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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Full CI benchmark calculations for several states of the same symmetry

Full CI (FCI) wave functions are used to compute energies for several electronic states of the same symmetry for SiH2, CH2, and CH2(+). It is found that CASSCF/multireference CI wave functions yield results very similar to FCI, irrespective of whether the CASSCF MOs are optimized independently for each state or using an average of the CASSCF energies for all desired states. The ionization potentials and excitation energies obtained from the FCI calculations should help calibrate methods (such as Green's function approaches, equations of motion and propagator methods, and cluster expansions) in which energy differences are computed directly.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1983

Aeroacoustic computation of cylinder wake flow

Sound generation by uniform flow over a cylinder at the Reynolds number of 200 is calculated. The incompressible, time dependent flow field is first computed by standard computational fluid dynamics techniques using a stream function/vorticity formulation. The sound radiation is then obtained by integrating over the flow field with the Coriolis acceleration as the source term and a low frequency Green's function technique. Time histories, spectra, and directivity of the radiated sound are obtained. Comparisons with experimental data, where possible, indicate the feasibility of this computational aeroacoustics approach.

Hardin, J. C.↗
NASA NTRS1977

On the factorization and fitting of molecular scattering information

The reported analysis is based on the factored IOS T-matrix. It is shown that line shape measurements may be used over a range of temperatures to evaluate inelastic scattering cross sections. Basic factorization or parameterization relations are derived by considering the wavefunction equations. The parameterization of cross sections is considered, taking into account the differential scattering amplitude and cross section, integral cross sections, phenomenological cross sections for general relaxation processes, and viscosity and diffusion cross sections. Thermal averages and rates are discussed, giving attention to integral cross sections and rates, and general phenomenological cross sections. The results of computational studies are also presented.

Goldflam, R.↗
NASA NTRS1993

Modelling intelligent behavior

An introductory discussion of the related concepts of intelligence and consciousness suggests criteria to be met in the modeling of intelligence and the development of intelligent materials. Methods for the modeling of actual structure and activity of the animal cortex have been found, based on present knowledge of the ionic and cellular constitution of the nervous system. These have led to the development of a realistic neural network model, which has been used to study the formation of memory and the process of learning. An account is given of experiments with simple materials which exhibit almost all properties of biological synapses and suggest the possibility of a new type of computer architecture to implement an advanced type of artificial intelligence.

Green, H. S.↗
NASA NTRS1993

Sensitivity derivatives for advanced CFD algorithm and viscous modelling parameters via automatic differentiation

The computational technique of automatic differentiation (AD) is applied to a three-dimensional thin-layer Navier-Stokes multigrid flow solver to assess the feasibility and computational impact of obtaining exact sensitivity derivatives typical of those needed for sensitivity analyses. Calculations are performed for an ONERA M6 wing in transonic flow with both the Baldwin-Lomax and Johnson-King turbulence models. The wing lift, drag, and pitching moment coefficients are differentiated with respect to two different groups of input parameters. The first group consists of the second- and fourth-order damping coefficients of the computational algorithm, whereas the second group consists of two parameters in the viscous turbulent flow physics modelling. Results obtained via AD are compared, for both accuracy and computational efficiency with the results obtained with divided differences (DD). The AD results are accurate, extremely simple to obtain, and show significant computational advantage over those obtained by DD for some cases.

Green, Lawrence L.↗
NASA NTRS1994

Radiation and scattering from printed antennas on cylindrically conformal platforms

The goal was to develop suitable methods and software for the analysis of antennas on cylindrical coated and uncoated platforms. Specifically, the finite element boundary integral and finite element ABC methods were employed successfully and associated software were developed for the analysis and design of wraparound and discrete cavity-backed arrays situated on cylindrical platforms. This work led to the successful implementation of analysis software for such antennas. Developments which played a role in this respect are the efficient implementation of the 3D Green's function for a metallic cylinder, the incorporation of the fast Fourier transform in computing the matrix-vector products executed in the solver of the finite element-boundary integral system, and the development of a new absorbing boundary condition for terminating the finite element mesh on cylindrical surfaces.

Kempel, Leo C.↗
NASA NTRS2001

2D Quantum Transport Modeling in Nanoscale MOSFETs

We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on an equal footing. Electron bandstructure is treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are consistent with 1D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller leakage current than the longer gate length device without a significant trade-off in on-current.

Svizhenko, Alexei↗
NASA NTRS2000

2D Quantum Mechanical Study of Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25, 50 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. Surprisingly, the self-consistent potential profile shows lower injection barrier in the channel in quantum case. These results are qualitatively consistent with ID Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗
NASA NTRS2001

2D Quantum Transport Modeling in Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density- gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Quantum simulations are focused on MIT 25, 50 and 90 nm "well- tempered" MOSFETs and compared to classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are quantitatively consistent with I D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and sub-threshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗
NASA NTRS2018

Imaging for Hypersonic Experimental Aeroheating Testing (IHEAT) Version 4.0: User Manual

The IHEAT v4.0 software is a data reduction code for global thermography data acquired in the NASA Langley Aerothermodynamics Laboratory (LAL) hypersonic wind tunnels. IHEAT uses red and green color-intensity data from two-dimensional images of wind tunnel models to compute temperatures and heat-transfer rates using a semi-infinite, one-dimensional heat transfer approximation at each image pixel. Multiple automated tools in IHEAT v4.0 decrease the time required to reduce the data from a phosphor thermography wind tunnel run. Data at one or all of the image pixel locations can be exported to computer files for further analysis. The prior version of IHEAT, v3.2, was written in PV-WAVE® (now owned by Rogue Wave® Software) in 1994 and was limited in functionality to fit within the memory constraints of the available computers at the time. IHEAT v4.0 is written in MATLAB® by MathWorks® and contains several new features that leverage the increase in available memory of the current computers. A Piecewise tool permits the user to extract data along a segmented line cut that can follow interesting features in the image better than the single, straight line cuts that were possible with the legacy Length and Profile tools. The new Load Run and Batch tools facilitate batch processing by loading in all of the input files and images for a run at the same time. Load Run permits the user to process the available run images manually, while Batch automatically saves heat transfer data from all of the images based on the analysis previously performed on a single frame. IHEAT v4.0 also can automatically calculate the temporal collapse of reference line cuts from the time history heating data for a run to indicate the appropriate frame to reduce for each run. The IHEAT v4.0 source code was compiled into a standalone executable file that can be accessed remotely from several computers with different operating systems, simultaneously. The software is run through the MATLAB® Compiler Runtime engine, and therefore, IHEAT does not require a software license to run. Any software commands executed in the IHEAT v4.0 code will not affect other similar applications running on the same machine. Similarly, changes to the parent software do not affect a compiled code. These features of IHEAT v4.0 are improvements over the legacy v3.2 code, which required regular maintenance to avoid losing functionality as the PVWAVE ® programming language was upgraded.

Mason, Michelle L.↗
NASA NTRS1979

A simplified computer program for the prediction of the linear stability behavior of liquid propellant combustors

A program for predicting the linear stability of liquid propellant rocket engines is presented. The underlying model assumptions and analytical steps necessary for understanding the program and its input and output are also given. The rocket engine is modeled as a right circular cylinder with an injector with a concentrated combustion zone, a nozzle, finite mean flow, and an acoustic admittance, or the sensitive time lag theory. The resulting partial differential equations are combined into two governing integral equations by the use of the Green's function method. These equations are solved using a successive approximation technique for the small amplitude (linear) case. The computational method used as well as the various user options available are discussed. Finally, a flow diagram, sample input and output for a typical application and a complete program listing for program MODULE are presented.

Mitchell, C. E.↗
NASA NTRS1993

Unsteady three-dimensional thermal field prediction in turbine blades using nonlinear BEM

A time-and-space accurate and computationally efficient fully three dimensional unsteady temperature field analysis computer code has been developed for truly arbitrary configurations. It uses boundary element method (BEM) formulation based on an unsteady Green's function approach, multi-point Gaussian quadrature spatial integration on each panel, and a highly clustered time-step integration. The code accepts either temperatures or heat fluxes as boundary conditions that can vary in time on a point-by-point basis. Comparisons of the BEM numerical results and known analytical unsteady results for simple shapes demonstrate very high accuracy and reliability of the algorithm. An example of computed three dimensional temperature and heat flux fields in a realistically shaped internally cooled turbine blade is also discussed.

Martin, Thomas J.↗
NASA NTRS1977

Validity of approximate methods in molecular scattering. III - Effective potential and coupled states approximations for differential and gas kinetic cross sections

Two dimensionality-reducing approximations, the j sub z-conserving coupled states (sometimes called the centrifugal decoupling) method and the effective potential method, were applied to collision calculations of He with CO and with HCl. The coupled states method was found to be sensitive to the interpretation of the centrifugal angular momentum quantum number in the body-fixed frame, but the choice leading to the original McGuire-Kouri expression for the scattering amplitude - and to the simplest formulas - proved to be quite successful in reproducing differential and gas kinetic cross sections. The computationally cheaper effective potential method was much less accurate.

Monchick, L.↗
NASA NTRS1979

Summary of Jimsphere wind profiles: Programs, data, comments, part 1

Jimsphere wind profiles are documented for the following ranges and installations: Eastern Test Range, Cape Kennedy, Florida; Western Test Range; Point Mugu, California; White Sands Missile Range, New Mexico; Wallops Island, Virginia; Green River, Utah; and Vandenberg Air Force Base, California. Profile information for 1964-1977 includes data summaries, computer formats, frequency distributions, composite listings, etc., for use in establishing and interpreting natural environment criteria for aeronautical vehicle design and engineering operations.

Willett, J. A.↗
NASA NTRS1986

The statistics of gravitational lenses. III - Astrophysical consequences of quasar lensing

The method of Schmidt and Green (1983) for calculating the luminosity function of quasars is combined with gravitational-lensing theory to compute expected properties of lensed systems. Multiple quasar images produced by galaxies are of order 0.001 of the observed quasars, with the numbers over the whole sky calculated to be (0.86, 120, 1600) to limiting B magnitudes of (16, 19, 22). The amount of 'false evolution' is small except for an interesting subset of apparently bright, large-redshift objects for which minilensing by starlike objects may be important. Some of the BL Lac objects may be in this category, with the galaxy identified as the parent object really a foreground object within which stars have lensed a background optically violent variable quasar.

Ostriker, J. P.↗