Engineering topics

Arnold, James O.

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

159 records · Page 9

NASA NTRS1994

Theoretical Study of the Nitric Oxide epsilon and 1100 A Bands

Potential-energy curves, transition-moment functions, Einstein Alpha coefficients and radiative lifetimes associated with the Rydberg state of nitric oxide are calculated in large Gaussian basis sets employing internally contracted MRCI from state-averaged CASSCF wave functions. Computationally, a strong sensitivity of the results to the choice of the CASSCF active space is seen, and careful examination of this behavior gives insight into matters related to the treatment of weakly occupied orbitals, which is a consideration in any study Rydberg excited states. The epsilon system transition-moment function and radiative lifetimes are in disagreement with another calculation in the literature, but reasons for the discrepancies are examined, and the present results are determined to be more accurate.

Sheehy, Jeffrey A.↗

NASA NTRS1994

Towards Understanding the Fluid Dynamic Phenomenon of Interest to Rocket Base Heating: A Review

The significance of the base heating problem for rockets during ascent is due to the complex interaction between the rocket nozzle plumes and the external-flow which can change the flow characteristics in the base region dramatically. At lower altitudes the external-flow merges with the plume-flow, without the formation of a large separated flow region, and the cooler external-flow promotes convective cooling of the base wall. Under these conditions the majority of the base heating is due to radiative heating from the shock heated plume gases. At higher altitudes, however, the process of base heating is not so straightforward. The plume and the base flow expands dramatically and separated flow regions occur in the base area. Hot exhaust gases from the rocket nozzle will be entrained into the separated flow regions and produce a convective component to the base wall heating. Further, if the rocket exhaust-gas contains soot, the soot can increase the emission from the gas and dramatically increase the wall absorption coefficient for radiative heating if it is deposited on the walls . In addition, if the rocket exhaust gas is fuel rich, the fuel can bum in the separated flow regions and further increase the base heating. The base burning phenomenon, and the increased base heating caused by it at higher altitudes, have been observed for the Space Shuttle and Saturn Rocket. Under these conditions, the total heating is significantly higher than the heating without separated flow in the base region, and the increase in heating is directly attributable to the fluid dynamic complexity of the base region. Realistic simulation of the base heating requires that the calculated flow environment reproduce the fluid dynamic flow features accurately. Thus, it will be necessary to introduce into the CFD codes the capability for the flow to respond to the complex vehicle geometry, the effect of turbulence, the ability to accurately reproduce the plume shock/shear layer structures and capture such phenomenon as shock induced base separation and base-burning phenomenon. A survey of experimental, theoretical and computational work that details the fluid dynamics of the base flow environment will be presented in the proposed paper. CFD simulations of rocket base flows using standard CFD codes such as OVERFLOW or GASP will be explored to capture these phenomenon accurately. Merits and limitations of these codes for base flow environment predictions will be explored.

Venkatapathy, E.↗

NASA NTRS1994

Material Properties for Fiber-Reinforced Silica Aerogels

Ceramic fiber-reinforced silica aerogels are novel materials for high performance insulation, including thermal protection materials. Experimental data are presented for the thermal and mechanical properties, showing the trends exhibited over a range of fiber loadings and silica aerogel densities. Test results are compared to that of unreinforced bulk aerogels.

White, Susan↗

NASA NTRS1994

Large Scale Scramjet Propulsion Testing In The Mach 8 and 16 Regime At NASA Ames Research Center

The objective of this paper is to describe the affordable, large scale scramJet test capability for flight Mach numbers between 8 and 16 which has been developed at the NASA Ames Research Center. Details of the Direct Connect Arc Facility DCAF, which can produce combustor test conditions with fuel-on testing for 10 seconds at conditions representative of Mach 8 - 12 flight, are presented and typical test results are described. Likewise, a description of the full scale combustor test capability of the 16 inch shock tunnel is outlined. This facility is characterized by long run times (> 5 milliseconds) for an impulse facility, and it can provide conditions representative of flight conditions from Mach 12 - 16. Typical test results for this shock tunnel are discussed as well. Future upgrades to both facilities are outlined and new uses for their capabilities are discussed.

Arnold, James O.↗

NASA NTRS1994

Axisymmetric Time-Dependent Computations of Expansion Tube Flow

The goal of this work is to add insight about the flow within expansion tubes by using computational fluid dynamics. This is accomplished by comparing the results of axisymmetric numerical simulations with finite-rate chemistry to data from the HYPULSE expansion tube facility which was previously the NASA Langley expansion tube. The numerical simulations begin at the opening of the primary diaphragm and compute the flow throughout the whole facility and, thus, are able to follow and assess the effect of many of the flow features created during operation of the facility. One particular issue that will be investigated is the effect of boundary layer formation in the acceleration tube on the test gas volume and test gas conditions. Both laminar and turbulent boundary layers will be implemented. The effect of momentary shock reflection off the secondary diaphragm will also be investigated. There is concern that such a reflection will stagnate the test gas and create high levels of dissociated molecules. This is particularly important in propulsion experiments where a freestream composition different from flight conditions may influence ignition and burning data. Several different models of diaphragm rupture will be implemented in order to help understand the importance of this issue.

Wilson, Gregory J.↗

NASA NTRS1994

Ab Initio Calculations Applied to Problems in Metal Ion Chemistry

Electronic structure calculations can provide accurate spectroscopic data (such as molecular structures) vibrational frequencies, binding energies, etc.) that have been very useful in explaining trends in experimental data and in identifying incorrect experimental measurements. In addition, ab initio calculations. have given considerable insight into the many interactions that make the chemistry of transition metal systems so diverse. In this review we focus on cases where calculations and experiment have been used to solve interesting chemical problems involving metal ions. The examples include cases where theory was used to differentiate between disparate experimental values and cases where theory was used to explain unexpected experimental results.

Bauschlicher, Charles W., Jr.↗

NASA NTRS1994

Electron Correlation in 4-Component Relativistic Calculations

The full 4-component Dirac-Coulomb equation can nowadays be used in molecular calculations, The first step in solving this relativistic many-electron equation usually consists of solving the closed or open-shell Diarc-Fock equations. Like in non-relativistic calculations the outcome does not account for the effects of electron correlation. This can in principle be remedied by developing relativistic variants of electron correlation methods like Configuration Interaction or Coupled Cluster. In this talk the differences and similarities of such relativistic approaches as compared to non-relativistic methods will be reviewed. Results of Configuration Interaction calculations on the PtH molecule and on the MeF(sub 6, sup 2-) (Me= Co, Rh, Ir) complexes will be presented to give an impression of the kind of results that currently can be obtained.

Visscher, Luuk↗

NASA NTRS1994

Theoretical Study of the First Transition Row Oxides and Sulfides

The first transition row oxides and sulfides are studied using several different levels of theory. The calculations show the bonding mechanism in the sulfides and oxides to be very similar. For the oxides, accurate experimental data allow the theoretical methods to be calibrated. The same level of theory is used to study the sulfides where there is far less experimental information. For ScO through MnO and CuO the coupled cluster singles and doubles technique including a perturbational estimate of the unliked triple excitations [CCSD(T)] yields spectroscopic constants ((tau)e, (omega)e, and D0) in good agreement with experiment. The triple excitations are found to be very important in achieving this accuracy. For FeO to NiO, the single determinant self-consistent-field (SCF) approach yields pi orbitals that are localized on the metal or oxygen. This appears to cause problems for the single reference techniques; this is discussed in detail for NiO. The complete-active-space SCF/internally contracted averaged coupled pair functional approach (CASSCF/ICACPF) works well for FeO to NiO. The calculation of accurate dipole moments is found to be very difficult.

Bauschlicher, Charles W., Jt.↗

NASA NTRS1994

Trajectory Based Heating and Ablation Calculations for MESUR Pathfinder Aeroshell

Based on the geometry of Mars Environment Survey (MESUR) Pathfinder aeroshell and an estimated Mars entry trajectory, two-dimensional axisymmetric time dependent calculations have been obtained using GIANTS (Gauss-Siedel Implicit Aerothermodynamic Navier-Stokes code with Thermochemical Surface Conditions) code and CMA (Charring Material Thermal Response and Ablation) Program for heating analysis and heat shield material sizing. These two codes are interfaced using a loosely coupled technique. The flowfield and convective heat transfer coefficients are computed by the GIANTS code with a species balance condition for an ablating surface, and the time dependent in-depth conduction with surface blowing is simulated by the CMA code with a complete surface energy balance condition. In this study, SLA-561V has been selected as heat shield material. The solutions, including the minimum heat shield thicknesses over aeroshell forebody, pyrolysis gas blowing rates, surface heat fluxes and temperature distributions, flowfield, and in-depth temperature history of SLA-561V, are presented and discussed in detail.

Chen, Y. K.↗

NASA NTRS1994

Stress Calculations on Diamond Surfaces

Calculations were carried out to evaluate stresses for atoms located in the top several layers of (100)-(1x1), (100)-(2x1) and (111)-(1x1) surfaces of diamond. Only equilibrated surfaces were taken into consideration in this investigation. Stress values in the direction perpendicular to the exposed surface vanish. In lateral directions, however, stresses have non-vanishing values, in general. For the (100) surfaces calculated stress values are anisotropic. While the (2 x 1) reconstructed surface is under compression in both directions, calculations for the unreconstructed (1 x 1) plane, produced a compressive stress in one direction and a slight tension in the other. On the (111) surface, isotropic and relatively low compressive stress values were found. Present calculations indicate that atoms located only in a few top layers have lateral excess stresses which vanish very quickly for the atoms of interior layers as departing from the exposed surface.

Halicioglu, Timur↗

NASA NTRS1994

A New Global Potential Energy Surface for the Hydroperoxyl Radical, HO2: Reaction Coefficients for H + O2 and Vibrational Splittings for H Atom Transfer

A new analytic global potential energy surface describing the hydroperoxyl radical system H((sup 2)S) + O2(X (sup 3)Sigma((sup -)(sub g))) (reversible reaction) HO2 ((X-tilde) (sup 2)A'') (reversible reaction) O((sup 3)P) + O H (X (sup 2)Pi) has been fitted using the ab initio complete active space SCF (self-consistent-field)/externally contracted configuration interaction (CASSCF/CCI) energy calculations of Walch and Duchovic. Results of quasiclassical trajectory studies to determine the rate coefficients of the forward and reverse reactions at combustion temperatures will be presented. In addition, vibrational energy levels were calculated using the quantum DVR-DGB (discrete variable representation-distributed Gaussian basis) method and the splitting due to H atom migration is investigated. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

Dateo, Christopher E.↗

NASA NTRS1994

Rotational Relaxation in Nonequilibrium Freejet Expansions of Heated Nitrogen

Rotational temperatures have been measured in rarefied, nonequilibrium, heated freejet expansions of nitrogen using the electron beam fluorescence technique at the University of California at Berkeley Low Density Wind Tunnel facility. Spectroscopic measurements of the (0,0) band of the first negative system of nitrogen reveal the nonequilibrium behavior in the flowfield upstream of, and through the Mach disk, which forms as the freejet expands into a region of finite back pressure. Results compare well with previous freejet expansion data and computations regarding location of the Mach disk and terminal rotational temperature in the expansion. Measurements are also presented for shock thickness based on the rotational temperature changes in the flow. Thickening shock layers, departures of rotational temperature from equilibrium in the expansion region, and downstream rotational temperature recovery much below that of an isentropic normal shock provide indications of the rarefied, nonequilibrium flow behavior. The data are analyzed to infer constant values of the rotational-relaxation collision number from 2.2 to 6.5 for the various flow conditions. Collision numbers are also calculated in a consistent manner for data from other investigations for which is seen a qualitative increase with increasing temperature. Rotational-relaxation collision numbers are seen as not fully descriptive of the rarefied freejet flows. This may be due to the high degree of nonequilibrium in the flowfields, and/or to the use of a temperature-insensitive rotational-relaxation collision number model in the data analyses.

Gochberg, Lawrence A.↗

NASA NTRS1993

Optical Spectroscopy of New Materials

Composites are currently used for a rapidly expanding number of applications including aircraft structures, rocket nozzles, thermal protection of spacecraft, high performance ablative surfaces, sports equipment including skis, tennis rackets and bicycles, lightweight automobile components, cutting tools, and optical-grade mirrors. Composites are formed from two or more insoluble materials to produce a material with superior properties to either component. Composites range from dispersion-hardened alloys to advanced fiber-reinforced composites. UV/VIS and FTIR spectroscopy currently is used to evaluate the bonding between the matrix and the fibers, monitor the curing process of a polymer, measure surface contamination, characterize the interphase material, monitor anion transport in polymer phases, characterize the void formation (voids must be minimized because, like cracks in a bulk material, they lead to failure), characterize the surface of the fiber component, and measure the overall optical properties for energy balances.

White, Susan M.↗

NASA NTRS1991

Technologies for aerobraking

Aerobraking is one of the largest contributors to making both lunar and Mars missions affordable. The use of aerobraking/aeroassist over all propulsive approaches saves as much as 60 percent of the initial mass required in low earth orbit (LEO); thus, the number and size of earth to orbit launch vehicles is reduced. Lunar transfer vehicles (LTV), which will be used to transport personnel and materials from LEO to lunar outpost, will aerobrake into earth's atmosphere at approximately 11 km/sec on return from the lunar surface. Current plans for both manned and robotic missions to Mars use aerocapture during arrival at Mars and at return to Earth. At Mars, the entry velocities will range from about 6 to 9.5 km/sec, and at Earth the return velocity will be about 12.5 to 14 km/sec. These entry velocities depend on trajectories, flight dates, and mission scenarios and bound the range of velocities required for the current studies. In order to successfully design aerobrakes to withstand the aerodynamic forces and heating associated with these entry velocities, as well as to make them efficient, several critical technologies must be developed. These are vehicle concepts and configurations, aerothermodynamics, thermal protection system materials, and guidance, navigation, and control systems. The status of each of these technologies are described, and what must be accomplished in each area to meet the requirements of the Space Exploration Initiative is outlined.

Cooper, David M.↗

NASA NTRS1990

Technologies for aerobraking

Aerobraking is one of the largest contributors to making both lunar and Mars missions affordable. The use of aerobraking/aeroassist over all-propulsive approaches saves as much as 60 percent of the initial mass required in LEO, thus reducing the number and size of earth-to-orbit launch vehicles. Lunar transfer vehicles, which will be used to transport personnel and materials from LEO to lunar outposts, will aerobrake into earth's atmosphere at aproximately 11 km/sec on return from the lunar surface. Current plans for both manned and robotic missions to Mars use aerocapture during arrival at Mars and at earth return. At Mars, the entry velocities will range from about 6 to 9.5 km/sec, and at earth the return velocity will be about 12.5 to 14 km/sec. In order to successfully design aerobrakes to withstand the aerodynamic forces and heating associated with these entry velocities, as well as to make them efficient, several critical technologies must be developed. These are vehicle concepts and configurations, aerothermodynamics, thermal protection system materials, and guidance, navigation, and control systems. This paper describes the status of each of these technologies and outlines what must be accomplished in each area to meet the requirements of the Space Exploration Initiative.

Cooper, David M.↗