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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Production of soft X-ray emitting slow multiply charged ions - Recoil ion spectroscopy

S ions with a mean charge state of about 14+ and Cl ions with a mean charge state of 12+ were used to study Ne L-shell vacancy production. The ions caused copious production of NeII-NeVIII excited states with approximately 10 to the minus 18 sq cm cross sections. The induced recoil velocities might have application to a significantly higher resolution spectroscopy than is possible with beam-foil methods.

Sellin, I. A.↗
NASA NTRS1986

Optical model calculations of heavy-ion target fragmentation

The fragmentation of target nuclei by relativistic protons and heavy ions is described within the context of a simple abrasion-ablation-final-state interaction model. Abrasion is described by a quantum mechanical formalism utilizing an optical model potential approximation. Nuclear charge distributions of the excited prefragments are calculated by both a hypergeometric distribution and a method based upon the zero-point oscillations of the giant dipole resonance. Excitation energies are estimated from the excess surface energy resulting from the abrasion process and the additional energy deposited by frictional spectator interactions of the abraded nucleons. The ablation probabilities are obtained from the EVA-3 computer program. Isotope production cross sections for the spallation of copper targets by relativistic protons and for the fragmenting of carbon targets by relativistic carbon, neon, and iron projectiles are calculated and compared with available experimental data.

Townsend, L. W.↗
NASA NTRS1993

Structure and thermochemistry of ClO2 radicals

The structure of ClO2 has been calculated for the X 2A-double prime ground state using unrestricted Hartree-Fock (UHF), unrestricted second-order Moller-Plesset perturbation (UMP2), configuration interaction employing single and double excitation (CISD), and quadratic configuration interaction (QCI) ab initio molecular orbital methods. Calculations using UMP2 and CISD wave functions predict a ClO bond length of 1.728 +/- 0.01 A. The single-configuration-based QCI in the singles and doubles space with perturbation inclusion of triple substitutions, denoted QCISD(T), yield a ClO bond length of 2.205 A. The QCI results are consistent with results of Jensen (1990) who showed that the ClO bond length is 2.181 A using annihilated self-consistent methods (AUMP2). The thermochemistry of ClO2 radical has been calculated using MP2 and QCI methods employing an isodesmic scheme. Our scheme predicts the heat of formation for ClO2 at 0 K to be 24.6 +/- 2 kcal/mol.

Francisco, J. S.↗
NASA NTRS1995

The Heat of Formation of HNO

The HNO molecule is of interest in both combustion and atmospheric chemistry. For example, Guadagnini et al. have recently presented ab initio potential energy surfaces for the three lowest lying electronic states of HNO and then used these in examining several chemical reactions that take place in the combustion of nitrogen containing fuels and in the oxidation of atmospheric nitrogen. We have previously studied the ground state potential energy surface (i.e., stationary points along the HNO reversible reaction HON path), vibrational spectrum (using an accurate quartic force field), zero-point energy, and bonding of HNO using coupled-cluster ab initio methods. HNO is also very interesting because of the unique nature of its bonding characteristics. That is, the potential energy surface is very flat along the H-N bonding coordinate thereby giving unusual harmonic and fundamental vibrational frequencies, and the H-N bond energy is rather weak in comparison to other H-N bond energies. In fact, using experimental heats of formation for HNO, H, and NO, the H- bond energy is computed to be only 49.9 kcal/ mol (298 K). However, ab initio calculations of isodesmic reaction energies involving HNO, FNO, ClNO, and several other molecules have shown that there is an inconsistency in the experimental heats of formation of the XNO (X double bond H, F, and Cl) species. Hence the motivation for this study was to determine a very accurate (Delta)H(sub f, sup o) value for HNO using state-of-the-art ab initio methods. Based on many recent studies it is evident that the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, denoted CCSD(T), in conjunction with large one-particle basis sets should be reliable to better than +/- 0.8 kcal/mol for this quantity. The computational methodology is described in the next section followed by our results and discussion. Conclusions are presented in the final section.

Lee, Timothy J.↗
NASA NTRS2011

Ares I-X Flight Test Validation of Control Design Tools in the Frequency-Domain

A major motivation of the Ares I-X flight test program was to Design for Data, in order to maximize the usefulness of the data recorded in support of Ares I modeling and validation of design and analysis tools. The Design for Data effort was intended to enable good post-flight characterizations of the flight control system, the vehicle structural dynamics, and also the aerodynamic characteristics of the vehicle. To extract the necessary data from the system during flight, a set of small predetermined Programmed Test Inputs (PTIs) was injected directly into the TVC signal. These PTIs were designed to excite the necessary vehicle dynamics while exhibiting a minimal impact on loads. The method is similar to common approaches in aircraft flight test programs, but with unique launch vehicle challenges due to rapidly changing states, short duration of flight, a tight flight envelope, and an inability to repeat any test. This paper documents the validation effort of the stability analysis tools to the flight data which was performed by comparing the post-flight calculated frequency response of the vehicle to the frequency response calculated by the stability analysis tools used to design and analyze the preflight models during the control design effort. The comparison between flight day frequency response and stability tool analysis for flight of the simulated vehicle shows good agreement and provides a high level of confidence in the stability analysis tools for use in any future program. This is true for both a nominal model as well as for dispersed analysis, which shows that the flight day frequency response is enveloped by the vehicle s preflight uncertainty models.

Johnson, Matthew↗
NASA NTRS1991

Theoretical molecular studies of astrophysical interest

When work under this grant began in 1974 there was a great need for state-to-state collisional excitation rates for interstellar molecules observed by radio astronomers. These were required to interpret observed line intensities in terms of local temperatures and densities, but, owing to lack of experimental or theoretical values, estimates then being used for this purpose ranged over several orders of magnitude. A problem of particular interest was collisional excitation of formaldehyde; Townes and Cheung had suggested that the relative size of different state-to-state rates (propensity rules) was responsible for the anomalous absorption observed for this species. We believed that numerical molecular scattering techniques (in particular the close coupling or coupled channel method) could be used to obtain accurate results, and that these would be computationally feasible since only a few molecular rotational levels are populated at the low temperatures thought to prevail in the observed regions. Such calculations also require detailed knowledge of the intermolecular forces, but we thought that those could also be obtained with sufficient accuracy by theoretical (quantum chemical) techniques. Others, notably Roy Gordon at Harvard, had made progress in solving the molecular scattering equations, generally using semi-empirical intermolecular potentials. Work done under this grant generalized Gordon's scattering code, and introduced the use of theoretical interaction potentials obtained by solving the molecular Schroedinger equation. Earlier work had considered only the excitation of a diatomic molecule by collisions with an atom, and we extended the formalism to include excitation of more general molecular rotors (e.g., H2CO, NH2, and H2O) and also collisions of two rotors (e.g., H2-H2).

Flynn, George↗
NASA NTRS1977

Application of system identification to analytic rotor modeling from simulated and wind tunnel dynamic test data, part 2

An introduction to aircraft state and parameter identification methods is presented. A simplified form of the maximum likelihood method is selected to extract analytical aeroelastic rotor models from simulated and dynamic wind tunnel test results for accelerated cyclic pitch stirring excitation. The dynamic inflow characteristics for forward flight conditions from the blade flapping responses without direct inflow measurements were examined. The rotor blades are essentially rigid for inplane bending and for torsion within the frequency range of study, but flexible in out-of-plane bending. Reverse flow effects are considered for high rotor advance ratios. Two inflow models are studied; the first is based on an equivalent blade Lock number, the second is based on a time delayed momentum inflow. In addition to the inflow parameters, basic rotor parameters like the blade natural frequency and the actual blade Lock number are identified together with measurement bias values. The effect of the theoretical dynamic inflow on the rotor eigenvalues is evaluated.

Hohenemser, K. H.↗
NASA NTRS1981

Substructure program for analysis of helicopter vibrations

A substructure vibration analysis which was developed as a design tool for predicting helicopter vibrations is described. The substructure assembly method and the composition of the transformation matrix are analyzed. The procedure for obtaining solutions to the equations of motion is illustrated for the steady-state forced response solution mode, and rotor hub load excitation and impedance are analyzed. Calculation of the mass, damping, and stiffness matrices, as well as the forcing function vectors of physical components resident in the base program code, are discussed in detail. Refinement of the model is achieved by exercising modules which interface with the external program to represent rotor induced variable inflow and fuselage induced variable inflow at the rotor. The calculation of various flow fields is discussed, and base program applications are detailed.

Sopher, R.↗
NASA NTRS1990

An approximate method for the calculation of nonequilibrium radiative heat transfer

A simplified method for the calculation of radiative heat transfer in hypersonic reentry flows where local thermal nonequilibrium (LTNE) conditions exist is presented. This method has been incorporated into the computer code RADMC (RADiation/Modified Corrections), which utilizes an approximate 'two-state' model of the electronic levels of atoms and molecules in the determination of the populations of the excited states for both LTNE and local thermal equilibrium (LTE) conditions for each of the relevant chemical species. The population data are used to calculate a correction factor to the radiative cross sections in an eight-step nongray radiative heat-transfer model. Results have been obtained for various points along the proposed trajectory of the Aeroassist Flight Experiment and the Fire II trajectory, and compared with results obtained for the same flowfields from the NEQAIR radiative heat-transfer code.

Greendyke, Robert B.↗
NASA NTRS1995

The Heat of Formation of HNO

The HNO molecule is of interest in both combustion and atmospheric chemistry. For example, Guadagnini et al. have recently presented ab initio potential energy surfaces for the three lowest lying electronic states of HNO and then used these in examining several chemical reactions that take place in the combustion of nitrogen containing fuels and in the oxidation of atmospheric nitrogen. We have previously studied the ground state potential energy surface (i.e., stationary points along the HNO rev. reaction HON path), vibrational spectrum (using an accurate quartic force field), zero-point energy, and bonding of HNO using coupled-cluster ab initio methods. HNO is also very interesting because of the unique nature of its bonding characteristics. That is, the potential energy surface is very flat along the H-N bonding coordinate thereby giving unusual harmonic and fundamental vibrational frequencies, and the H-N bond energy is rather weak in comparison to other H-N bond energies. In fact, using experimental heats of formation for HO, H, and NO, the H- bond energy is computed to be only 49.9 kcal/ mol (298 K). However, ab initio calculations of isodesmic reaction energies involving HNO, FNO, ClNO, and several other molecules have shown that there is an inconsistency in the experimental heats of formation of the XNO (X=H, F, and Cl) species. Hence the motivation for this study was to determine a very accurate(DELTA)H(sup o)(sub f) value for HNO using state of-the-art ab initio methods. Based on many recent studies it is evident that the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, denoted CCSD(T), in conjunction with large one-particle basis sets should be reliable to better than +0.8 kcal/mol for this quantity. The computational methodology is described in the next section followed by our results and discussion. Conclusions are presented in the final section.

Lee, Timothy J.↗
NASA NTRS2000

Scientific Objectives of the Mars Surveyor 2001 Gamma-Ray Spectrometer

The Gamma-Ray Spectrometer (GRS) is one of the instruments on the Mars Surveyor 2001 Orbiter, which is part of NASA's Mars-Surveyor program. The GRS is really an instrument suite consisting of the GRS, a neutron spectrometer (NS), and a high-energy neutron detector (FIEND). Each of these instruments/sensors are remotely mounted at different locations on the spacecraft and connect to a central electronics box. The GRS will achieve global mapping of the elemental composition of the surface and the abundance of hydrogen in the shallow subsurface. It is an updated design using the same technology as the lost Mars Observer mission. The Martian surface is continuously bombarded by cosmic ray particles; their interactions with the constituents of the soil produces nuclear reaction cascades with fast neutrons being the main secondaries. Those neutrons interact in turn with the nuclei of the elements that make up the soil and they eventually get slowed to thermal energies. In this process they leave the nuclei in an excited state that decays via the emission of characteristic gamma rays. All these processes are precisely known and have been simulated by means of numerical models. Thus, remote gamma-ray spectroscopy is a useful method for quantitatively measuring the geochemical composition of the surface down to a few tens of g/sq cm. Additional information is contained in original extended abstract.

Boynton, W. V.↗
NASA NTRS2007

Electron-Molecule Col1isions: Quantitative Approaches, and the Legacy of Aaron Temkin

This article, on electron-molecule collisions, is dedicated to the legacy of my good friend and sometime collaborator, Aaron Temkin on his retirement from the NASA-Goddard Space Flight Center after many years of work at the highest intellectual level in the theoretical treatment of electron-atom and electron-molecule scattering. Aaron's contributions to the manner in which we think about electron-molecule collisions is clear to all of us who have worked in this field. I doubt that the great progress that has occurred in the computational treatment of such complex collision problems could have happened without these contributions. For a brief historical account, see the discussion of Temkin's contribution to electron-molecule scattering in the first article of this volume by Dr. A. K. Bhatia. In this article, I will concentrate on the application of the so called, non-adiabatic R-matrix theory, to vibrational excitation and dissociative attachment, although I will also present some results applying the Linear Algebraic and Kohn-Variational methods to vibrational excitation. As a starting point for almost all computationally effective approaches to electron-molecule collisions, is the fixed nuclei approximation. That is, one recognizes, just as one does with molecular bound states, that there is a separation of electronic(fast) and nuclear(s1ow) degrees of freedom. This separation makes it possible to "freeze" the nuclei in space, calculate the collision parameters for the frozen molecule and then, somehow to add back the vibrations and rotations. The manner in which this is done, depends on the details of the collision problem. It is the work of Aaron and a number of other researchers that has provided the guidance necessary to resolve these issues.

Schneider, B.I.↗
NASA NTRS2021

Synthesis and Characterization of Fe(III)-Fe(II)- Mg- Al Smectite Solid Solutions and Implications for Planetary Science

This study demonstrates the synergies and limits of multiple measurement types for the detection of smectite chemistry and oxidation state on planetary surfaces to infer past geochemical conditions. Smectite clay minerals are common products of water-rock interactions throughout the solar system, and their detection and characterization provides important clues about geochemical conditions and past environments if sufficient information about their composition can be discerned. Here, we synthesize and report on the spectroscopic properties of a suite of smectite samples that span the intermediate compositional range between Fe(II), Fe(III), Mg, and Al end-member species using bulk chemical analyses, X-ray diffraction, Vis/IR reflectance spectroscopy, UV and green-laser Raman spectroscopy, and Mössbauer spectroscopy. Our data show that smectite composition and the oxidation state of octahedral Fe can be reliably identified in the near infrared on the basis of combination and fundamental metal-OH stretching modes between 2.1–2.9 μm, which vary systematically with chemistry. Smectites dominated by Mg or Fe(III) have spectrally distinct fundamental and combination stretches, whereas Al-rich and Fe(II)-rich smectites have similar fundamental minima near 2.76 μm, but have distinct combination M-OH features between 2.24 and 2.36 μm. We show that with expanded spectral libraries that include intermediate composition smectites and both Fe(III) and Fe(II) oxidation states, more refined characterization of smectites from MIR data is now possible, as the position of the 450 cm–1 absorption shifts systematically with octahedral Fe content, although detailed analysis is best accomplished in concert with other characterization methods. Our data also provide the first Raman spectral libraries of smectite clays as a function of chemistry, and we demonstrate that Raman spectroscopy at multiple excitation wavelengths can qualitatively distinguish smectite clays of different structures and can enhance interpretation by other types of analyses. Our sample set demonstrates how X-ray diffraction can distinguish between dioctahedral and trioctahedral smectites using either the (02,11) or (06,33) peaks, but auxiliary information about chemistry and oxidation state aids in specific identifications. Finally, the temperature-dependent isomer shift and quadrupole splitting in Mössbauer data are insensitive to changes in Fe content but reliability differentiates Fe within the smectite mineral structure.

Valerie K Fox↗
NASA NTRS1992

Intense laser beams; Proceedings of the Meeting, Los Angeles, CA, Jan. 23, 24, 1992

Various papers on intense laser beams are presented. Individual topics addressed include: novel methods of copper vapor laser excitation, UCLA IR FEL, lasing characteristics of a large-bore copper vapor laser (CVL), copper density measurement of a large-bore CVL, high-power XeCl excimer laser, solid state direct-drive circuit for pumping gas lasers, united energy model for FELs, intensity and frequency instabilities in double-mode CO2 lasers, comparison of output power stabilities of CO and CO2 lasers, increasing efficiency of sealed-off CO lasers, thermal effects in singlet delta oxygen generation, optical extraction from the chemical oxygen-iodine laser medium, generation and laser diagnostic analysis of bismuth fluoride. Also discussed are: high-Q resonator design for an HF overtone chemical lasers, improved coatings for HF overtone lasers, scaled atmospheric blooming experiment, simulation on producing conjugate field using deformable mirrors, paraxial theory of amplitude correction, potential capabilities of adaptive optical systems in the atmosphere, power beaming research at NASA, system evaluations of laser power beaming options, performance projections for laser beam power to space, independent assessment of laser power beaming options, removal of atmospheric CFCs by lasers, efficiency of vaporization cutting by CVL.

Wade, Richard C.↗
NASA NTRS2007

Recent Enhancements to the Development of CFD-Based Aeroelastic Reduced-Order Models

Recent enhancements to the development of CFD-based unsteady aerodynamic and aeroelastic reduced-order models (ROMs) are presented. These enhancements include the simultaneous application of structural modes as CFD input, static aeroelastic analysis using a ROM, and matched-point solutions using a ROM. The simultaneous application of structural modes as CFD input enables the computation of the unsteady aerodynamic state-space matrices with a single CFD execution, independent of the number of structural modes. The responses obtained from a simultaneous excitation of the CFD-based unsteady aerodynamic system are processed using system identification techniques in order to generate an unsteady aerodynamic state-space ROM. Once the unsteady aerodynamic state-space ROM is generated, a method for computing the static aeroelastic response using this unsteady aerodynamic ROM and a state-space model of the structure, is presented. Finally, a method is presented that enables the computation of matchedpoint solutions using a single ROM that is applicable over a range of dynamic pressures and velocities for a given Mach number. These enhancements represent a significant advancement of unsteady aerodynamic and aeroelastic ROM technology.

Silva, Walter A.↗
NASA NTRS1986

Spectroscopic aspects of differential method for sounding gas composition of the atmosphere

The problems concerning the dynamics of populations of the sounded atmospheric gas molecule levels taking into account the nonmonochromatic character of radiation, durations of exciting and sounding pulses, rates of relaxation of excited vibration-rotation states population along different channels in a natural multicomponent mixture of gases and air were investigated. The problems of spectroscopic software, completeness and accuracy of the initial spectroscopic information, information on channels and rates of relaxation from the viewpoint of developing specific schemes of sounding are discussed. The values of deviations of vibration-rotation level populations of some atmospheric molecules from their equilibrium value at simultaneous action of double frequency radiation on the sounding path and the corresponding dynamic variation of lidar return amplitude were estimated. The importance of nonlinear spectrosopic effects in the lidar return value variation at sounding radiation frequency equaling the resonance frequency of vibration-rotation transition in the problem on sounding the humidity profiles and concentrations of gaseous pollutants was also estimated.

Zuev, V. V.↗
NASA NTRS1972

Analysis of the transient response of shell structures by numerical methods.

This paper examines some basic considerations underlying dynamic shell response analysis and the impact of these considerations upon the practical aspects of solution by numerical methods. Emphasis is placed on the solution of linear problems. The present states of development of the finite difference and finite element methods are reviewed, and techniques for the treatment of temporal variation are discussed. An examination is made of the frequency parameters characteristic of thin shell theory, applied excitations, and spatial mesh geometries, and the significance of these parameters with respect to computational convergence is illustrated.

Geers, T. L.↗
NASA NTRS1980

Modeling of a solar-pumped iodine laser

The direct conversion in space of solar radiation into laser radiation for power transmission to earth, satellites, or deep space probes shows promise as a reasonably simple technology and may have cost advantage in deployment and greater reliability compared to other methods of space power generation and transmission. The main candidates for solar pumping are the gas dynamic, photochemical, and direct photoexcited lasers. Here consideration is given to the photochemical reaction of alkyliodides which predominantly excite the I(2P1/2) state which then lases at 1.315 microns. The iodine ground state is eventually lost to reconstituting the gas or in the formation of molecular iodine. The rates at which the gas is required to be recycled through the laser system are modest. The side exposure at 100-fold solar concentration of a 100-m long tube with a 1 sq m cross section is estimated to provide 20 kW of continuous laser output. Scaling laws and optimum operating conditions of this system are discussed.

Wilson, J. W.↗