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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Ab initio calculation of infrared intensities for hydrogen peroxide

Results of an ab initio SCF quantum mechanical study are used to derive estimates for the infrared intensities of the fundamental vibrations of hydrogen peroxide. Atomic polar tensors (APTs) were calculated on the basis of a 4-31G basis set, and used to derive absolute intensities for the vibrational transitions. Comparison of the APTs calculated for H2O2 with those previously obtained for H2O and CH3OH, and of the absolute intensities derived from the H2O2 APTs with those derived from APTs transferred from H2O and CH3OH, reveals the sets of values to differ by no more than a factor of two, supporting the validity of the theoretical calculation. Values of the infrared intensities obtained correspond to A1 = 14.5 km/mol, A2 = 0.91 km/mol, A3 = 0.058 km/mol, A4 = 123 km/mol, A5 = 46.2 km/mol, and A6 = 101 km/mol. Charge, charge flux and overlap contributions to the dipole moment derivatives are also computed.

Rogers, J. D.↗
NASA NTRS1982

Implementation of structural response sensitivity calculations in a large-scale finite-element analysis system

The methodology used to implement structural sensitivity calculations into a major, general-purpose finite-element analysis system (SPAR) is described. This implementation includes a generalized method for specifying element cross-sectional dimensions as design variables that can be used in analytically calculating derivatives of output quantities from static stress, vibration, and buckling analyses for both membrane and bending elements. Limited sample results for static displacements and stresses are presented to indicate the advantages of analytically calculating response derivatives compared to finite difference methods. Continuing developments to implement these procedures into an enhanced version of SPAR are also discussed.

Giles, G. L.↗
NASA NTRS1982

Finite volume calculation of three-dimensional potential flow around a propeller

The finite volume scheme of Jameson (1977) is used to calculate potential flow around a propeller rotating at high speed. An H-type mesh is generated and used successfully in the calculations. A test calculation with a thick blade cross section shows that the present code is capable of computing the propeller flow at the advance Mach number 0.8. The possible physical mechanisms which may play an important role in the propeller aerodynamics are discussed.

Jou, W.-H.↗
NASA NTRS1981

Multi-ring basin formation - Possible clues from impact cratering calculations

Finite difference continuum mechanics code calculations make it possible to vary the controlling variables in an impact event and to determine basic trends at scales unavailable to experimental analysis. Orphal et al. (1980) have summarized the results of a pair of such calculations for identical projectile/target characteristics but different impact velocities. One calculation considered a relatively low velocity iron impactor (5 km/s); the other, a high velocity iron impactor (15.8 km/s). The primary purpose was to investigate the generation and transport of impact melt for the two impact energies. Attention is given to crater growth, crater ejecta, and possible implications for basin-size events. Based on extrapolations, a new scenario is proposed. The scenario incorporates elements of several existing basin models.

Schultz, P. H.↗
NASA NTRS1982

Calculation of vortex flows on complex configurations

The calculation of aerodynamic characteristics of complex configurations having strongly coupled vortex flows is a non-linear problem requiring iterative solution techniques. This paper discusses the use of a low-order panel method as a means of obtaining practical solutions to such problems. The panel method is based on piecewise constant source and doublet quadrilateral panels and uses the internal Dirichlet boundary condition of zero perturbation potential. The problems of predicting vortex/surface interaction and vortex separation are discussed. Some example calculations are included but further test cases have yet to be carried out, in particular for comparisons with experimental data. The problem of convergence on the iterative calculation for the shape of the free vortex sheet is addressed and a preprocessor routine, based on an unsteady, two-dimensional version of the panel method, is put forward as a cost-effective way of generating an initial vortex structure for use as a starting solution for general configurations.

Maskew, B.↗
NASA NTRS1982

Ab initio calculation of infrared intensities for the linear isoelectronic series HCN, HNC, CO, HCO/+/, and HOC/+/

Ab initio infrared intensities and dipole moment derivatives expressed in atomic polar tensor form are calculated using the 4-31 and 6-31G(double asterisk) basis sets for the isoelectronic HCN, HNC, CO, HCO(+), and HOC(+) series of molecules. The calculated atomic polar tensors are analyzed in terms of the charge-charge flux-overlap model, which is found to be useful in explaining some of the trends observed in the dipole moment derivatives for this series of molecules. A detailed examination of the dipole moment derivatives for the structural isomers indicates some of the ways in which experimental atomic polar tensors for one isomer should be modified to predict infrared intensities for the other isomer. The absolute intensities calculated for the HCO(+) and HOC(+) ions are believed to be accurate to within a factor of 2 and thus should be useful in astrophysical applications.

Rogers, J. D.↗
NASA NTRS1982

Approximate Method of Calculating Heating Rates at General Three-Dimensional Stagnation Points During Atmospheric Entry

An approximate method for calculating heating rates at general three dimensional stagnation points is presented. The application of the method for making stagnation point heating calculations during atmospheric entry is described. Comparisons with results from boundary layer calculations indicate that the method should provide an accurate method for engineering type design and analysis applications.

Hamilton, H. H., II↗
NASA NTRS1983

Unsteady laminar boundary-layer calculations on oscillating configurations including backflow. Part 1: Flat plate, oscillating in its own plane

A finite difference method has been developed to calculate the unsteady boundary layer over an oscillating flat plate. Low- and high frequency approximations were used for comparison with numerical results. Special emphasis was placed on the behavior of the flow and on the numerical calculation procedure as soon as reversed flow has occurred over part of the oscillation cycle. The numerical method displayed neither problems nor singular behavior at the beginning of or within the reversed flow region. Calculations, however, came to a limit where the back-flow region reached the plate's leading edge in the case of high oscillation amplitudes. It is assumed that this limit is caused by the special behavior of the flow at the plate's leading edge where the boundary layer equations are not valid.

Geissler, W.↗
NASA NTRS1982

Multiple scattering calculations of rain effects

The multiple scattering calculations of rain effects are studied on the basis of calculating the incoherent intensity at 30, 60, 90, and 120 GHz. The Mie solution and the Laws-Parsons distribution are used to determine scattering and absorption characteristics. The equation of transfer and the Stokes parameters are used to determine incoherent intensities for the horizontal and vertical polarizations. The ratio of the copolarized incoherent intensity to the copolarized coherent intensity is defined as the incoherent copolarized discrimination. The ratio of the cross-polarized incoherent intensity is defined as the incoherent cross-polarized discrimination. These ratios are calculated in terms of copolarized attenuation, rain rate, and field of view. The results show that multiple scattering effects may become significant during heavy rains.

Ishimaru, A.↗
NASA NTRS1982

Calculation of exact vibration modes for plane grillages by the dynamic stiffness method

A dynamic stiffness method is developed for the calculation of the exact modal parameters for plane grillages which consist of straight and uniform beams with coincident elastic and inertial axes. Elementary bending-torsion beam theory is utilized, and bending translation is restricted to one direction. The exact bending-torsion dynamic stiffness matrix is obtained for a straight and uniform beam element with coincident elastic and inertial axes. The element stiffness matrices are assembled using the standard procedure of the static stiffness method to form the dynamic stiffness matrix of the complete grillage. The exact natural frequencies, mode shapes, and generalized masses of the grillage are then calculated by solving a nonlinear eigenvalue problem based on the dynamic stiffness matrix. The exact modal solutions for an example grillage are calculated and compared with the approximate solutions obtained by using the finite element method.

Hallauer, W. L., Jr.↗
NASA NTRS1983

Calculation of viscous supersonic flows over finned bodies

The parabolized Navier-Stokes (PNS) equations are used to calculate the viscous, supersonic flow fields about a six-finned projectile and a generic four-finned missile at angles of attack. Since current computer speeds and storage preclude a fully three-dimensional calculation using the unsteady, Reynolds-averaged, Navier-Stokes equations, the applicability of the PNS equations to the above flow fields is of considerable interest. Two important aspects of the calculation are grid generation and the type of smoothing used to prevent nonphysical solutions. This paper includes a description of the grid-generation process. Results in the form of density contours and velocity vector plots are presented for the two configurations. The applicability of the PNS equations to the complicated flow fields considered is successfully demonstrated.

Rai, M. M.↗
NASA NTRS1983

Quasi-three-dimensional turbomachinery flow calculations on multiple hub-to-shroud stream surfaces

Results are presented from a quasi-three-dimensional calculation of steady (relative), inviscid, adiabatic, subsonic/shock-free transonic flow on multiple hub-to-shroud stream surfaces through turbomachinery blade rows. The quasi-three-dimensional technique incorporates some three-dimensional effects while retaining much of the simplicity of two-dimensional computational methods. Three typical turbomachinery flowfield calculations are presented including an axial-flow compressor rotor, a turbine stator vane cascade, and a radial-inflow turbine rotor. The calculations were performed using quasi-three-dimensional extensions of existing two-dimensional methods. The current results represent an intermediate step in the complete quasi-three-dimensional solution process. However, the results demonstrate the usefulness of the quasi-three-dimensional technique in complementing and extending the applicability of the two-dimensional methods of turbomachinery flow analysis.

Thompson, H. D.↗
NASA NTRS1983

Calculation of the polarization potential for e-N2 collisions

A polarization potential V(pol) for e-N2 collisions is calculated by the generalization of the static part of the method of polarized orbitals to molecular targets. Partial differential equations (PDE) are derived for polarized orbitals, which are functions of the distance (r) from the molecular center and angle (theta) from the molecular axis. The equations are solved with the use of the noniterative PDE technique. From the polarized orbitals a polarization potential can be constructed whose r and theta dependence is found to be significantly different from the well-known phenomenological one. The two potentials are further compared by carrying out limited hybrid-theory scattering calculations. Only those scattering results based on the calculated V(pol) are in satisfactory accord with experiment.

Onda, K.↗
NASA NTRS1984

The calculation of theoretical chromospheric models and the interpretation of solar spectra from rockets and spacecraft

Models and spectra of sunspots were studied, because they are important to energy balance and variability discussions. Sunspot observations in the ultraviolet region 140 to 168 nn was obtained by the NRL High Resolution Telescope and Spectrograph. Extensive photometric observations of sunspot umbrae and prenumbrae in 10 chanels covering the wavelength region 387 to 3800 nm were made. Cool star opacities and model atmospheres were computed. The Sun is the first testcase, both to check the opacity calculations against the observed solar spectrum, and to check the purely theoretical model calculation against the observed solar energy distribution. Line lists were finally completed for all the molecules that are important in computing statistical opacities for energy balance and for radiative rate calculations in the Sun (except perhaps for sunspots). Because many of these bands are incompletely analyzed in the laboratory, the energy levels are not well enough known to predict wavelengths accurately for spectrum synthesis and for detailed comparison with the observations.

Avrett, E. H.↗
NASA NTRS1984

Calculating C-grids with fine and embedded mesh regions

A program for calculating a C-type mesh around airfoil like shapes is described. The Jameson/Caughey approach is used: a parabolic transformation coupled with a shearing transformation. The algebraic algorithm is capable of efficiently generating nearly orthogonal grids. A high degree of grid control is possible. The user may specify grid boundaries, number of grid lines, and location of (and spacing in) trailing edge and leading edge fine mesh areas. The capability of embedding fine mesh regions, for use with new adaptive grid techniques, is being developed. Grids generated by the program were used in Euler flow flow calculatons by W. Usab. Results superior to results calculated on previous O-type grids were obtained. Specifically, calculations converged faster using C-grids rather than 0-grids, total pressure loss spikes at the trailing edge of the airfoil were eliminated, and the Ni method converged with zero artificial smoothing for a subcritical case (resulting overall total pressure loss was then nearly zero). These improvements were attributed to higher grid orthogonality, especially at the trailing edge. The program itself is fairly straightforward. Roughly half of the 800 code lines are comment lines.

Loyd, B.↗
NASA NTRS1984

An assessment of the capability to calculate tilting prop-rotor aircraft performance, loads and stability

Calculated performance, loads, and stability of the XV-15 tilt rotor research aircraft are compared with wind tunnel and flight measurements, to define the level of the current analytical capability for tilting prop rotor aircraft, and to define the requirements for additional experimental data and further analysis development. The correlation between calculated and measured behavior is generally good, although there are some significant discrepancies. Based on this correlation, the analysis is assessed overall as being adequate for the design, evaluation, and testing of tilting prop rotor aircraft. A general assessment of the state of the art of tilt rotor predictive capability is given. Specific areas are identified where improvements in the capability to calculate performance, loads, and stability are desirable. Requirements for more accurate and detailed data which support the development of improved analytical models are identified as well.

Johnson, W.↗
NASA NTRS1984

Static and dynamic structural-sensitivity derivative calculations in the finite-element-based Engineering Analysis Language (EAL) system

The implementation of static and dynamic structural-sensitivity derivative calculations in a general purpose, finite-element computer program denoted the Engineering Analysis Language (EAL) System is described. Derivatives are calculated with respect to structural parameters, specifically, member sectional properties including thicknesses, cross-sectional areas, and moments of inertia. Derivatives are obtained for displacements, stresses, vibration frequencies and mode shapes, and buckling loads and mode shapes. Three methods for calculating derivatives are implemented (analytical, semianalytical, and finite differences), and comparisons of computer time and accuracy are made. Results are presented for four examples: a swept wing, a box beam, a stiffened cylinder with a cutout, and a space radiometer-antenna truss.

Camarda, C. J.↗
NASA NTRS1983

Unsteady laminar boundary-layer calculations on oscillating configurations including backflow. Part 2: Airfoil in high-amplitude pitching motion. Dynamic stall

A previously developed finite-difference procedure for calculating unsteady, incompressible, laminar boundary layers on an oscillating flat plate is applied to a wing section undergoing high-amplitude pitching oscillations about various mean incidences. To start the entire boundary-layer calculation, appropriate initial conditions and outer boundary conditions are specified, using a stagnation-point fixed frame of reference. The breakdown of the numerical calculation procedure in the x,t-domain is interpreted to coincide with unsteady separation. Details of the boundary-layer behavior in the vicinity of separation are investigated, and a close analogy between the present results and those for a three-dimensional steady separation is found.

Geissler, W.↗