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Arnold, J. O.

Publications and source records attributed to Arnold, J. O..

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

The impact of supercomputers on experimentation - A view from a National Laboratory

The relative roles of large-scale scientific computers and physical experiments in several science and engineering disciplines are discussed. Increasing dependence on computers is shown to be motivated both by the rapid growth in computer speed and memory, which permits accurate numerical simulation of complex physical phenomena, and by the rapid reduction in the cost of performing a calculation, which makes computation an increasingly attractive complement to experimentation. Computer speed and memory requirements are presented for selected areas of such disciplines as fluid dynamics, aerodynamics, aerothermodynamics, chemistry, atmospheric sciences, astronomy, and astrophysics, together with some examples of the complementary nature of computation and experiment. Finally, the impact of the emerging role of computers in the technical disciplines is discussed in terms of both the requirements for experimentation and the attainment of previously inaccessible information on physical processes.

Peterson, V. L.↗
NASA NTRS1985

Computational chemistry and aeroassisted orbital transfer vehicles

An analysis of the radiative heating phenomena encountered during a typical aeroassisted orbital transfer vehicle (AOTV) trajectory was made to determine the potential impact of computational chemistry on AOTV design technology. Both equilibrium and nonequilibrium radiation mechanisms were considered. This analysis showed that computational chemistry can be used to predict (1) radiative intensity factors and spectroscopic data; (2) the excitation rates of both atoms and molecules; (3) high-temperature reaction rate constants for metathesis and charge exchange reactions; (4) particle ionization and neutralization rates and cross sections; and (5) spectral line widths.

Cooper, D. M.↗
NASA NTRS1979

Line-by-line transport calculations for Jupiter entry probes

Line-by-line calculations of the radiative transport for a condition near peak heating for entry of the Galileo probe into the Jovian atmosphere are described. The discussion includes a thorough specification of the atomic and molecular input data used in the calculations that could be useful to others working in the field. The results show that the use of spectrally averaged cross sections for diatomic absorbers such as CO and C2 in the boundary layer can lead to an underestimation (by as much as 29%) of the spectral flux at the stagnation point. On the other hand, for the turbulent region near the cone frustum on the probe, the flow tends to be optically thin, and the spectrally averaged results commonly used in coupled radiative transport-flow field calculations are in good agreement with the present line-by-line results. It is recommended that these results be taken into account in sizing the final thickness of the Galileo's heat shield.

Arnold, J. O.↗
NASA NTRS1978

A theoretical study of the electronic transition moment for the C2 Swan band system

Large-scale self-consistent-field plus configuration-interaction calculations have been performed for the a 3Pi u and d 3Pi g states of C2. The theoretical potential curves are in good agreement with those found by a Klein-Dunham analysis of measured molecular constants in terms of shape and excitation energy. The sum of the squares of the theoretical transition moments between the states at 2.44 bohr is 4.12 a.u. which agrees with the results of shock tube measurements. The variation in the sum of the squares of the theoretical moments with internuclear separation agrees with the values of Danylewych and Nicholls (1974). Based on the data for C2 and mother molecules, it is suggested that CI calculations using near Hartree-Fock quality Slater basis sets produce highly reliable transition moments.

Arnold, J. O.↗
NASA NTRS1978

A shock-tube determination of the SiO /A 1 Pi - X 1 Sigma +/ transition moment

The sum of the squares of the electronic transition moments for the A 1 Pi - X 1 Sigma + band system of SiO has been determined from absorption measurements conducted in the reflected-shock region of a shock tube. The test gas was produced by shock-heating a mixture of N2O, SiCl4, and Ar, and the spectra were recorded photographically in the 260-290-nm wavelength range. The values of the sum as a function of internuclear distance between 2.8 and 3.3 Bohr were determined by comparing the measured absorption spectrum with that produced by a line-by-line synthetic-spectrum calculation which accounted for instrumental broadening. The value of the sum so deduced at an internuclear distance of 3.0 Bohr was 1.0 + or - 0.3 atomic units.

Park, C.↗
NASA NTRS1977

Theoretical intensity parameters for the vibration-rotation bands of ClO

Intensity parameters for the vibration-rotation bands of ClO were calculated by evaluating matrix elements of the vibrational eigenfunctions using the theoretical dipole moment curve. These vibrational eigenfunctions are based on realistic Klein-Dunham potentials deduced from experimental values (Coxon et al, 1976) for certain vibrational energy levels. The data can be applied to the interpretation of remote or in situ experiments to deduce stratospheric ClO concentrations from vibration-rotation absorption spectra.

Langhoff, S. R.↗
NASA NTRS1977

MCSCF + Cl wavefunctions and properties of the X2-Pi and A2-Pi states of ClO

A multiconfiguration, self-consistent field plus configuration-interaction calculation has been performed on the X2-Pi and A2-Pi electronic states of ClO. The values of certain molecular properties computed from the wavefunctions agree well with those from experiment. The sum of the squares of the computed electronic transition moments between the X2-Pi and A2-Pi states at 3.07 bohr is 1.75 a.u., which corresponds to the experimental result of 1.58 plus or minus 0.20 a.u. The computed ground state dipole moment at the experimental equilibrium separation is 1.232 D, which compares well with two experimental results of 1.18 plus or minus 0.12 and 1.239 plus or minus 0.010 D. The value of the computed dissociation energy is 2.75 eV, which agrees well with the experimental value of 2.803 plus or minus 0.001 eV.

Arnold, J. O.↗
NASA NTRS1976

A nearly exact MCSCF+CI calculation of the dissociation energy of OH

The dissociation energy and dipole moment of the ground state of OH have been obtained with a newly developed multiconfiguration, self-consistent field plus configuration interaction CDC 7600 computer program. The computed value of the dissociation energy is 4.62 eV, which is within the uncertainty limits for the experimental value of 4.63 plus or minus 0.01 eV. The computed value of the dipole moment is 1.645 D, which is very close to the experimental result of 1.66 plus or minus 0.01 D. The present results are also compared to the data obtained from similar calculations with the BISON-MC computer program developed by Das and Wahl.

Arnold, J. O.↗
NASA NTRS1973

Composition of the earth's atmosphere by shock-layer radiometry during the PAET entry probe experiment.

A determination of the composition of the earth's atmosphere obtained from onboard radiometer measurements of the spectra emitted from the bow shock layer of a high-speed entry probe is reported. The N2, O2, CO2, and noble gas concentrations in the earth's atmosphere were determined to good accuracy by this technique. The results demonstrate unequivocally the feasibility of determining the composition of an unknown planetary atmosphere by means of a multichannel radiometer viewing optical emission from the heated atmospheric gases in the region between the bow shock wave and the vehicle surface. The spectral locations in this experiment were preselected to enable the observation of CN violet, N2(+) first negative and atomic oxygen emission at 3870, 3910, and 7775 A, respectively. The atmospheric gases were heated and compressed by the shock wave to a peak temperature of about 6100 K and a corresponding pressure of 0.4 atm. Complete descriptions of the data analysis technique and the onboard radiometer and its calibration are given.

Whiting, E. E.↗
NASA NTRS1973

Nonequilibrium effects on shock-layer radiometry during earth entry.

Radiative enhancement factors for the CN violet and N2(+) first negative band systems caused by nonequilibrium thermochemistry in the shock layer of a blunt-nosed vehicle during earth entry are reported. The results are based on radiometric measurements obtained with the aid of a combustion-driven shock tube. The technique of converting the shock-tube measurements into predictions of the enhancement factors for the blunt-body case is described, showing it to be useful for similar applications of other shock-tube measurements.

Arnold, J. O.↗
NASA NTRS1973

A shock-tube determination of the CN ground state dissociation energy and electronic transition moments for the CN violet and red band systems

The CN ground state dissociation energy and the sum of squares of the electronic transition moments of the CN violet bands have been simultaneously determined from spectral emission measurements behind incident shock waves. The unshocked test gases were composed of various CO2-CO-N2-Ar mixtures, and the temperatures behind the incident shocks ranged from 3500 to 8000 K. The variation of the electronic transition moment with internuclear separation was found to be small for both the CN violet and red band systems.

Arnold, J. O.↗