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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Polynominal Interpolation Methods for Viscous Flow Calculations

Higher-order collocation procedures resulting in tridiagonal matrix systems are derived from polynomial spline interpolation and by Hermitian (Taylor series) finite-difference discretization. The similarities and special features of these different developments are discussed. The governing systems apply for both uniform and variable meshes. Hybrid schemes resulting from two different polynomial approximations for the first and second derivatives lead to a nonuniform mesh extension of the so-called compact or Pad? difference technique (Hermite 4). A variety of fourth-order methods are described and the Hermitian approach is extended to sixth-order (Hermite 6). The appropriate spline boundary conditions are derived for all procedures. For central finite differences, this leads to a two-point, second-order accurate generalization of the commonly used three-point end-difference formula. Solutions with several spline and Hermite procedures are presented for the boundary layer equations, with and without mass transfer, and for the incompressible viscous flow in a driven cavity. Divergence and nondivergence equations are considered for the cavity. Among the fourth-order techniques, it is shown that spline 4 has the smallest truncation error. The spline 4 procedure generally requires one-quarter the number of mesh points in a given coordinate direction as a central finite-difference calculation of equal accuracy. The Hermite 6 procedure leads to remarkably accurate boundary layer solutions.

Rubin, S. G.↗
NASA NTRS1984

Newton like: Minimal residual methods applied to transonic flow calculations

A computational technique for the solution of the full potential equation is presented. The method consists of outer and inner iterations. The outer iterate is based on a Newton like algorithm, and a preconditioned Minimal Residual method is used to seek an approximate solution of the system of linear equations arising at each inner iterate. The present iterative scheme is formulated so that the uncertainties and difficulties associated with many iterative techniques, namely the requirements of acceleration parameters and the treatment of additional boundary conditions for the intermediate variables, are eliminated. Numerical experiments based on the new method for transonic potential flows around the NACA 0012 airfoil at different Mach numbers and different angles of attack are presented, and these results are compared with those obtained by the Approximate Factorization technique. Extention to three dimensional flow calculations and application in finite element methods for fluid dynamics problems by the present method are also discussed. The Inexact Newton like method produces a smoother reduction in the residual norm, and the number of supersonic points and circulations are rapidly established as the number of iterations is increased.

Wong, Y. S.↗
NASA NTRS1985

Newton-like minimal residual methods applied to transonic flow calculations

A computational technique for the solution of the full potential equation is presented. The method consists of outer and inner iterations. The outer iterate is based on a Newton like algorithm, and a preconditioned Minimal Residual method is used to seek an approximate solution of the system of linear equations arising at each inner iterate. The present iterative scheme is formulated so that the uncertainties and difficulties associated with many iterative techniques, namely the requirements of acceleration parameters and the treatment of additional boundary conditions for the intermediate variables, are eliminated. Numerical experiments based on the new method for transonic potential flows around the NACA 0012 airfoil at different Mach numbers and different angles of attack are presented, and these results are compared with those obtained by the Approximate Factorization technique. Extention to three dimensional flow calculations and application in finite element methods for fluid dynamics problems by the present method are also discussed. The Inexact Newton like method produces a smoother reduction in the residual norm, and the number of supersonic points and circulations are rapidly established as the number of iterations is increased.

Wong, Y. S.↗
NASA NTRS1975

Calculation of three-dimensional compressible laminar and turbulent boundary layers. Calculation of three-dimensional compressible boundary layers on arbitrary wings

A very general method for calculating compressible three-dimensional laminar and turbulent boundary layers on arbitrary wings is described. The method utilizes a nonorthogonal coordinate system for the boundary-layer calculations and includes a geometry package that represents the wing analytically. In the calculations all the geometric parameters of the coordinate system are accounted for. The Reynolds shear-stress terms are modeled by an eddy-viscosity formulation developed by Cebeci. The governing equations are solved by a very efficient two-point finite-difference method used earlier by Keller and Cebeci for two-dimensional flows and later by Cebeci for three-dimensional flows.

Cebeci, T.↗
DOE OSTI2024

Numerical Simulation of Light to Heat Conversion by Plasmonic Nanoheaters

Plasmonic nanoparticles are widely recognized as photothermal conversion agents, i.e., nanotransducers or nanoheaters. Translation of these materials into practical applications requires quantitative analyses of their photothermal conversion efficiencies (η). However, the value of η obtained for different materials is dramatically influenced by the experimental setup and method of calculation. Here, we evaluate the most common methods for estimating η (Roper’s and Wang’s) and compare these with numerical estimates using the simulation software ANSYS. Experiments were performed with colloidal gold nanorod solutions suspended in a hanging droplet irradiated by an 808 nm diode laser and monitored by a thermal camera. The ANSYS simulations accounted for both heating and evaporation, providing η values consistent with the Wang method but higher than the Roper approach. This study details methods for estimating the photothermal efficiency and finds ANSYS to be a robust tool where experimental constraints complicate traditional methods.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1980

An Accurate Method for Computing the Absorption of Solar Radiation by Water Vapor

The method is based upon molecular line parameters and makes use of a far wing scaling approximation and k distribution approach previously applied to the computation of the infrared cooling rate due to water vapor. Taking into account the wave number dependence of the incident solar flux, the solar heating rate is computed for the entire water vapor spectrum and for individual absorption bands. The accuracy of the method is tested against line by line calculations. The method introduces a maximum error of 0.06 C/day. The method has the additional advantage over previous methods in that it can be applied to any portion of the spectral region containing the water vapor bands. The integrated absorptances and line intensities computed from the molecular line parameters were compared with laboratory measurements. The comparison reveals that, among the three different sources, absorptance is the largest for the laboratory measurements.

Chou, M. D.↗
NASA NTRS1991

Prediction techniques for jet-induced effects in hover on STOVL aircraft

Prediction techniques for jet induced lift effects during hover are available, relatively easy to use, and produce adequate results for preliminary design work. Although deficiencies of the current method were found, it is still currently the best way to estimate jet induced lift effects short of using computational fluid dynamics. Its use is summarized. The new summarized method, represents the first step toward the use of surface pressure data in an empirical method, as opposed to just balance data in the current method, for calculating jet induced effects. Although the new method is currently limited to flat plate configurations having two circular jets of equal thrust, it has the potential of more accurately predicting jet induced effects including a means for estimating the pitching moment in hover. As this method was developed from a very limited amount of data, broader applications of the method require the inclusion of new data on additional configurations. However, within this small data base, the new method does a better job in predicting jet induced effects in hover than the current method.

Wardwell, Douglas A.↗
NASA NTRS1956

The Interference Effects of a Body on the Spanwise Load Distributions of Two 45 Degree Sweptback Wings of Aspect Ratio 8.02 from Low-Speed Tests

Tests of two wing-body combinations have been conducted in the Langley 19-foot pressure tunnel at a Reynolds number of 4 x 10(exp 6) and a Mach number of 0.19 to determine the effects of the bodies on the wing span load distributions. The wings had 45 degrees sweepback of the quarter-chord line, aspect ratio 8.02, taper ratio 0.45, and incorporated 12-percent-thick airfoil sections streamwise. One wing was untwisted and uncambered whereas the second wing incorporated both twist and camber. Identical bodies of revolution, of 10:1 fineness ratio, having diameter-to-span ratios of 0.10, were mounted in mid-high-wing arrangements. The effects of wind incidence, wing fences, and flap deflection were determined for the plane uncambered wing. The addition of the body to the plane wing increased the exposed wing loading at a given lift coefficient as much as 10 percent with the body at 0 degrees incidence and 4 percent at 4 degrees incidence. The bending-moment coefficients at the wing-body juncture were increased about 2 percent with the body at 0 degrees incidence, whereas the increases were as much as 10 percent with the body at 4 degrees incidence. The spanwise load distributions due to the body on the plane wing as calculated by using a swept-wing method employing 19 spanwise lifting elements and control points generally showed satisfactory agreement with experiment. The spanwise load distributions due to body on the flapped plane wing and on the twisted and cambered wing were dissimilar to those obtained on the plane wing. Neither of the methods of calculation which were employed yielded distributions that agreed consistently with experiment for either the flapped plane wing or the twisted and cambered wing.

Martina, Albert P.↗
NASA NTRS2002

Electronic Absorption Spectra of Neutral Perylene (C20H12), Terrylene (C30H16), and Quaterrylene (C40H20) and their Positive and Negative Ions: Ne Matrix-Isolation Spectroscopy and Time Dependent Density Functional Theory Calculations

We present a full experimental and theoretical study of an interesting series of polycyclic aromatic hydrocarbons, the oligorylenes. The absorption spectra of perylene, terrylene and quaterrylene in neutral, cationic and anionic charge states are obtained by matrix-isolation spectroscopy in Ne. The experimental spectra are dominated by a bright state that red shifts with growing molecular size. Excitation energies and state symmetry assignments are supported by calculations using time dependent density functional theory methods. These calculations also provide new insight into the observed trends in oscillator strength and excitation energy for the bright states: the oscillator strength per unit mass of carbon increases along the series.

Halasinski, Thomas M.↗
NASA NTRS2006

Predictions of Leukemia Risks to Astronauts from Solar Particle Events

Leukemias consisting of acute and chronic myeloid leukemia and acute lymphatic lymphomas represent the earliest cancers that appear after radiation exposure, have a high lethality fraction, and make up a significant fraction of the overall fatal cancer risk from radiation for adults. Several considerations impact the recommendation of a preferred model for the estimation of leukemia risks from solar particle events (SPE's): The BEIR VII report recommends several changes to the method of calculation of leukemia risk compared to the methods recommended by the NCRP Report No. 132 including the preference of a mixture model with additive and multiplicative components in BEIR VII compared to the additive transfer model recommended by NCRP Report No. 132. Proton fluences and doses vary considerably across marrow regions because of the characteristic spectra of primary solar protons making the use of an average dose suspect. Previous estimates of bone marrow doses from SPE's have used an average body-shielding distribution for marrow based on the computerized anatomical man model (CAM). We have developed an 82-point body-shielding distribution that faithfully reproduces the mean and variance of SPE doses in the active marrow regions (head and neck, chest, abdomen, pelvis and thighs) allowing for more accurate estimation of linear- and quadratic-dose components of the marrow response. SPE's have differential dose-rates and a pseudo-quadratic dose response term is possible in the peak-flux period of an event. Also, the mechanistic basis for leukemia risk continues to improve allowing for improved strategies in choosing dose-rate modulation factors and radiation quality descriptors. We make comparisons of the various choices of the components in leukemia risk estimates in formulating our preferred model. A major finding is that leukemia could be the dominant risk to astronauts for a major solar particle event.

Cucinotta, F. A.↗
NASA NTRS2015

Numerical Calibration of Mass Flow Plug for Inlet Testing

A simple control volume model has been developed to calculate the discharge coefficient through a mass flow plug (MFP) and validated with a calibration experiment. The maximum error of the model within the operating region of the MFP is 0.54%. The control volume analysis developed work is comprised of a sequence of flow calculations through the MFP. The model uses the MFP geometry and operating pressure and temperature to couple continuity, momentum, energy, an equation of state, and wall shear. The discharge coefficient calculation also includes the effects of boundary layer growth, including the reduction in cross-sectional flow area as characterized by the boundary layer displacement thickness. The last calculation in the sequence uses an integral method to calculate the growth of the boundary layer, from which the displacement thickness is then determined. The result of these successive calculations is an accurate one-dimension model of the velocity, pressure, and temperature through the MFP. For comparison, a computational fluid dynamic (CFD) calibration is shown, which when compared to the presented numerical model, had a lower accuracy with a maximum error of 1.35% in addition to being slower by a factor of 100."

Flow Measurement↗
DOE OSTI2022

Calculating the grain boundary inclination of voxelated grain structures using a smoothing algorithm

We have developed a flexible method for calculating the grain boundary (GB) inclinations of voxelated grain structure data using smoothing algorithms. We compared the performance of four algorithms: the linear interpolation, Allen–Cahn, level-set, and vertex algorithms. We assessed their accuracy using 2D and 3D cases with known inclinations. The vertex algorithm provided the best balance between accuracy and efficiency for 2D structures while the linear interpolation algorithm provided the best balance for 3D structures. We compared the GB inclinations calculated using our smoothing method on a 3D high energy X-ray diffraction microscopy (HEDM) dataset to those determined by meshing the GBs. The two approaches determined similar GB plane distributions, though they varied significantly at triple junctions. In conclusion, the smoothing method was demonstrated for two sources of 3D voxelated grain structures: HEDM data and results from Monte Carlo Potts grain growth simulations.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Computation of infrared cooling rates in the water vapor bands

A fast but accurate method for calculating the infrared radiative terms due to water vapor has been developed. It makes use of the far wing approximation to scale transmission along an inhomogeneous path to an equivalent homogeneous path. Rather than using standard conditions for scaling, the reference temperatures and pressures are chosen in this study to correspond to the regions where cooling is most significant. This greatly increased the accuracy of the new method. Compared to line by line calculations, the new method has errors up to 4% of the maximum cooling rate, while a commonly used method based upon the Goody band model (Rodgers and Walshaw, 1966) introduces errors up to 11%. The effect of temperature dependence of transmittance has also been evaluated; the cooling rate errors range up to 11% when the temperature dependence is ignored. In addition to being more accurate, the new method is much faster than those based upon the Goody band model.

Chou, M. D.↗
DOE OSTI2020

CO₂ Storage prospeCtive Resource Estimation Excel aNalysis (CO₂-SCREEN) User’s Manual

This user’s manual guides the use of the National Energy Technology Laboratory’s (NETL) CO₂ Storage prospeCtive Resource Estimation Excel aNalysis (CO₂-SCREEN) tool, which was developed to aid users screening geologic formations for prospective CO₂ storage resources. This manual is specific to the CO₂-SCREEN 4.0 version which is based in Python. CO₂-SCREEN applies U.S. Department of Energy (DOE) methods and equations for estimating prospective CO₂ storage resources for saline formations, shale formations, and residual oil zones (ROZ). CO₂-SCREEN was developed to be substantive and user-friendly and provide a consistent method for calculating prospective CO₂ storage resources. CO₂-SCREEN uses a Java based graphical user interface for data inputs and uses Python to calculate prospective CO₂ storage resources.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1982

Singularity embedding method in potential flow calculations

The so-called H-type mesh is used in a finite-element (or finite-volume) calculation of the potential flow past an airfoil. Due to coordinate singularity at the leading edge, a special singular trial function is used for the elements neighboring the leading edge. The results using the special singular elements are compared to those using the regular elements. It is found that the unreasonable pressure distribution obtained by the latter is removed by the embedding of the singular element. Suggestions to extend the present method to transonic cases are given.

Jou, W. H.↗