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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 NTRS1981

Simulation of charge exchange plasma propagation near an ion thruster propelled spacecraft

A model describing the charge exchange plasma and its propagation is discussed, along with a computer code based on the model. The geometry of an idealized spacecraft having an ion thruster is outlined, with attention given to the assumptions used in modeling the ion beam. Also presented is the distribution function describing charge exchange production. The barometric equation is used in relating the variation in plasma potential to the variation in plasma density. The numerical methods and approximations employed in the calculations are discussed, and comparisons are made between the computer simulation and experimental data. An analytical solution of a simple configuration is also used in verifying the model.

Robinson, R. S.↗
NASA NTRS2010

Summary of the Fourth AIAA CFD Drag Prediction Workshop

Results from the Fourth AIAA Drag Prediction Workshop (DPW-IV) are summarized. The workshop focused on the prediction of both absolute and differential drag levels for wing-body and wing-body-horizontal-tail configurations that are representative of transonic transport air- craft. Numerical calculations are performed using industry-relevant test cases that include lift- specific flight conditions, trimmed drag polars, downwash variations, dragrises and Reynolds- number effects. Drag, lift and pitching moment predictions from numerous Reynolds-Averaged Navier-Stokes computational fluid dynamics methods are presented. Solutions are performed on structured, unstructured and hybrid grid systems. The structured-grid sets include point- matched multi-block meshes and over-set grid systems. The unstructured and hybrid grid sets are comprised of tetrahedral, pyramid, prismatic, and hexahedral elements. Effort is made to provide a high-quality and parametrically consistent family of grids for each grid type about each configuration under study. The wing-body-horizontal families are comprised of a coarse, medium and fine grid; an optional extra-fine grid augments several of the grid families. These mesh sequences are utilized to determine asymptotic grid-convergence characteristics of the solution sets, and to estimate grid-converged absolute drag levels of the wing-body-horizontal configuration using Richardson extrapolation.

Vassberg, John C.↗
NASA NTRS1979

A coupled radiative-convective-photochemical model of the stratosphere

A one-dimensional atmospheric model is described. The neutral photochemical processes of the troposphere and stratosphere are presented by a reaction set of 87 kinetic processes and 28 photolytic reactions, with vertical transport being taken into account by an eddy diffusion parameter. The vertical temperature profiles are coupled with the chemical calculations by means of a radiative-convective code. The model has the capability of including effects of multiple scattering and diurnal variations in species concentrations. The numerical solution methodology is described in detail, and current input data are given along with results obtained in a sample calculation.

Boughner, R. E.↗
NASA NTRS1974

Numerical calculations of velocity and pressure distribution around oscillating airfoils

An analytical procedure based on the Navier-Stokes equations was developed for analyzing and representing properties of unsteady viscous flow around oscillating obstacles. A variational formulation of the vorticity transport equation was discretized in finite element form and integrated numerically. At each time step of the numerical integration, the velocity field around the obstacle was determined for the instantaneous vorticity distribution from the finite element solution of Poisson's equation. The time-dependent boundary conditions around the oscillating obstacle were introduced as external constraints, using the Lagrangian Multiplier Technique, at each time step of the numerical integration. The procedure was then applied for determining pressures around obstacles oscillating in unsteady flow. The obtained results for a cylinder and an airfoil were illustrated in the form of streamlines and vorticity and pressure distributions.

Bratanow, T.↗
DOE OSTI2021

From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis

Quantum chemistry in the form of density functional theory (DFT) calculations is a powerful numerical experiment for predicting intermolecular interaction energies. However, no chemical insight is gained in this way beyond predictions of observables. Energy decomposition analysis (EDA) can quantitatively bridge this gap by providing values for the chemical drivers of the interactions, such as permanent electrostatics, Pauli repulsion, dispersion, and charge transfer. These energetic contributions are identified by performing DFT calculations with constraints that disable components of the interaction. This review describes the second-generation version of the absolutely localized molecular orbital EDA (ALMO-EDA-II). The effects of different physical contributions on changes in observables such as structure and vibrational frequencies upon complex formation are characterized via the adiabatic EDA. Example applications include red- versus blue-shifting hydrogen bonds; the bonding and frequency shifts of CO, N 2 , and BF bound to a [Ru(II)(NH 3 ) 5 ] 2 + moiety; and the nature of the strongly bound complexes between pyridine and the benzene and naphthalene radical cations. Additionally, the use of ALMO-EDA-II to benchmark and guide the development of advanced force fields for molecular simulation is illustrated with the recent, very promising, MB-UCB potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Theoretical studies of massive stars. I - Evolution of a 15-solar-mass star from the zero-age main sequence to neon ignition

The evolution of a star with mass 15 times that of the sun from the zero-age main sequence to neon ignition has been computed by the Henyey method. The hydrogen-rich envelope and all shell sources were explicitly included in the models. An algorithm has been developed for approximating the results of carbon burning, including the branching ratio for the C-12 + C-12 reaction and taking some secondary reactions into account. Penetration of the convective envelope into the core is found to be unimportant during the stages covered by the models. Energy transfer from the carbon-burning shell to the core by degenerate electron conduction becomes important after the core carbon-burning stage. Neon ignition will occur in a semidegenerate core and will lead to a mild 'flash.' Detailed numerical results are given in an appendix. Continuation of the calculations into later stages and variations with the total mass of the star will be discussed in later papers.

Endal, A. S.↗
NASA NTRS1994

Elemental abundances of the supernova remnant G292.0+1.8: Evidence for a massive progenitor

We present a comprehensive nonequilibrium ionization (NEI) analysis of X-ray spectral data from the Einstein Observatory and EXOSAT for the supernova remnant G292.0+1.8. The spectra are well described by a single-temperature, single-timescale NEI model with kT = 1.64(sub -0.19)(sup +0.29) keV and n(sub e)t = (5.55(sub -1.12)(sup +1.2) x 10(exp 10)s/cu cm, which establishes that this remnant is indeed young and in the ionizing phase of evolution of its X-ray spectrum. We determine the abundances of the elements O, Ne, Mg, Si, S, Ar, and Fe and examine their variation over the allowed range of column density, kT, and n(sub e)t. Numerical calculations of the nucleosynthesis expected for a 25 solar mass progenitor agree best with the fitted abundances; in fact the minimum rms percent difference between this model and the derived abundances is only 15%. From the fitted emission measure and a simple geometric model of the remnant we estimate the mass of X-ray-emitting plasma to be 9.3(sub -6.2)(sup +1.19) solar mass, for an assumed distance of 4.8 +/- 1.6 kpc. Additional errors on this mass estimate, from clumping of the ejecta, for example, may be substantial. No evidence was found for a difference in the thermodynamic state of the plasma as a function of elemental composition based on analysis of the individual ionization timescales of the various species. In this sense then, G292.0+1.8 resembles the remnant Cas A (another product of a massive star supernova), while it is different from the remnants of SN 1572 (Tycho) and SN 1006, both of which are believed to be from Type Ia supernovae.

Hughes, John P.↗
NASA NTRS1985

Applications of variational principles in computing rotational flows

Ecer and Akay (1983) have developed a variational formulation of rotational flow for Euler equations. The present paper provides a summary of these developments. The considered variational formulation provides a transformation of a type considered by Clebsch (1859). In this transformation, a new set of variables replaces the more commonly used primitive variables u(i), rho and p. Here, u(i) denotes the velocity components, while rho is the density, and p the pressure. The employed transformation produces a natural uncoupling of the equations when written in a quasi-linear form. After obtaining the governing equations in terms of the 'Clebsch variables', a solution scheme developed for calculating steady flows is discussed. Attention is given to numerical solutions of Euler equations based on the derived variational principles, and a study of inviscid, separated flows is conducted.

Ecer, A.↗
NASA NTRS1985

Preconditioned minimal residual methods for Chebyshev spectral calculations

The problem of preconditioning the pseudospectral Chebyshev approximation of an elliptic operator is considered. The numerical sensitiveness to variations of the coefficients of the operator are investigated for two classes of preconditioning matrices: one arising from finite differences, the other from finite elements. The preconditioned system is solved by a conjugate gradient type method, and by a Dufort-Frankel method with dynamical parameters. The methods are compared on some test problems with the Richardson method and with the minimal residual Richardson method.

Canuto, C.↗
NASA NTRS1974

Analysis of three-dimensional unsteady flow around oscillating wings

A method based on the Navier-Stokes equations was developed for determining analytically the three-dimensional unsteady flow patterns around oscillating wings. The Helmholz vorticity transport equations were discretized in three-dimensional finite element form from a variational formulation and integrated numerically. At each time step of the numerical integration the velocity field was calculated from the representation of the three-dimensional wing by a system of optimized distribution of vortices in space. During the numerical integration of the vorticity transport equations the time-dependent boundary conditions on the wing were specified as external constraint conditions. Examples of obtained results describing the three-dimensional unsteady flow around a wing were presented.

Bratanow, T.↗
NASA NTRS1988

Shape optimization of 3D continuum structures via force approximation techniques

The existing need to develop methods whereby the shape design efficiency can be improved through the use of high quality approximation methods is addressed. An efficient approximation method for stress constraints in 3D shape design problems is proposed based on expanding the nodal forces in Taylor series with respect to shape variations. The significance of this new method is shown through elementary beam theory calculations and via numerical computations using 3D solid finite elements. Numerical examples including the classical cantilever beam structure and realistic automotive parts like the engine connecting rod are designed for optimum shape using the proposed method. The numerical results obtained from these methods are compared with other published results, to assess the efficiency and the convergence rate of the proposed method.

Vanderplaats, Garret N.↗
NASA NTRS1991

Mission and system optimization of nuclear electric propulsion vehicles for lunar and Mars missions

The detailed mission and system optimization of low thrust electric propulsion missions is a complex, iterative process involving interaction between orbital mechanics and system performance. Through the use of appropriate approximations, initial system optimization and analysis can be performed for a range of missions. The intent of these calculations is to provide system and mission designers with simple methods to assess system design without requiring access or detailed knowledge of numerical calculus of variations optimizations codes and methods. Approximations for the mission/system optimization of Earth orbital transfer and Mars mission have been derived. Analyses include the variation of thruster efficiency with specific impulse. Optimum specific impulse, payload fraction, and power/payload ratios are calculated. The accuracy of these methods is tested and found to be reasonable for initial scoping studies. Results of optimization for Space Exploration Initiative lunar cargo and Mars missions are presented for a range of power system and thruster options.

Gilland, James H.↗
NASA NTRS2006

The Use of RGPS Kinematic Data to Estimate Nonlinear Sea Ice Motion

In current simulations of the interaction between sea ice and its environment, large significance is placed on the deformation of the sea ice. Sea ice deformation is an important process in determining the sea ice thickness distribution across a wide range of space and time scales. Changes in the sea ice thickness distribution affect energy and mass fluxes between the atmosphere and ocean and also the strength of the ice. While most current ice models assume linear variation in the ice motion field to calculate strain, deformation of sea ice occurs through the opening, closing and shearing of ice along discrete linear features. New numerical models are being developed which explicitly account for discontinuities in ice motion, and the need for requisite data sets for model validation has emerged. Multiple buoy data sets, as well as satellite data, have been used to examine the movement and deformation of sea ice. Generally it has been found that the ice motion field has been represented well by buoy data, as well as satellite data over a broad range of scales. However, the underlying deformation (spatial variation in displacement) as represented by different data sets may vary. For the work presented here, sea ice motion In current simulations of the interaction between sea ice and its environment, large significance is placed on the deformation of the sea ice. Sea ice deformation is an important process in determining the sea ice thickness distribution across a wide range of space and time scales. Changes in the sea ice thickness distribution affect energy and mass fluxes between the atmosphere and ocean and also the strength of the ice. While most current ice models assume linear variation in the ice motion field to calculate strain, deformation of sea ice occurs through the opening, closing and shearing of ice along discrete linear features. New numerical models are being developed which explicitly account for discontinuities in ice motion, and the need for requisite data sets for model validation has emerged. Multiple buoy data sets, as well as satellite data, have been used to examine the movement and deformation of sea ice. Generally it has been found that the ice motion field has been represented well by buoy data, as well as satellite data over a broad range of scales. However, the underlying deformation (spatial variation in displacement) as represented by different data sets may vary. For the work presented here, sea ice motio

Pruis, M.↗
NASA NTRS1994

Effect of nonzero surface admittance on receptivity and stability of compressible boundary layer

The effect of small-amplitude short-scale variations in surface admittance on the acoustic receptivity and stability of two-dimensional compressible boundary layers is examined. In the linearized limit, the two problems are shown to be related both physically and mathematically. This connection between the two problems is used, in conjunction with some previously reported receptivity results, to infer the modification of stability properties due to surface permeability. Numerical calculations are carried out for a self-similar flat-plate boundary layer at subsonic and low supersonic speeds. Variations in mean suction velocity at the perforated admittance surface can also induce receptivity to an acoustic wave. For a subsonic boundary layer, the dependence of admittance-induced receptivity on the acoustic-wave orientation is significantly different from that of the receptivity produced via mean suction variation. The admittance-induced receptivity is generally independent of the angle of acoustic incidence, except in a relatively narrow range of upstream-traveling waves for which the receptivity becomes weaker. However, this range of angles is precisely that for which the suction-induced receptivity tends to be large. At supersonic Mach numbers, the admittance-induced receptivity to slow acoustic models is relatively weaker than that in the case of the fast acoustic modes. We also find that purely real values for the surface admittance tend to have a destabilizing effect on the evolution of an instability wave over a slightly permeable surface. The limits on the validity of the linearized approximation are also assessed in one specific case.

Choudhari, Meelan↗
NASA NTRS1992

Calculating Shocks In Chemically Reacting Flows

Total-variation-diminishing dissipation operator results in crisp shocks. Report discusses method for numerical simulation of shocks in hypersonic, chemically reacting flows. Introduces mathematical model of gas of as many as three species for which species-conservation equations coupled with gas-dynamic equations.

Eberhardt, Scott↗
NASA NTRS1979

Interfacial geometry and D-variation effects in two-phase systems

Numerical solutions of the governing diffusion equation for two-phase concentration dependent diffusion coefficients are examined. Solutions were also calculated for planar, cylindrical, and spherical geometries to compare the effect of interface geometries with those caused by concentration-dependent diffusion coefficients, and two methods of averaging D were considered to determine the best averaging method for different types of D-variations. The effects of interface-location criteria on mass conservation and convergence of interface location, diffusion coefficient variation in the alpha and beta-phases of a two-phase binary alloy system, effect of D(alpha) variation in a cylindrical couple on beta-phase thickness, and geometry and D-variation effects on the degree of homogenization were determined. It is concluded that typical D(alpha)-variations can have a greater influence on the kinetics of interdiffusion than the geometry.

Tenney, D. R.↗