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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Calculation of Weibull strength parameters, Batdorf flaw density constants and related statistical quantities using PC-CARES

This manual describes the operation and theory of the PC-CARES (Personal Computer-Ceramic Analysis and Reliability Evaluation of Structures) computer program for the IBM PC and compatibles running PC-DOS/MS-DOR OR IBM/MS-OS/2 (version 1.1 or higher) operating systems. The primary purpose of this code is to estimate Weibull material strength parameters, the Batdorf crack density coefficient, and other related statistical quantities. Included in the manual is the description of the calculation of shape and scale parameters of the two-parameter Weibull distribution using the least-squares analysis and maximum likelihood methods for volume- and surface-flaw-induced fracture in ceramics with complete and censored samples. The methods for detecting outliers and for calculating the Kolmogorov-Smirnov and the Anderson-Darling goodness-of-fit statistics and 90 percent confidence bands about the Weibull line, as well as the techniques for calculating the Batdorf flaw-density constants are also described.

Szatmary, Steven A.↗
NASA NTRS1990

All-electron molecular Dirac-Hartree-Fock calculations: The group 4 tetrahydrides CH4, SiH4, GeH4, SnH4 and PbH4

A basis-set-expansion Dirac-Hartree-Fock program for molecules is described. Bond lengths and harmonic frequencies are presented for the ground states of the group 4 tetrahydrides, CH4, SiH4, GeH4, SnH4, and PbH4. The results are compared with relativistic effective core potential (RECP) calculations, first-order perturbation theory (PT) calculations and with experimental data. The bond lengths are well predicted by first-order perturbation theory for all molecules, but non of the RECP's considered provides a consistent prediction. Perturbation theory overestimates the relativistic correction to the harmonic frequencies; the RECP calculations underestimate the correction.

Dyall, Kenneth G.↗
NASA NTRS1990

Polyatomic molecular Dirac-Hartree-Fock calculations with Gaussian basis sets

Numerical methods have been used successfully in atomic Dirac-Hartree-Fock (DHF) calculations for many years. Some DHF calculations using numerical methods have been done on diatomic molecules, but while these serve a useful purpose for calibration, the computational effort in extending this approach to polyatomic molecules is prohibitive. An alternative more in line with traditional quantum chemistry is to use an analytical basis set expansion of the wave function. This approach fell into disrepute in the early 1980's due to problems with variational collapse and intruder states, but has recently been put on firm theoretical foundations. In particular, the problems of variational collapse are well understood, and prescriptions for avoiding the most serious failures have been developed. Consequently, it is now possible to develop reliable molecular programs using basis set methods. This paper describes such a program and reports results of test calculations to demonstrate the convergence and stability of the method.

Dyall, Kenneth G.↗
NASA NTRS1991

Pressure algorithm for elliptic flow calculations with the PDF method

An algorithm to determine the mean pressure field for elliptic flow calculations with the probability density function (PDF) method is developed and applied. The PDF method is a most promising approach for the computation of turbulent reacting flows. Previous computations of elliptic flows with the method were in conjunction with conventional finite volume based calculations that provided the mean pressure field. The algorithm developed and described here permits the mean pressure field to be determined within the PDF calculations. The PDF method incorporating the pressure algorithm is applied to the flow past a backward-facing step. The results are in good agreement with data for the reattachment length, mean velocities, and turbulence quantities including triple correlations.

Anand, M. S.↗
NASA NTRS1991

Radiation calculations and comparisons with data

In conjunction with the analysis of data from the Long Duration Exposure Facility (LDEF) ionizing radiation dosimetry, a calculation program was established to aid in data interpretation and to assess the accuracy of current radiation environments and effects models for future mission applications. Initial estimates of LDEF exposure to trapped, galactic, and atmospheric (albedo) radiation sources were made, and the radiation environment (primary and secondary particle spectra) and several radiation effects (induced radioactivity and dose) for varying amounts of LDEF shielding were calculated for a simplified LDEF mass model. Preliminary comparisons of the calculated results were made with the induced radioactivity measurements for several LDEF parts and with preliminary dose data from several experiments (P0004, P0006, and M0004). Predictions were compared with the radioactivity induced in the aluminum clamps holding the experiment trays and in the stainless steel trunnions to test a recently developed theory of trapped proton anisotropy.

Armstrong, T. W.↗
NASA NTRS1991

Calculation of convective and radiative heating on the forebody heatshield of the aeroassist flight experiment vehicle

The total (convective and radiative) heating is calculated over the entire forebody heatshield of the Aeroassist Flight Experiment (AFE) vehicle. The convective heating is calculated using a three-dimensional Navier-Stokes code (LAURA) which includes both chemical and thermal nonequilibrium effects. The flowfield solution is then used to provide inputs to a nonequilibrium air radiation code (NEQAIR) to calculate the nonequilibrium radiative heating. Results are presented at two points on the current Baseline 5A trajectory corresponding to the start of the primary data taking period and peak heating.

Hamilton, H. Harris, II↗
NASA NTRS1991

Calculation of Gallium-metal-Arsenic phase diagrams

Electrical contacts and metallization to GaAs solar cells must survive at high temperatures for several minutes under specific mission scenarios. The determination of which metallizations or alloy systems that are able to withstand extreme thermal excursions with minimum degradation to solar cell performance can be predicted by properly calculated temperature constitution phase diagrams. A method for calculating a ternary diagram and its three constituent binary phase diagrams is briefly outlined and ternary phase diagrams for three Ga-As-X alloy systems are presented. Free energy functions of the liquid and solid phase are approximated by the regular solution theory. Phase diagrams calculated using this method are presented for the Ga-As-Ge and Ga-As-Ag systems.

Scofield, J. D.↗
NASA NTRS1991

The Navy/NASA Engine Program (NNEP89): Interfacing the program for the calculation of complex Chemical Equilibrium Compositions (CEC)

The NNEP is a general computer program for calculating aircraft engine performance. NNEP has been used extensively to calculate the design and off-design (matched) performance of a broad range of turbine engines, ranging from subsonic turboprops to variable cycle engines for supersonic transports. Recently, however, there has been increased interest in applications for which NNEP is not capable of simulating, such as the use of alternate fuels including cryogenic fuels and the inclusion of chemical dissociation effects at high temperatures. To overcome these limitations, NNEP was extended by including a general chemical equilibrium method. This permits consideration of any propellant system and the calculation of performance with dissociation effects. The new extended program is referred to as NNEP89.

Gordon, Sanford↗
NASA NTRS1990

Rapid calculation of terrain parameters for radiation modeling from digital elevation data

Digital elevation models are now widely used to calculate terrain parameters to determine incoming solar and longwave radiation for use in surface climate models, interpretation of remote-sensing data, and parameters in hydrologic models. Because of the large number of points in an elevation grid, fast algorithms are useful to save computation time. A description is given of rapid methods for calculating slope and azimuth, solar illumination angle, horizons, and view factors for radiation from sky and terrain. Calculation time is reduced by fast algorithms and lookup tables.

Dozier, Jeff↗
NASA NTRS1991

A shock-layer theory based on thirteen-moment equations and DSMC calculations of rarefied hypersonic flows

Grad's thirteen-moment equations are applied to the flow behind a bow shock under the formalism of a thin shock layer. Comparison of this version of the theory with Direct Simulation Monte Carlo calculations of flows about a flat plate at finite attack angle has lent support to the approach as a useful extension of the continuum model for studying translational nonequilibrium in the shock layer. This paper reassesses the physical basis and limitations of the development with additional calculations and comparisons. The streamline correlation principle, which allows transformation of the 13-moment based system to one based on the Navier-Stokes equations, is extended to a three-dimensional formulation. The development yields a strip theory for planar lifting surfaces at finite incidences. Examples reveal that the lift-to-drag ratio is little influenced by planform geometry and varies with altitudes according to a 'bridging function' determined by correlated two-dimensional calculations.

Cheng, H. K.↗
NASA NTRS1991

A potential energy surface for the process H2 + H2O yielding H + H + H2O - Ab initio calculations and analytical representation

Extensive ab initio calculations on the ground state potential energy surface of H2 + H2O were performed using a large contracted Gaussian basis set and a high level of correlation treatment. An analytical representation of the potential energy surface was then obtained which reproduces the calculated energies with an overall root-mean-square error of only 0.64 mEh. The analytic representation explicitly includes all nine internal degrees of freedom and is also well behaved as the H2 dissociates; it thus can be used to study collision-induced dissociation or recombination of H2. The strategy used to minimize the number of energy calculations is discussed, as well as other advantages of the present method for determining the analytical representation.

Schwenke, David W.↗
NASA NTRS1991

Use of satellite data to constrain the model-calculated atmospheric lifetime for N2O - Implications for other trace gases

Model calculations of the zonal-mean concentrations of N2O in the upper stratosphere are presented showing that about 80 percent of N2O is removed in the stratosphere between 30 deg N and 30 deg S. A comparison of calculated N2O values with remote data on N2O concentrations obtained from Nimbus 7 SAMS instrument indicated that the two-dimensional model of Ko and Sze (1982) may have underestimated the concentration of N2O in the tropical lower stratosphere. It is concluded that the calculated lifetimes for N2O and chlorofluorocarbon-source gases could be 30 percent shorter than previously reported values.

Ko, Malcolm K. W.↗
NASA NTRS1991

Calculations of hadronic dissociation of Si-28 projectiles at 14.6A GeV by nucleon emission

An optical potential abrasion-ablation collision model is used to calculate hadronic dissociation cross sections for one, two, and three nucleon removal for the first time for a 14.6A GeV Si-28 beam fragmenting in aluminum, tin, and lead targets. These estimates are compared with recent semiinclusive measurements. Significant differences between some calculated and measured semiinclusive cross sections exist which cannot be resolved without measurements of the exclusive channel hadronic cross sections. Calculations for each exclusive reaction channel contributing to the semiinclusive cross sections are presented and discussed.

Townsend, Lawrence W.↗
NASA NTRS1991

Reynolds shear stress and heat flux calculations in a fully developed turbulent duct flow

The use of a modified form of the Van Driest mixing length for a fully developed turbulent channel flow leads to mean velocity and Reynolds stress distributions that are in close agreement with data obtained either from experiments or direct numerical simulations. The calculations are then extended to a nonisothermal flow by assuming a constant turbulent Prandtl number, the value of which depends on the molecular Prandtl number. Calculated distributions of mean temperature and lateral heat flux are in reasonable agreement with the simulations. The extension of the calculations to higher Reynolds numbers provides some idea of the Reynolds number required for scaling on wall variables to apply in the inner region of the flow.

Antonia, R. A.↗
NASA NTRS1991

All-electron molecular Dirac-Hartree-Fock calculations - The group IV tetrahydrides CH4, SiH4, GeH4, SnH4, and PbH4

A basis-set-expansion Dirac-Hartree-Fock program for molecules is described. Bond lengths and harmonic frequencies are presented for the ground states of the group 4 tetrahydrides, CH4, SiH4, GeH4, SnH4, and PbH4. The results are compared with relativistic effective core potential (RECP) calculations, first-order perturbation theory (PT) calculations and with experimental data. The bond lengths are well predicted by first-order perturbation theory for all molecules, but none of the RECP's considered provides a consistent prediction. Perturbation theory overestimates the relativistic correction to the harmonic frequencies; the RECP calculations underestimate the correction.

Dyall, Kenneth G.↗
NASA NTRS1991

Atomic oxygen flux and fluence calculation for Long Duration Exposure Facility (LDEF)

The LDEF mission was to study the effects of the space environment on various materials over an extended period of time. One of the important factors for materials degradation in low earth orbit is the atomic oxygen fluxes and fluences experienced by the materials. These fluxes and fluences are a function of orbital parameters, solar and geomagnetic activity, and material surface orientation. Calculations of atomic oxygen fluences and fluxes for the LDEF mission are summarized. Included are descriptions of LDEF orbital parameters, solar and geomagnetic data, computer code FLUXAV, which was used to perform calculations of fluxes and fluences, along with a discussion of the calculated fluxes and fluences.

Bourassa, Roger J.↗
NASA NTRS1991

Viscous three-dimensional calculations of transonic fan performance

A 3-D flow analysis code was used to compute the design speed operating line of a transonic fan rotor, and the results were compared with experimental data. The code is an explicit finite difference code with an algebraic turbulence model. The transonic fan, called rotor 67, was tested experimentally at NASA-Lewis with conventional aerodynamic probes and with user anemometry and was included as one of the AGARD test cases for the computation of internal flows. The experimental data are described. Maps of total pressure ratio and adiabatic efficiency versus mass flow were computed and are compared with the experimental maps, with good agreement. Detailed comparisons between calculations and experiment are made at two operating points, one near peak efficiency and the other near stall. Blade-to-blade contour plots are used to show the shock structure. Comparisons of circumferentially integrated flow quantities downstream of the rotor show spanwise distributions of several aerodynamic parameters. Calculated Mach number distributions are compared with laser anemometer data within the blade row and the wake to quantify the accuracy of the calculations. Particle traces are used to show the nature of secondary flow.

Chima, Rodrick V.↗
NASA NTRS1991

Time domain scattering and radar cross section calculations for a thin, coated perfectly conducting plate

Radar cross section (RCS) calculations for flat, perfectly conducting plates are readily available through the use of conventional frequency domain techniques such as the Method of Moments (MOM). However, if the plate is covered with a dielectric material that is relatively thick in comparison with the wavelength in the material, these frequency domain techniques become increasingly difficult to apply. We present the application of the Finite Difference Time Domain (FDTD) Technique to the problem of electromagnetic scattering and RCS calculations from a thin, perfectly conducting plate that is coated with a thick layer of lossless dielectric material. Both time domain and RCS calculations are presented and disclosed.

Luebbers, Raymond J.↗