a delta n = 0 transition to a lower excited state. The temperatures at which these ions have their maximum abundance in corona equilibrium are significantly reduced when use is made of the new dielectronic recombination rates. Calculations are also presented for the total rates of radiative energy loss from isothermal steady-state plasmas due to the line and continuum emission of silicon ions.

Jacobs, V. L.↗

Comment on the relation between the nonadiabatic coupling and the complex intersection of potential energy curves

Simple relations are discussed that provide a correspondence between the complex intersection of two potential surfaces and the nonadiabatic coupling matrix element between those surfaces. These are key quantities in semiclassical and quantum-mechanical theories of collision-induced electronic transitions. Within the two-state approximation, the complex intersection is shown to be directly related to the location and magnitude of the peak in the nonadiabatic coupling. Two cases have been considered: (1) the avoided crossing between two potential surfaces, and (2) the spin-orbit interaction due to a 2P halogen atom. Comparisons are made between the results of the two-state model and the results of ab initio quantum chemical calculations.

Jaffe, R. L.↗

On reliable control system designs

A mathematical model for use in the design of reliable multivariable control systems is discussed with special emphasis on actuator failures and necessary actuator redundancy levels. The model consists of a linear time invariant discrete time dynamical system. Configuration changes in the system dynamics are governed by a Markov chain that includes transition probabilities from one configuration state to another. The performance index is a standard quadratic cost functional, over an infinite time interval. The actual system configuration can be deduced with a one step delay. The calculation of the optimal control law requires the solution of a set of highly coupled Riccati-like matrix difference equations. Results can be used for off-line studies relating the open loop dynamics, required performance, actuator mean time to failure, and functional or identical actuator redundancy, with and without feedback gain reconfiguration strategies.

Birdwell, J. D.↗

Isothermal-desorption-rate measurements in the vicinity of the Curie temperature for H2 chemisorbed on nickel films

Measurements of the isothermal desorption rate of H2 chemisorbed onto polycrystalline nickel films made for temperatures spanning the Curie temperature of the nickel film are presented. Desorption kinetics were followed by measuring the decay of the change in resistance of the nickel film brought about by hydrogen chemisorption after gas-phase H2 had been rapidly evacuated. The desorption rate is found to undergo an anomalous decrease in the vicinity of the Curie temperature, accompanied by an increase in the desorption activation energy and the equilibrium constant for the chemisorbed hydrogen. The results are interpreted in terms of anomalous variations in rate constants for the formation of the precursor molecular adsorbed state and the chemisorbed atomic state due to the phase transition in the nickel. The changes in rate constants are also considered to be in qualitative agreement with theoretical predictions based on a spin coupling between the adatom and the magnetic substrate.

Shanabarger, M. R.↗

The O II /7320-7330 A/ airglow - A morphological study

A statistical study of the 7320-30 A airglow arising from the metastable transition between aP and aD states of atomic oxygen ions was conducted by analyzing the data taken from the visible airglow experiment on the Atmosphere Explorer satellites C and E during the time periods between 1974 and 1979. Averaged column emission rate profiles as a function of solar zenith angle and solar activity variation are presented. The galactic background has been carefully subtracted. The result shows that the rate of decreasing emission as a function of solar zenith angle agrees with the theoretical calculation based upon a neutral atmosphere model and the solar spectrum as measured by the EUV spectrometer on the Atmosphere Explorer satellite. Furthermore, an expected increase with solar activity also appeared in a plot of emission brightness versus solar 10.7-cm flux.

Yee, J. H.↗

Infrared absorption by OH containing compounds

The spectroscopy of the species H2O, H2O2, and HO2 are discussed. Their vibration rotation transitions are emphasized, but the pure rotational transitions in the vibrational ground state of H2O are also considered since they contribute to opacity in the middle infrared region.

Hillman, J. J.↗