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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Numerical solution of transonic stream function equation

The stream function equation, in conservation form, looks similar to the full potential equation and existing methods (e.g. artificial compressibility) can be readily applied. Rotational flows can be calculated once the vorticity (due to shocks or nonuniformity) is evaluated. There are, however, two main difficulties: First, the density is not uniquely determined in terms of the flux (there are two solutions; the subsonic and the supersonic branch with a square root singularity at the sonic point). Methods to overcome this difficulty are studied and results are presented with some remarks on inviscid separation and closed stream lines. Second, the need of two stream functions for three dimensional calculations is briefly discussed.

Hafez, M.↗
NASA NTRS1991

An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled-cluster wave function - Application to Cl2O2

The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.

Rendell, Alistair P.↗
NASA NTRS1971

The earth and the moon /Harold Jeffreys Lecture/.

The internal structures of the earth and the moon are compared in the light of the latest extensive data on the earth structure, mobility of the earth outer layers, and the properties of lunar crust. The Monte Carlo method is applied to develop an earth model by a stepwise process beginning with a random distribution of two elastic velocities and the density as a function of de pth. Lunar seismic, magnetic, and rock analysis data are used to infer the properties of the moon. The marked planetological contrast between the earth and the moon is shown to consist in that the earth is highly differentiated and still undergoes a large-scale differentiation, while the moon has lost its volatiles in its early history and has a cold dynamically inactive shell which has been without basic changes for three billion years.

Press, F.↗
NASA NTRS1992

Characterization of Martian near-subsurface materials by determination of cohesion and angle of internal friction

Back-analysis (reconstruction) of the stability of thirty avalanche chutes was performed in the very limited areas where high resolution imaging overlapped with available 1:500 K topographic map coverage. A new technique was developed to incorporate the third dimension (width) of an avalanche chute in stability back-analysis in order to yield unambiguous values of cohesion and angle of internal friction. The procedure is based upon extending the ordinary method of slices to three dimensions, in order to construct avalanche chute cross-sections whose widths and depths vary as a function of gradient, gravity, density of material, and phi and c. Applying the technique to the well documented slide at Lodalen, Norway as a test produces excellent correspondence with reality. Generally, the technique reveals that the width:depth ratio of any avalanche chute decreases with increasing contrast between the average slope angle and the angle of internal friction. Applying this technique to the martian avalanche chute yields results consistent with indications from earlier work, but with greater certainty. Values of cohesion and angle of internal friction identify the materials at the time of failure as moderately cohesive debris. If Sharp's identification of these features as avalanche chutes is correct, then the results here imply that weathering processes have had a significant effect to depths of tens of meters (where failure has occured) below the martian surface. It is also implied that on relatively steep slopes within Valles Marineris, sizable, unaltered, unmantled bedrock exposures for high resolution spectral and spatial scanning by Mars Observer may be scarce.

Sullivan, R. J.↗
NASA NTRS1986

Random scattering approach to gravitational microlensing

Small random deflections of a narrow beam of radiation due to gravitational scattering by stars randomly distributed within the deflector plane are considered. Using a Fouriere transform method, the probability of scattering is obtained as a function of scattering angle for an arbitrary number of stars with an arbitrary distribution of masses. The probability density, expressed in proper units, depends on one parameter only: the effective number of stars. At small scattering angles the density is a Gaussian, and at large angles it falls off as the scattering angle to the minus fourth power. The probability distribution for scatterings is simply related to the angular distribution of the surface brightness of a macroimage, averaged over many microimages. The isophotes are ellipses, with the ratio of the major axis to the minor axis, determined by the dimensionless surface mass density and the shear of the lensing system. The number of stars that has to be included in the modeling of microlensing is proportional to the amplification due to the macrolens, and to the square of the dimensionless surface mass density.

Katz, N.↗
NASA NTRS1986

Analysis of the prominence associated with the coronal mass ejection of August 18, 1980

This paper develops a diagnostic method based on the observed H-alpha and continuum brightness to derive the electron density, line of sight thickness, and degree of ionization of hydrogen as functions of the temperature of the prominence filaments. Analysis of data from the event of August 18, 1980, illustrates that the rising prominence material has decreased density, increased temperature, and increased ionization of hydrogen relative to quiescent prominences in the lower corona. Hydrogen is found to be 90-99 percent ionized, electron densities are near 10 to the 8th/cu cm, and the temperature is near 20,000 K. The increased ionization is due mainly to the decreased density.

Athay, R. Grant↗
NASA NTRS1990

Particle image fields and partial coherence

The accuracy of Young's fringe method for reducing velocity field data is compromized by a spatially incoherent background field which originates in the random locations of the seeding particles. The probability density function for the spatial frequency cutoff of this background is derived as a function of the particle count, the distribution governing the power in each frequency interval is derived, and conditions are found under which the Van Cittert-Zernike theorem applies. The background field resembles the far field of a partially coherent source in the high particle count limit, but departs significantly at low and moderate counts.

Rubinstein, Robert↗
NASA NTRS1990

First-passage problems: A probabilistic dynamic analysis for degraded structures

Structures subjected to random excitations with uncertain system parameters degraded by surrounding environments (a random time history) are studied. Methods are developed to determine the statistics of dynamic responses, such as the time-varying mean, the standard deviation, the autocorrelation functions, and the joint probability density function of any response and its derivative. Moreover, the first-passage problems with deterministic and stationary/evolutionary random barriers are evaluated. The time-varying (joint) mean crossing rate and the probability density function of the first-passage time for various random barriers are derived.

Shiao, Michael C.↗
NASA NTRS1992

Electrochemical characterization of InP structures

Electrochemical (EC) techniques represent a simple and yet accurate method to characterize InP and related materials structures. With EC techniques, uncertainties in the measurements arising from factors such as surface effects, the composition and thickness of a front dead layer, the contacts, etc., can be significantly reduced when both a suitable electrolyte is used and the measuring conditions are carefully selected. In this work, the use of photoelectrochemical techniques with InP structures is reported. The work focuses on both the characterization and the optimization of structures grown by thermal diffusion and by epitaxial methods. Characterization of the structures is done by studying the variation in the density of surface states, number of defects, and net majority carrier concentration as a function of material removed. A step-by-step optimization process of n(sup +)p and p(sup+)n InP structures is also described. This involves the passivation and subsequent removal of damaged layers in order to extract the performance parameters of solar cells fabricated with these structures.

Faur, Maria↗
NASA NTRS1996

On the Reaction of FNO2 with CH3, t-butyl, and C13H21

Theoretical studies are reported for the reaction of FN02 with the radicals CH3, t-butyl, and C13H21, which are templates for the radical site of a hydrogenated diamond surface. All structures axe fully optimized using density functional theory (DFT) based on the B3LYP functional. Calibration calculations axe performed for CH3 + FNO2 using the coupled cluster approach, the the internally contracted multireference configuration. interaction method, and second order perturbation theory based upon complete active space SCF (CASSCF) reference wave function. These calibration calculations support the B3LYP approach for the calculation of bond energies, but show the B3LYP barrier is too low. Combining the calibration calculations with the larger clusters yields our best estimate of a barrier of about 10 kcal/mol. for the reaction of FNO2 with a radical site on hydrogenated diamond.

Thuemmel, H. T.↗
NASA NTRSDate not supplied

Modeling Ring-Opening Polymerization with Machine-Learned Committors

Many important industrial and biological processes depend on ring-opening polymerization (ROP), including large-scale production polymers, such as nylon 6, and a variety of biodegradable polymers and high-performance resins. Large-scale simulations (>200K atoms) of ROP were performed using a deep neural network-based method that captured the effect of the local chemical environment of the reactive sites using training data from quantum chemical methods. The utility of this method was demonstrated by modeling the cationic ROP of bis-benzoxazine, a promising resin for use in advanced high-temperature application composites (>200°C). Density functional theory calculations were used to map out the various ring opening and polymerization reaction paths that occur during the thermal processing of bis-benzoxazine. The probabilities of these reactions, as a function of local atomic configurations, were used to construct committor functions using a neural network approach. The learned committor functions were then used to determine when a particular reaction occurred within the REACTER framework for reactive molecular dynamics simulations. The experimentally observed exotherm that occurs during bis-benzoxazine ROP was captured in an effective manner in the simulations by imposing a local heating of the system that corresponds to the enthalpy of reaction for each reaction. The dependence of the final polymer morphology on the ROP reaction temperature was analyzed at the molecular scale. The results presented in this work indicate that machine-learned committor functions are a promising approach for incorporating high-fidelity reactivity criteria that capture the effect of local chemical environments into large-scale polymerization simulations.

machine learning, polymer simulations, molecular d↗
NASA NTRS1989

Probabilities for gravitational lensing by point masses in a locally inhomogeneous universe

Probability functions for gravitational lensing by point masses that incorporate Poisson statistics and flux conservation are formulated in the Dyer-Roeder construction. Optical depths to lensing for distant sources are calculated using both the method of Press and Gunn (1973) which counts lenses in an otherwise empty cone, and the method of Ehlers and Schneider (1986) which projects lensing cross sections onto the source sphere. These are then used as parameters of the probability density for lensing in the case of a critical (q0 = 1/2) Friedmann universe. A comparison of the probability functions indicates that the effects of angle-averaging can be well approximated by adjusting the average magnification along a random line of sight so as to conserve flux.

Isaacson, Jeffrey A.↗
NASA NTRS1975

An analytic method to account for drag in the Vinti satellite theory

A quadrature algorithm is presented which employs analytical expressions for the variations of satellite orbital elements caused by air drag. The Hamiltonian is formally preserved and the Jacobi constants of the motion are advanced with time through the variational equations. The atmospheric density profile is written as a fitted exponential function of the eccentric anomaly, which adheres to tabulated data at all altitudes and simultaneously reduces the variational equations to definite integrals with closed form evaluations, whose limits are in terms of the eccentric anomaly. Results are given for two intense air drag satellites and indicate that the satellite ephemerides produced by this method in conjunction with the Vinti program are of very high accuracy.

Watson, J. S.↗
NASA NTRS1977

Scintillation statistics caused by atmospheric turbulence and speckle in satellite laser ranging

We study the statistics of scintillation at the ground-based receiver for the earth-space-earth retroreflector configuration of satellite laser ranging. These statistics are governed by the joint effects of atmospheric turbulence and speckle produced by the retroreflector array. An expression for the probability density function of scintillation is obtained and evaluated numerically. Comparison of the normalized variance of scintillation calculated by using this function shows good agreement with results obtained by other methods.

Bufton, J. L.↗
NASA NTRS1989

Test particle calculations of pick-up ions in the vicinity of Comet Giacobini-Zinner

Ionization of cometary neutral molecules produces ions which are picked-up by the solar wind. The cometary ion pick-up process for Comet Giacobini-Zinner is studied using a test particle method in which trajectories are numerically calculated for several thousand ions whose initial locations were chosen randomly with probability proportional to the neutral density. The cometary ion distribution function was calculated at several locations upstream of the bow shock. Several types of magnetic fluctuations were included. Circularly and linearly polarized monochromatic waves result in less pitch-angle scattering of pick-up ions than turbulent fluctuations which have about the same amplitude. Some anisotropy remains in the distribution function just upstream of the shock, even for the turbulent fluctuations.

Cravens, T. E.↗
NASA NTRS2006

Strip Yield Model Numerical Application to Different Geometries and Loading Conditions

A new numerical method based on the strip-yield analysis approach was developed for calculating the Crack Tip Opening Displacement (CTOD). This approach can be applied for different crack configurations having infinite and finite geometries, and arbitrary applied loading conditions. The new technique adapts the boundary element / dislocation density method to obtain crack-face opening displacements at any point on a crack, and succeeds by obtaining requisite values as a series of definite integrals, the functional parts of each being evaluated exactly in a closed form.

Hatamleh, Omar↗
NASA NTRS1972

Lumped parameter analysis of a stringer reinforced plate excited by band limited noise

The maximum root-mean-square response of a square clamped plate, subjected to a stationary random excitation, was determined both theoretically and empirically. For the tests, a 40 x 40 x 1/4 aluminum sheet was milled out to provide a thin waffle plate with 9 panels. The plate was acoustically excited, with the frequency range limited between 25 Hz and 500 Hz. The root-mean-square power of the random excitations, 149 decibels, was nearly constant for all natural frequencies of the plate system. Strain gage readings at 14 points were plotted as power spectral densities and root-mean-square displacements. A modal damping ratio matrix was determined from the response curves. Damping ratios were found to be a function of frequency, but not of location on the plate. For comparisons with the theoretical response, the plate was subdivided into 14 modes and anlayzed as a damped, lumped parameter system by use of an approximate normal-mode method. This method gave the best predictions of the power spectral densities for the lower frequencies. That prediction errors increased for the higher frequencies is attributed to improper assumptions for mass distribution and the insufficient number of lumped mass points.

Bilyeu, D. J.↗
NASA NTRS1971

Standardized Pearson type 3 density function area tables

Tables constituting extension of similar tables published in 1936 are presented in report form. Single and triple parameter gamma functions are discussed. Report tables should interest persons concerned with development and use of numerical analysis and evaluation methods.

Cohen, A. C.↗