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At least 163 records · Page 9

A model of CO-CH4 global transport/chemistry. II - Preliminary calculation by 1 dimensional model

Calculations of the one-dimensional CO-CH4 transport/chemistry model were performed to investigate the sensitivity of the OH vertical profile to various factors. The boundary conditions at the earth's surface and the tropopause are discussed. The results show that the liquid-phase or soil-phase resistance dominates the mass transfer of both CO and CH4 between the atmosphere and the earth's surface. At the tropopause, the CO and CH4 fluxes are set approximately equal to the value at the previous time step in the numerical calculation. Photolysis rate coefficients that increase with altitude modified the OH vertical profile so that the maximum value was at midtroposphere altitudes. Increasing the CO concentration caused a decrease of the OH concentration, and the OH profile was very sensitive to the NO(x) profiles. The calculated OH profiles are compared with those from other investigations and also with some available measurements. Although the available measurements of the OH profiles are limited, the calculated OH profiles agree fairly well with them.

Kitada, T.↗

Quantum chemical calculation of the equilibrium structures of small metal atom clusters

A decomposition of the molecular energy is presented that is motivated by the atom superposition and electron delocalization physical model of chemical binding. The energy appears in physically transparent form consisting of a classical electrostatic interaction, a zero order two electron exchange interaction, a relaxation energy, and the atomic energies. Detailed formulae are derived in zero and first order of approximation. The formulation extends beyond first order to any chosen level of approximation leading, in principle, to the exact energy. The structure of this energy decomposition lends itself to the fullest utilization of the solutions to the atomic sub problems to simplify the calculation of the molecular energy. If nonlinear relaxation effects remain minor, the molecular energy calculation requires at most the calculation of two center, two electron integrals. This scheme thus affords the prospects of substantially reducing the computational effort required for the calculation of molecular energies.

Kahn, L. R.↗

Calculation of two-dimensional inlet flow fields by an implicit method including viscous effects: User's manual

Inlet flow fields for airbreathing missiles are calculated by the adaptation of a two dimensional computational method developed for the flow around airfoils. A supersonic free stream is assumed to allow the forebody calculation to be uncoupled from the inlet calculation. The inlet calculation employs an implicit, time marching finite difference procedure to solve the thin layer Navier-Stokes equations formulated in body fitted coordinates. The mathematical formulation of the problem and the solution algorithm are given. Numerical stability and accuracy as well as the initial and boundary conditions used are discussed. Instructions for program use and operation along with the overall program logic are also given.

Biringen, S.↗

Theoretical calculation of low-lying states of NaAr and NaXe

Potential curves as well as dipole moments and linking transition moments are calculated for the ground X 2 Sigma + and low lying excited A 2 Pi, B 2 Sigma +, C 2 Sigma +, (4) 2 Sigma +, (2) 2 Pi and (1) 2 Delta states of NaAr and NaXe. Calculations are performed using a self-consistent field plus configuration-interaction procedure with the core electrons replaced by an ab initio effective core potential. The potential curves obtained are found to be considerably less repulsive than the semiempirical curves of Pascale and Vandeplanque (1974) and to agree well with existing experimental data, although the binding energies of those states having potential minima due to van der Waals interactions are underestimated. Emission bands are also calculated for the X 2 Sigma + - C 2 Sigma + excimer transitions of NaAr and NaXe using the calculated transition moments and potential curves, and shown to agree well with experiment on the short-wavelength side of the maximum.

Laskowski, B. C.↗

A formula for calculating theoretical photoelectron fluxes resulting from the He/+/ 304 A solar spectral line

A simplified method for the evaluation of theoretical photoelectron fluxes in the upper atmosphere resulting from the solar radiation at 304 A is presented. The calculation is based on considerations of primary and cascade (secondary) photoelectron production in the two-stream model, where photoelectron transport is described by two electron streams, one moving up and one moving down, and of loss rates due to collisions with neutral gases and thermal electrons. The calculation is illustrated for the case of photoelectrons at an energy of 24.5 eV, and it is noted that the 24.5-eV photoelectron flux may be used to monitor variations in the solar 304 A flux. Theoretical calculations based on various ionization and excitation cross sections of Banks et al. (1974) are shown to be in generally good agreement with AE-E measurements taken between 200 and 235 km, however the use of more recent, larger cross sections leads to photoelectron values a factor of two smaller than observations but in agreement with previous calculations. It is concluded that a final resolution of the photoelectron problem may depend on a reevaluation of the inelastic electron collision cross sections.

Richards, P. G.↗

Development of a locally mass flux conservative computer code for calculating 3-D viscous flow in turbomachines

The VANS successive approximation numerical method was extended to the computation of three dimensional, viscous, transonic flows in turbomachines. A cross-sectional computer code, which conserves mass flux at each point of the cross-sectional surface of computation was developed. In the VANS numerical method, the cross-sectional computation follows a blade-to-blade calculation. Numerical calculations were made for an axial annular turbine cascade and a transonic, centrifugal impeller with splitter vanes. The subsonic turbine cascade computation was generated in blade-to-blade surface to evaluate the accuracy of the blade-to-blade mode of marching. Calculated blade pressures at the hub, mid, and tip radii of the cascade agreed with corresponding measurements. The transonic impeller computation was conducted to test the newly developed locally mass flux conservative cross-sectional computer code. Both blade-to-blade and cross sectional modes of calculation were implemented for this problem. A triplet point shock structure was computed in the inducer region of the impeller. In addition, time-averaged shroud static pressures generally agreed with measured shroud pressures. It is concluded that the blade-to-blade computation produces a useful engineering flow field in regions of subsonic relative flow; and cross-sectional computation, with a locally mass flux conservative continuity equation, is required to compute the shock waves in regions of supersonic relative flow.

Walitt, L.↗

Calculation of radiation from argon shock layers

The accuracy of calculations of the radiation emissions from argon plasmas produced by the shock layers over blunt bodies is assessed. The existing theoretical and experimental spectroscopic data on argon are collated. A set of such data is selected for use in the radiative transfer calculations. Calculations are performed for the stagnation regions of the shock layers over laboratory-sized models using these data, and the results are compared with the existing experimental results obtained in a shock-tube. Through this comparison and a parametric study it is shown that radiative heat fluxes at the stagnation point in an argon environment can be calculated within an uncertainty of about 15%. It is shown also that radiative heat fluxes of the order of 100 kW/sq cm can be produced in the existing laboratory facilities.

Park, C.↗

High angle-of-attack calculations of the subsonic vortex flow on slender bodies

A nonlinear vortex-lattice method is utilized for the calculation of separated vortex flows over slender bodies at high incidence. Symmetric and asymmetric vortex flow cases are calculated showing good agreement with recently obtained experimental data for an ogive-cyclinder body at high Reynolds numbers. The only input needed for these calculations is the positions of the separation lines on the body. Studies of some of the numerical aspects of this method are described and conclusions are implemented to improve the calculations.

Almosnino, D.↗

A simple theoretical model for calculating and parameterizing the ionospheric photoelectron flux

A method for calculating the ionospheric photoelectron flux is developed which uses the concept of average electron energy loss to simplify the calculation of the degraded electron spectrum. This method requires only a knowledge of the total inelastic electron impact cross sections and can be used for the calculation of all secondary ion and excited state production rates. The simple calculation reduces the computing time by a factor of 10 and considerably reduces storage requirements. It is found that the ionospheric photoelectron flux in the local equilibrium region is directly proportional to the attenuated solar EUV flux, which is a function only of the total neutral column density, and is independent of the neutral density composition. Thus, it is shown that electron impact cross section can be chosen so that this method may also be used to parameterize the measured ionospheric photoelectron fluxes.

Richards, P. G.↗

Monte Carlo calculations of elementary particle properties

The object of this project is to calculate the masses of the elementary particles. This ambitious goal apparently is not possible using analytic methods or known approximation methods. However, it is probable that the power of a modern super computer will make at least part of the low lying mass spectrum accessible through direct numerical computation. Initial attempts by several groups at calculating this spectrum on small lattices of space time points have been very promising. Using new methods and super computers considerable progress has been made towards evaluating the mass spectrum on comparatively large lattices. Only more time and faster machines with increased storage will allow calculations of systems with guaranteed minimal boundary effects. The ideas that currently go into this calculation are outlined.

Guralnik, G. S.↗

Transonic small disturbance calculations including entropy corrections

Murman's fully conservative mixed type finite-difference operators are first modified. A special sonic point operator with an iterative damping term is introduced which helps the convergence and does not affect the spatial conservative differences. Reliable calculations with second order supersonic schemes are obtained using two sonic operators, the regular sonic point operator followed by a first order supersonic scheme. Also, shock point operator is shown to be equivalent to fitting a locally normal shock terminating the supersonic region. The potential calculations are then modified to account for the non-isentropic jump conditions using a simple shock fitting procedure based on Prandtl relation. The entropy increase across the shock is calculated in terms of the Mach number upstream of the shock and the effect of the generated vorticity is estimated via Crocco relation. Different examples are calculated and extensions to the full potential equation are discussed.

Hafez, M.↗

Comparison of measured and calculated low latitude ionospheric properties

Measurements of ionospheric parameters above Arecibo, Puerto Rico, have been compared with a computer simulation for a variety of conditions. Agreement was found between the measured and calculated electron concentration during geomagnetically quiet conditions. Comparisons for more active conditions indicate a significant upward flow of ionization during the mid-afternoon. Calculated electron temperatures were found to be consistently lower than measured temperatures during the daytime. Calculated values of NmF2 and h(max) agreed with measured results except during the post-midnight period. Calculated values of the ion flux indicate a 24-hour net flow of ionization from the northern to the Southern Hemisphere amounting to 12 percent and 6 percent of the equilibrium flux tube content above 1000 km for the winter solstice and equinox cases, respectively.

Chandler, M. O.↗

Navier-Stokes calculations for unsteady three-dimensional vortical flows in unbounded domains

Finite-difference Navier-Stokes calculations for unsteady, three-dimensional, incompressible, viscous flows induced by initial vorticity distributions are presented and discussed in this paper. The initial vorticity distributions are assumed to be embedded in a flow field of infinite extent that is quiescent at infinity. These vorticity distributions are typical of vortex rings and other closed vortical tubes or structures. Such structures are important elements in fluid flows such as jets, atmospheric convection and the far-field wakes of aircraft; studies of their interaction may aid in an understanding of complex fluid flows. The calculations employ a method recently proposed by Ting to approximate the infinite-domain boundary value problem with a finite boundary computational domain, and this method is shown to yield accurate three-dimensional results for reasonable expenditures of computer time. Because of the efficiency of the boundary condition technique and the resulting Navier-Stokes code, a 16-bit minicomputer with virtual memory was capable of performing the calculations for the unsteady motion of two obliquely colliding vortex rings. The results of these calculations are presented in the paper.

Chamberlain, J. P.↗

Numerical calculation of subsonic jets in crossflow with reduced numerical diffusion

A series of calculations are reported for two, subsonic jet in crossflow geometries. The parametric variation examined are the lateral spacing of a row of jets. The first series of calculations corresponds to a widely space jet geometry, S/D = 4, and the second series corresponds to closely spaced jets, S/D = 2. The calculations are done with alternate differencing schemes to illustrate the impact of numerical diffusion. The calculated jet trajectories agreed well with experimental data in the widely spaced jet geometry, but not in the closely spaced geometry.

Claus, R. W.↗

Application of axisymmetric analogue for calculating heating in three-dimensional flows

A rapid, approximate method has been developed for calculating the heating rates on three-dimensional vehicles such as the Space Shuttle Orbiter and other advanced reentry configurations. The method is based on the axisymmetric analogue for three-dimensional boundary layers. It uses information obtained from a three-dimensional inviscid flowfield solution, such as HALIS, to calculate inviscid surface streamlines along which approximate heating rates are calculated independent of what happens along other streamlines. Three-dimensional effects are included through the metric coefficient that describes the divergence or convergence of streamlines. Boundary-layer edge properties are obtained from the inviscid flowfield solution by interpolating in the inviscid flowfield at a distance equal to the boundary-layer thickness away from the wall. This accounts, approximately, for the variable boundary-layer edge entropy. Using this method, heating calculations can be made along a typical streamline in a few seconds. This method has been used to accurately predict heating rates for simple shapes such as a spherically blunted cone and more complex shapes such as the Shuttle Orbiter for a variety of wind-tunnel and flight conditions. A unique feature of the method is its ability to accurately predict heating rates on the Shuttle Orbiter wing.

Hamilton, H. H.↗

Fast numerical calculations of EHD sliding traction forces Application to rolling bearings

Based on analytical calculations assuming isothermal elastohydrodynamic (EHD) lubrication conditions, and on curve-fitting of a thermal correction factor, a new formula is proposed to calculate the sliding traction force developed in a concentrated contact, assuming a nonlinear, viscoelastic lubricant and undirectional sliding. When sliding occurs in the rolling and transverse directions (bidimensional sliding), a simplified numerical method is outlined by which the components of the local shear stress are quickly calculated. The latter method is applied to the calculation of the shear stress and temperature distribution in the ball-raceway contacts of an angular-contact ball bearing. Because of the viscoelastic behavior of the lubricant, a nonzero lateral traction force is obtained.

Houpert, L.↗

Numerical calculation of subsonic jets in crossflow with reduced numerical diffusion

A series of calculations are reported for two, subsonic jet in crossflow geometries. The parametric variation examined are the lateral spacing of a row of jets. The first series of calculations corresponds to a widely space jet geometry, S/D = 4, and the second series corresponds to closely spaced jets, S/D = 2. The calculations are done with alternate differencing schemes to illustrate the impact of numerical diffusion. The calculated jet trajectories agreed well with experimental data in the widely spaced jet geometry, but not in the closely spaced geometry.

Claus, R. W.↗

Computer program for calculating flow parameters and power requirements for cryogenic wind tunnels

A computer program has been written that performs the flow parameter calculations for cryogenic wind tunnels which use nitrogen as a test gas. The flow parameters calculated include static pressure, static temperature, compressibility factor, ratio of specific heats, dynamic viscosity, total and static density, velocity, dynamic pressure, mass-flow rate, and Reynolds number. Simplifying assumptions have been made so that the calculations of Reynolds number, as well as the other flow parameters can be made on relatively small desktop digital computers. The program, which also includes various power calculations, has been developed to the point where it has become a very useful tool for the users and possible future designers of fan-driven continuous-flow cryogenic wind tunnels.

Dress, D. A.↗