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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 271 records · Page 15
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NASA NTRS1959

A Numerical Method for Calculating the Wave Drag of a Configuration from the Second Derivative of the Area Distribution of a Series of Equivalent Bodies of Revolution

A method based on linearized and slender-body theories, which is easily adapted to electronic-machine computing equipment, is developed for calculating the zero-lift wave drag of single- and multiple-component configurations from a knowledge of the second derivative of the area distribution of a series of equivalent bodies of revolution. The accuracy and computational time required of the method to calculate zero-lift wave drag is evaluated relative to another numerical method which employs the Tchebichef form of harmonic analysis of the area distribution of a series of equivalent bodies of revolution. The results of the evaluation indicate that the total zero-lift wave drag of a multiple-component configuration can generally be calculated most accurately as the sum of the zero-lift wave drag of each component alone plus the zero-lift interference wave drag between all pairs of components. The accuracy and computational time required of both methods to calculate total zero-lift wave drag at supersonic Mach numbers is comparable for airplane-type configurations. For systems of bodies of revolution both methods yield similar results with comparable accuracy; however, the present method only requires up to 60 percent of the computing time required of the harmonic-analysis method for two bodies of revolution and less time for a larger number of bodies.

Levy, Lionel L., Jr.↗
NASA NTRS1999

Ice Accretion Calculations for a Commercial Transport Using the LEWICE3D, ICEGRID3D and CMARC Programs

Collection efficiency and ice accretion calculations were made for a commercial transport using the NASA Lewis LEWICE3D ice accretion code, the ICEGRID3D grid code and the CMARC panel code. All of the calculations were made on a Windows 95 based personal computer. The ice accretion calculations were made for the nose, wing, horizontal tail and vertical tail surfaces. Ice shapes typifying those of a 30 minute hold were generated. Collection efficiencies were also generated for the entire aircraft using the newly developed unstructured collection efficiency method. The calculations highlight the flexibility and cost effectiveness of the LEWICE3D, ICEGRID3D, CMARC combination.

Bidwell, Colin S.↗
NASA NTRS2000

Aerosol-Induced Radiative Flux Changes Off the United States Mid-Atlantic Coast: Comparison of Values Calculated from Sunphotometer and In Situ Data with Those Measured by Airborne Pyranometer

The Tropospheric Aerosol Radiative Forcing Observational Experiment (TARFOX) measured a variety of aerosol radiative effects (including flux changes) while simultaneously measuring the chemical, physical, and optical properties of the responsible aerosol particles. Here we use TARFOX-determined aerosol and surface properties to compute shortwave radiative flux changes for a variety of aerosol situations, with midvisible optical depths ranging from 0.06 to 0.55. We calculate flux changes by several techniques with varying degrees of sophistication, in part to investigate the sensitivity of results to computational approach. We then compare computed flux changes to those determined from aircraft measurements. Calculations using several approaches yield downward and upward flux changes that agree with measurements. The agreement demonstrates closure (i.e. consistency) among the TARFOX-derived aerosol properties, modeling techniques, and radiative flux measurements. Agreement between calculated and measured downward flux changes is best when the aerosols are modeled as moderately absorbing (midvisible single-scattering albedos between about 0.89 and 0.93), in accord with independent measurements of the TARPOX aerosol. The calculated values for instantaneous daytime upwelling flux changes are in the range +14 to +48 W/sq m for midvisible optical depths between 0.2 and 0.55. These values are about 30 to 100 times the global-average direct forcing expected for the global-average sulfate aerosol optical depth of 0.04. The reasons for the larger flux changes in TARFOX include the relatively large optical depths and the focus on cloud-free, daytime conditions over the dark ocean surface. These are the conditions that produce major aerosol radiative forcing events and contribute to any global-average climate effect.

Russell, P. B.↗
NASA NTRS2000

Actinic Flux Calculations: A Model Sensitivity Study

calculate direct and diffuse surface irradiance and actinic flux (downwelling (2p) and total (4p)) for the reference model. Sensitivity analysis has shown that the accuracy of the radiative transfer flux calculations for a unit ETS (i.e. atmospheric transmittance) together with a numerical interpolation technique for the constituents' vertical profiles is better than 1% for SZA less than 70(sub o) and wavelengths longer than 310 nm. The differences increase for shorter wavelengths and larger SZA, due to the differences in pseudo-spherical correction techniques and vertical discretetization among the codes. Our sensitivity study includes variation of ozone cross-sections, ETS spectra and the effects of wavelength shifts between vacuum and air scales. We also investigate the effects of aerosols on the spectral flux components in the UV and visible spectral regions. The "aerosol correction factors" (ACFs) were calculated at discrete wavelengths and different SZAs for each flux component (direct, diffuse, reflected) and prescribed IPMMI aerosol parameters. Finally, the sensitivity study was extended to calculation of selected photolysis rates coefficients.

Krotkov, Nickolay A.↗
NASA NTRS2000

Computer Programs for Calculating the Isentropic Flow Properties for Mixtures of R-134a and Air

Three computer programs for calculating the isentropic flow properties of R-134a/air mixtures which were developed in support of the heavy gas conversion of the Langley Transonic Dynamics Tunnel (TDT) from dichlorodifluoromethane (R-12) to 1,1,1,2 tetrafluoroethane (R-134a) are described. The first program calculates the Mach number and the corresponding flow properties when the total temperature, total pressure, static pressure, and mole fraction of R-134a in the mixture are given. The second program calculates tables of isentropic flow properties for a specified set of free-stream Mach numbers given the total pressure, total temperature, and mole fraction of R-134a. Real-gas effects are accounted for in these programs by treating the gases comprising the mixture as both thermally and calorically imperfect. The third program is a specialized version of the first program in which the gases are thermally perfect. It was written to provide a simpler computational alternative to the first program in those cases where real-gas effects are not important. The theory and computational procedures underlying the programs are summarized, the equations used to compute the flow quantities of interest are given, and sample calculated results that encompass the operating conditions of the TDT are shown.

Kvaternik, Raymond G.↗
NASA NTRS2000

A Method for Calculating Transient Surface Temperatures and Surface Heating Rates for High-Speed Aircraft

This report describes a method that can calculate transient aerodynamic heating and transient surface temperatures at supersonic and hypersonic speeds. This method can rapidly calculate temperature and heating rate time-histories for complete flight trajectories. Semi-empirical theories are used to calculate laminar and turbulent heat transfer coefficients and a procedure for estimating boundary-layer transition is included. Results from this method are compared with flight data from the X-15 research vehicle, YF-12 airplane, and the Space Shuttle Orbiter. These comparisons show that the calculated values are in good agreement with the measured flight data.

Quinn, Robert D.↗
NASA NTRS2001

Calculation of the Scattering Amplitude Without Partial Wave Expansion

Two developments in the direct calculation of the angular differential scattering amplitude have been implemented: (a) The integral expansion of the scattering amplitude is simplified by analytically integration over the azimuthal angle. (b) The resulting integral as a function of scattering angle is calculated by using the numerically generated wave function from a finite element method calculation. Results for electron-hydrogen scattering in the static approximation will be shown to be as accurate as a partial wave expansion with as many l's as is necessary for convergence at the incident energy being calculated.

Shertzer, J.↗
NASA NTRS2001

Calculating Free Energies Using Average Force

A new, general formula that connects the derivatives of the free energy along the selected, generalized coordinates of the system with the instantaneous force acting on these coordinates is derived. The instantaneous force is defined as the force acting on the coordinate of interest so that when it is subtracted from the equations of motion the acceleration along this coordinate is zero. The formula applies to simulations in which the selected coordinates are either unconstrained or constrained to fixed values. It is shown that in the latter case the formula reduces to the expression previously derived by den Otter and Briels. If simulations are carried out without constraining the coordinates of interest, the formula leads to a new method for calculating the free energy changes along these coordinates. This method is tested in two examples - rotation around the C-C bond of 1,2-dichloroethane immersed in water and transfer of fluoromethane across the water-hexane interface. The calculated free energies are compared with those obtained by two commonly used methods. One of them relies on determining the probability density function of finding the system at different values of the selected coordinate and the other requires calculating the average force at discrete locations along this coordinate in a series of constrained simulations. The free energies calculated by these three methods are in excellent agreement. The relative advantages of each method are discussed.

Darve, Eric↗
NASA NTRS1994

Stress Calculations on Diamond Surfaces

Calculations were carried out to evaluate stresses for atoms located in the top several layers of (100)-(1x1), (100)-(2x1) and (111)-(1x1) surfaces of diamond. Only equilibrated surfaces were taken into consideration in this investigation. Stress values in the direction perpendicular to the exposed surface vanish. In lateral directions, however, stresses have non-vanishing values, in general. For the (100) surfaces calculated stress values are anisotropic. While the (2 x 1) reconstructed surface is under compression in both directions, calculations for the unreconstructed (1 x 1) plane, produced a compressive stress in one direction and a slight tension in the other. On the (111) surface, isotropic and relatively low compressive stress values were found. Present calculations indicate that atoms located only in a few top layers have lateral excess stresses which vanish very quickly for the atoms of interior layers as departing from the exposed surface.

Halicioglu, Timur↗
NASA NTRS1995

On the Calculation of Anisotropic Extinction Coefficients for Rigid Fibrous Ceramic Insulations

The specific anisotropic extinction coefficient e* couples the effective Radiative properties of a fibrous insulation into the radiation diffusion equation. This coefficient can be calculated using Mie scattering theory if fiber diameters, refractive indices and fiber orientation distributions are known. In general, fiber orientation distributions are not readily accessible and past calculations have considered fibers as either randomly distributed or normal to the heat flow direction. In certain rigid fibrous ceramic insulations neither of these cases apply well and a simple procedure is described for approximating e* from values calculated for the random and normal orientation cases. The intrinsic error associated with this scaling procedure is investigated. Numerical computations for several test structures and fiber materials show the average error to be less than 5% for net heat flux and radiation conductivity calculations.

Marshall, Jochen↗
NASA NTRS2001

Ab Initio and Improved Empirical Potentials for the Calculation of the Anharmonic Vibrational States and Intramolecular Mode Coupling of N-Methylacetamide

The second-order Moller-Plesset ab initio electronic structure method is used to compute points for the anharmonic mode-coupled potential energy surface of N-methylacetamide (NMA) in the trans(sub ct) configuration, including all degrees of freedom. The vibrational states and the spectroscopy are directly computed from this potential surface using the Correlation Corrected Vibrational Self-Consistent Field (CC-VSCF) method. The results are compared with CC-VSCF calculations using both the standard and improved empirical Amber-like force fields and available low temperature experimental matrix data. Analysis of our calculated spectroscopic results show that: (1) The excellent agreement between the ab initio CC-VSCF calculated frequencies and the experimental data suggest that the computed anharmonic potentials for N-methylacetamide are of a very high quality; (2) For most transitions, the vibrational frequencies obtained from the ab initio CC-VSCF method are superior to those obtained using the empirical CC-VSCF methods, when compared with experimental data. However, the improved empirical force field yields better agreement with the experimental frequencies as compared with a standard AMBER-type force field; (3) The empirical force field in particular overestimates anharmonic couplings for the amide-2 mode, the methyl asymmetric bending modes, the out-of-plane methyl bending modes, and the methyl distortions; (4) Disagreement between the ab initio and empirical anharmonic couplings is greater than the disagreement between the frequencies, and thus the anharmonic part of the empirical potential seems to be less accurate than the harmonic contribution;and (5) Both the empirical and ab initio CC-VSCF calculations predict a negligible anharmonic coupling between the amide-1 and other internal modes. The implication of this is that the intramolecular energy flow between the amide-1 and the other internal modes may be smaller than anticipated. These results may have important implications for the anharmonic force fields of peptides, for which N-methylacetamide is a model.

Gregurick, Susan K.↗
NASA NTRS2003

Comparing Ultraviolet Spectra Against Calculations: First Results

The five-year goal of this effort is to calculate high fidelity mid-UV spectra for individual stars and stellar systems for a wide range of ages, abundances, and abundance ratios. In this first year, the emphasis was placed on revising the list of atomic line parameters used to calculate mid-UV spectra. First, new identifications of atomic lines and measurements of their transition probabilities were obtained for lines of the first and second ionization stages of iron-peak elements. Second, observed mid-UV and optical spectra for standard stars were re-analyzed and compared to new calculations, to refine the determination of transition probabilities and to estimate the identity of lines still missing from the laboratory lists. As evidenced by the figures, a dramatic improvement has resulted in the reproduction of the spectra of standard stars by the calculations.

Peterson, Ruth C.↗
NASA NTRS2001

Influence of Wake Models on Calculated Tiltrotor Aerodynamics

The tiltrotor aircraft configuration has the potential to revolutionize air transportation by providing an economical combination of vertical take-off and landing capability with efficient, high-speed cruise flight. To achieve this potential it is necessary to have validated analytical tools that will support future tiltrotor aircraft development. These analytical tools must calculate tiltrotor aeromechanical behavior, including performance, structural loads, vibration, and aeroelastic stability, with an accuracy established by correlation with measured tiltrotor data. The recent test of the Tilt Rotor Aeroacoustic Model (TRAM) with a single,l/4-scale V-22 rotor in the German-Dutch Wind Tunnel (DNW) provides an extensive set of aeroacoustic, performance, and structural loads data. This paper will examine the influence of wake models on calculated tiltrotor aerodynamics, comparing calculations of performance and airloads with TRAM DNW measurements. The calculations will be performed using the comprehensive analysis CAMRAD II.

Johnson, Wayne↗
NASA NTRS1997

Radiative heating of interstellar grains falling toward the solar nebula: 1-D diffusion calculations

As the dense molecular cloud that was the precursor of our Solar System was collapsing to form a protosun and the surrounding solar-nebula accretion disk, infalling interstellar grains were heated much more effectively by radiation from the forming protosun than by radiation from the disk's accretion shock. Accordingly, we have estimated the temperatures experienced by these infalling grains using radiative diffusion calculations whose sole energy source is radiation from the protosun. Although the calculations are 1-dimensional, they make use of 2-D, cylindrically symmetric models of the density structure of a collapsing, rotating cloud. The temperature calculations also utilize recent models for the composition and radiative properties of interstellar grains (Pollack et al. 1994. Astrophys. J. 421, 615-639), thereby allowing us to estimate which grain species might have survived, intact, to the disk accretion shock and what accretion rates and molecular-cloud rotation rates aid that survival. Not surprisingly, we find that the large uncertainties in the free parameter values allow a wide range of grain-survival results: (1) For physically plausible high accretion rates or low rotation rates (which produce small accretion disks), all of the infalling grain species, even the refractory silicates and iron, will vaporize in the protosun's radiation field before reaching the disk accretion shock. (2) For equally plausible low accretion rates or high rotation rates (which produce large accretion disks), all non-ice species, even volatile organics, will survive intact to the disk accretion shock. These grain-survival conclusions are subject to several limitations which need to be addressed by future, more sophisticated radiative-transfer models. Nevertheless, our results can serve as useful inputs to models of the processing that interstellar grains undergo at the solar nebula's accretion shock, and thus help address the broader question of interstellar inheritance in the solar nebula and present Solar System. These results may also help constrain the size of the accretion disk: for example, if we require that the calculations produce partial survival of organic grains into the solar nebula, we infer that some material entered the disk intact at distances comparable to or greater than a few AU. Intriguingly, this is comparable to the heliocentric distance that separates the C-rich outer parts of the current Solar System from the C-poor inner regions.

NASA Center ARC↗
NASA NTRS1996

Molecular Dynamics Calculations

The development of thermodynamics and statistical mechanics is very important in the history of physics, and it underlines the difficulty in dealing with systems involving many bodies, even if those bodies are identical. Macroscopic systems of atoms typically contain so many particles that it would be virtually impossible to follow the behavior of all of the particles involved. Therefore, the behavior of a complete system can only be described or predicted in statistical ways. Under a grant to the NASA Lewis Research Center, scientists at the Case Western Reserve University have been examining the use of modern computing techniques that may be able to investigate and find the behavior of complete systems that have a large number of particles by tracking each particle individually. This is the study of molecular dynamics. In contrast to Monte Carlo techniques, which incorporate uncertainty from the outset, molecular dynamics calculations are fully deterministic. Although it is still impossible to track, even on high-speed computers, each particle in a system of a trillion trillion particles, it has been found that such systems can be well simulated by calculating the trajectories of a few thousand particles. Modern computers and efficient computing strategies have been used to calculate the behavior of a few physical systems and are now being employed to study important problems such as supersonic flows in the laboratory and in space. In particular, an animated video (available in mpeg format--4.4 MB) was produced by Dr. M.J. Woo, now a National Research Council fellow at Lewis, and the G-VIS laboratory at Lewis. This video shows the behavior of supersonic shocks produced by pistons in enclosed cylinders by following exactly the behavior of thousands of particles. The major assumptions made were that the particles involved were hard spheres and that all collisions with the walls and with other particles were fully elastic. The animated video was voted one of two winning videos in a competition held at the meeting of the American Physical Society's Division of Fluid Dynamics, held in Atlanta, Georgia, in November 1994. Of great interest was the result that in every shock there were a few high-speed precursor particles racing ahead of the shock, carrying information about its impending arrival. Most recently, Dr. Woo has been applying molecular dynamics techniques to the problem of determining the drag produced by the space station truss structure as it flies through the thin residual atmosphere of low-Earth orbit. This problem is made difficult by the complex structure of the truss and by the extreme supersonic nature of the flow. A fully filled section of the truss has already been examined, and drag predictions have been made. Molecular dynamics techniques promise to make realistic drag calculations possible even for very complex partially filled truss segments flying at arbitrary angles.

Source record↗
NASA NTRS2004

Comparing Ultraviolet Spectra against Calculations: Year 2 Results

The five-year goal of this effort is to calculate high fidelity mid-W spectra for individual stars and stellar systems for a wide range of ages, abundances, and abundance ratios. In this second year, the comparison of our calculations against observed high-resolution mid- W spectra was extended to stars as metal-rich as the Sun, and to hotter and cooler stars, further improving the list of atomic line parameters used in the calculations. We also published the application of our calculations based on the earlier list of line parameters to the observed mid-UV and optical spectra of a mildly metal-poor globular cluster in the nearby Andromeda galaxy, Messier 3 1.

Peterson, Ruth C.↗
NASA NTRS2006

Representation of the Geosynchronous Plasma Environment in Spacecraft Charging Calculations

Historically, our ability to predict and postdict spacecraft surface charging has been limited by the characterization of the plasma environment. One difficulty lies in the common practice of fitting the plasma data to a Maxwellian or Double Maxwellian distribution function, which may not represent the data well for charging purposes. We use electron and ion flux spectra measured by the Los Alamos National Laboratory (LANL) Magnetospheric Plasma Analyzer (MPA) to examine how the use of different spectral representations of the charged particle environment in computations of spacecraft potentials during magnetospheric substorms affects the accuracy of the results. We calculate the spacecraft potential using both the measured fluxes and several different fits to these fluxes. These measured fluxes have been corrected for the difference between the measured and calculated potential. The potential computed using the measured fluxes and the best available material properties of graphite carbon, with a secondary electron escape fraction of 81%, is within a factor of three of the measured potential for 87% of the data. Potentials calculated using a Kappa function fit to the incident electron flux distribution function and a Maxwellian function fit to the incident ion flux distribution function agree with measured potentials nearly as well as do potentials calculated using the measured fluxes. Alternative spectral representations gave less accurate estimates of potential. The use of all the components of the net flux, along with spacecraft specific average material properties, gives a better estimate of the spacecraft potential than the high energy flux alone.

Davis, V. A.↗
NASA NTRS2006

Quiet High Speed Fan (QHSF) Flutter Calculations Using the TURBO Code

A scale model of the NASA/Honeywell Engines Quiet High Speed Fan (QHSF) encountered flutter wind tunnel testing. This report documents aeroelastic calculations done for the QHSF scale model using the blade vibration capability of the TURBO code. Calculations at design speed were used to quantify the effect of numerical parameters on the aerodynamic damping predictions. This numerical study allowed the selection of appropriate values of these parameters, and also allowed an assessment of the variability in the calculated aerodynamic damping. Calculations were also done at 90 percent of design speed. The predicted trends in aerodynamic damping corresponded to those observed during testing.

Bakhle, Milind A.↗