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NASA NTRS1984

Molecular velocimetry using stimulated Raman spectroscopy

Molecular flow velocity of N2 was measured in a supersonic wind tunnel using inverse Raman spectroscopy. This technique employs the large Doppler shift exhibited by the molecules when the pump and probe laser beams are counter-propagating (backward scattering). A retrometer system is employed to yield a vibration-free optical configuration which has the additional advantage of obtaining both the forward and backward scattered spectra simultaneously. The linebreadths and their relative Doppler shift can be used to determine the static pressure, translational temperature, and molecular flow velocity. A demonstration of the concept was performed in a supersonic wind tunnel and included: (1) measurements over the Mach number range 2.50 to 4.63; (2) static pressure measurements (at Mach 2.50) corresponding to a Reynolds number per foot range of 1 to 5 x 10 to the 6th power; and (3) measurements behind the shock wave of a flat plate model.

Exton, R. J.↗

NASA NTRS1980

Nighttime temperatures and ion chemistry from OGO 6 plasma measurements

Results are presented of a statical investigation of temperature and molecular ion chemistry in the nighttime thermosphere, with data from plasma measurements between 400 and 450 km from the retarding potential analyzer on the OGO 6 satellite. Temperatures and ion concentrations from the equatorial region are discussed. Emphasis is placed on statistical analyses of all data acquired within small cells of finite width in latitude and day of observation. Attention is given to a significant fraction of the nighttime hemisphere between low summer and middle winter latitudes.

Sanatani, S.↗

NASA NTRS1981

Effective path length corrections in beam-beam scattering experiments

The effect of the change of scattering geometry with scattering angle in beam-beam experiments is investigated. Atomic (molecular) target distributions associated with static gas, orifice, tube, capillary array (with and without further collimation), and jet sources have been considered in model calculations for a number of commonly used electron scattering geometries. The relationship between scattering intensity, cross section, and the geometrical integral called 'effective path length' is derived. Volume correction factors (the reciprocal of effective path length) have been calculated for sample cases to illustrate the effect of various beam and scattering geometry characteristics. The validity of the model calculation has been experimentally verified. Most of the commonly used scattering geometries require significant correction of the scattering intensity distributions, but with proper planning scattering geometries can be designed such that the intensity and the cross section angular distribution are identical within 1%.

Brinkmann, R. T.↗

NASA NTRS1991

Static second-order polarizabilities of aminobenzophenones and nitrobenzophenones

Static-field theoretical studies on molecular second-order polarizabilities (beta) of benzophenone derivatives were performed. Calculations were based on the use of shaped electric fields and semiempirical Hamiltonians. Either an electron-donating (amine) or an electron-withdrawing (nitro) substituent was incorporated into a phenyl ring of benzophenone; the phenyl rings of benzophenone were oriented either coplanar or perpendicular to the carbonyl. The change in charge transfer with respect to the electrophilic character of the carbonyl group was monitored to determine its effect on the molecular second-order polarizability. Calculations were performed for all constitutional isomers of the two benzophenone derivatives.

Moore, Craig E.↗

NASA NTRS1981

Structure and screening in molecular and metallic hydrogen at high pressure

A variational wavefunction is used to express the (spin restricted) Hartree-Fock energy as reciprocal lattice sums for static lattice FCC monatomic hydrogen and diatomic Pa3 molecular hydrogen. In the monatomic phase the hydrogenic orbital range closely parallels the inverse Thomas-Fermi wavevector; the corresponding energy E has a minimum of -0.929 Ryd/electron at r sub s = 1.67. For the diatomic phase E(r sub s) is similar, but the constituent energies, screening, and bond length reflect a qualitative change in the nature of the solid at r sub s = 2.8. This change is interpreted in terms of a transition from protons as structural units (at high density) to weakly interacting models (at low density). Insensitivity of the total energy to a rapid fall in the bond length suggests association with the rotational transition where the rapid molecular orientations characteristic of high pressures disappear and the molecules rotate freely at low pressure.

Wood, D. M.↗

NASA NTRS2003

Photonic Interrogation and Control of Nano Processes

My research activities for the summer of 2003 consisted of two projects: One project was concerned with determining a method for predicting the static and dynamic assembly properties of nano-structures using laser tweezers. The other project was to investigate the generation of Laguerre-Gaussian modes using a spatial light modulator incorporated into an optical tweezers system. Concerning the first project, I initially pursued the approach suggested by my NASA colleague Dr. Art Decker. This approach involved mimicking the model of the structure of atomic nucleus for the assembly of 1 to 100 atoms using allowed quadruple transitions induced by orbital angular momentums of a Laguerre- Gaussian (Doughnut) laser mode. After realizing the inaptness of the nuclear model with the nanostructure model as far as the binding forces and transitions were concerned, I focused on using quantum dot modei. This model was not attuned also for the host lattice influences the electronic structure of the quantum dot. Thus one other option that I decided to pursue was the approach of molecular quantum mechanics. In this approach the nanostructure is treated as a large (10-100 nm) molecule constructed from single element or multi-elements. Subsequent to consultation with Dr. Fred Morales, a chemical engineer at NASA GRC, and Dr. David Ball, a computational chemist at Cleveland State University, I acquired a molecular-quantum computation software, Hyperchem 7.0. This software allows simulation of different molecular structures as far as their static and dynamic behaviors are concerned. The time that I spent on this project was about eight weeks. Once this suitable approach was identified, I realized the need to collaborate with a computational quantum chemist to pursue searching for stable nanostructures in the range of 10-100 nm that we can be assembled using laser tweezers. The second project was about generating laser tweezers that possess orbital angular momentum. As shown, we were able to generate laser tweezers modes of different orbital angular momentum using a spatial light modulator incorporated into a laser tweezers system. The motivation for investigating these types of modes stems from being able to spin particles at high speeds and also to orient two particles in separate traps and then join them together. Also, there has been recent intense interest on fundamental physics research on orbital angular momentum of light. The fact that circularly polarized light may have associated with it angular momentum that relates to the spin of individual photons (spin 0 for the plane polarized light, spin +1 for the right-circularly polarized light and spin -1 for the left-circularly polarized light) was first demonstrated by Beth in 1936. Orbital angular momentum is, however, distinct from spin in that the spin angular momentum of light is intrinsically linked to the behavior of the electric field in the light whereas orbital angular momentum is a consequence of inclined wavefronts. In 1992 L. Allen, et al showed that the Laguerre-Gaussian (LG) modes could possess well-defined orbital angular momentum that can exceed 1 planck's constant, i.e. l plancks constant per photon, where l is the azimuthal index of the mode.

Jassemnejad, Baha↗

NASA NTRS1991

Laser studies of the photodissociation dynamics of cometary radicals

In the past year, it was shown that in the 193 nm photolysis of C2H, the C2 radical is produced in a variety of electronic, vibrational, and rotational states. The relative population of the vibrational and rotational states of C2(A 1 Pi u), C2(B 1 Sigma g +), and C2(A 3 Pi u) were determined in a static gas cell and in a pulsed molecular beam. It seems as though the original angular momentum of the C2H molecule appears as part of the angular momentum of the C2 radical. A attempt is being made to discover the mathematical relationship that governs this mapping. New information about the bond dissociation energy of the C2 radical was produces. C2(b 3 Sigma g -) and C2( 1 Delta g) were detected in the photolysis of C2H via time resolved infrared emission spectroscopy. In the former case, vibrational excitation up to v'' = 4 is observed. All of the results suggest that the C2 models in comets need to consider the presence of vibrationally excited C2 radicals in comets. The laser induced fluorescence spectra of the C3 was observed as a product of the 193 nm photolysis of allene and propyne. The populations of the rotational levels are identical in both cases. This result has led us to conclude that an isomerization reaction occurs in the photolysis of propyne which leads to the same C3H2 intermediate that is formed in the photolysis of C3H4. Since the former molecule is one of the most abundant in the interstellar medium it is also likely that its precursor is also present in comets. This would explain why C3 is observed in comets.

Jackson, William M.↗

NASA NTRS1975

Phenomenological treatments of cross-sections for proton and hydrogen impact below 1 keV on molecular nitrogen

An analytic independent-particle model is used to construct static potentials to describe the interaction of hydrogen-like ions with atoms and molecules. Parameters of the ion-atom potential are determined from ab initio total energy minimization procedure. The elastic scattering of He(+) from Ne and Ar is investigated as a test case and comparison is made with experiment. The model is then used in conjunction with low energy H(+)-N2 experimental data to construct differential and total cross-sections for the scattering of protons and hydrogen in the energy range of 10 eV to 1 keV from molecular nitrogen. Analytic forms are used to parametrize these cross-sections to facilitate their use in the calculation of energy deposition by protons and hydrogen atoms in atmospheric gases.

Porter, H. S.↗

NASA NTRS1975

Rarefied gas dynamic effects on mass spectrometric studies of upper planetary atmospheres

Results are presented of measurements obtained with an open-source mass spectrometer both in earth orbit and in a laboratory molecular beam facility. The mass spectrometer/ion source combination was developed in the laboratory to be operable in either of two modes by altering ion extraction potential on ground command, i.e., as a stagnation cavity or to respond only to the incoming molecules of the unperturbed atmosphere. Results indicate that the use of this open-source configuration and dual-mode capability, allied with both standard static calibration and dynamic calibration using high-speed molecular beam techniques in the laboratory, allows collection of useful data on aeronomy of the upper atmosphere of planets and comet tails.

French, J. B.↗

NASA NTRS1981

A molecular model for ice nucleation and growth, attachment 1

The quantum mechanical technique is used to study ionic, configurational, and impurity defects in the ice surface. In addition to static calculations of the energetics of the water monomer-ice surface interactions, molecular dynamics studies were initiated. The calculations of the monomer-ice surface interaction, molecular dynamics studies were initiated. The calculations of monomer-ice surface interactions indicate that many adsorption sites exist on the ice surfaces and that the barriers between bonding sites are relatively low. Bonding on the prism face of ice is preferentially above lattice sites.

Plummer, P. L. M.↗

NASA NTRS1997

Aerodynamics of Stardust Sample Return Capsule

Successful return of interstellar dust and cometary material by the Stardust Sample Return Capsule requires an accurate description of the Earth entry vehicle's aerodynamics. This description must span the hypersonic-rarefied, hypersonic-continuum, supersonic, transonic, and subsonic flow regimes. Data from numerous sources are compiled to accomplish this objective. These include Direct Simulation Monte Carlo analyses, thermochemical nonequilibrium computational fluid dynamics, transonic computational fluid dynamics, existing wind tunnel data, and new wind tunnel data. Four observations are highlighted: 1) a static instability is revealed in the free-molecular and early transitional-flow regime due to aft location of the vehicle s center-of-gravity, 2) the aerodynamics across the hypersonic regime are compared with the Newtonian flow approximation and a correlation between the accuracy of the Newtonian flow assumption and the sonic line position is noted, 3) the primary effect of shape change due to ablation is shown to be a reduction in drag, and 4) a subsonic dynamic instability is revealed which will necessitate either a change in the vehicle s center-of-gravity location or the use of a stabilizing drogue parachute.

Mitcheltree, R. A.↗

NASA NTRS1983

Calculation of the polarization potential for e-N2 collisions

A polarization potential V(pol) for e-N2 collisions is calculated by the generalization of the static part of the method of polarized orbitals to molecular targets. Partial differential equations (PDE) are derived for polarized orbitals, which are functions of the distance (r) from the molecular center and angle (theta) from the molecular axis. The equations are solved with the use of the noniterative PDE technique. From the polarized orbitals a polarization potential can be constructed whose r and theta dependence is found to be significantly different from the well-known phenomenological one. The two potentials are further compared by carrying out limited hybrid-theory scattering calculations. Only those scattering results based on the calculated V(pol) are in satisfactory accord with experiment.

Onda, K.↗

NASA NTRS1997

Low-Density Aerodynamics of the Stardust Sample Return Capsule

The aerodynamics of the Stardust Sample Return Capsule are analyzed in the low- density, transitional flow regime using free-molecular, Direct Simulation Monte Carlo, Navier-Stokes, and Newtonian methods to provide inputs for constructing a transitional flow bridging relation. The accuracy of this bridging relation in reconstructing the aero- dynamic coefficients given by the more exact methods is presented for a range of flight conditions and vehicle attitudes. There is good agreement between the various prediction methods, and a simple sine-squared bridging relation is shown to provide a reasonably good description of the axial force, normal force, and pitching moment over a range of Knudsen numbers from 0.001 to 10. The predictions show a static instability of the Star- dust capsule in the free-molecular regime that persists well into the transitional flow. The addition of a thin disk to the base of the capsule is shown to remove this static instability. However, the extremely high entry velocity of 12.6 km/s for the proposed trajectory introduces difficult design issues for incorporating this disk caused by the high aerothermal loads that occur even under relatively rarefied conditions.

Wilmoth, Richard G.↗

NASA NTRS2008

Aerodynamics for the Mars Phoenix Entry Capsule

Pre-flight aerodynamics data for the Mars Phoenix entry capsule are presented. The aerodynamic coefficients were generated as a function of total angle-of-attack and either Knudsen number, velocity, or Mach number, depending on the flight regime. The database was constructed using continuum flowfield computations and data from the Mars Exploration Rover and Viking programs. Hypersonic and supersonic static coefficients were derived from Navier-Stokes solutions on a pre-flight design trajectory. High-altitude data (free-molecular and transitional regimes) and dynamic pitch damping characteristics were taken from Mars Exploration Rover analysis and testing. Transonic static coefficients from Viking wind tunnel tests were used for capsule aerodynamics under the parachute. Static instabilities were predicted at two points along the reference trajectory and were verified by reconstructed flight data. During the hypersonic instability, the capsule was predicted to trim at angles as high as 2.5 deg with an on-axis center-of-gravity. Trim angles were predicted for off-nominal pitching moment (4.2 deg peak) and a 5 mm off-axis center-ofgravity (4.8 deg peak). Finally, hypersonic static coefficient sensitivities to atmospheric density were predicted to be within uncertainty bounds.

Edquist, Karl T.↗

NASA NTRS2005

Time-Averaged Velocity, Temperature and Density Surveys of Supersonic Free Jets

A spectrally resolved molecular Rayleigh scattering technique was used to simultaneously measure axial component of velocity U, static temperature T, and density p in unheated free jets at Mach numbers M = 0.6,0.95, 1.4 and 1.8. The latter two conditions were achieved using contoured convergent-divergent nozzles. A narrow line-width continuous wave laser was passed through the jet plumes and molecular scattered light from a small region on the beam was collected and analyzed using a Fabry-Perot interferometer. The optical spectrum analysis air density at the probe volume was determined by monitoring the intensity variation of the scattered light using photo-multiplier tubes. The Fabry-Perot interferometer was operated in the imaging mode, whereby the fringe formed at the image plane was captured by a cooled CCD camera. Special attention was given to remove dust particles from the plume and to provide adequate vibration isolation to the optical components. The velocity profiles from various operating conditions were compared with that measured by a Pitot tube. An excellent comparison within 5m's demonstrated the maturity of the technique. Temperature was measured least accurately, within 10K, while density was measured within 1% uncertainty. The survey data consisted of centerline variations and radial profiles of time-averaged U, T and p. The static temperature and density values were used to determine static pressure variations inside the jet. The data provided a comparative study of jet growth rates with increasing Mach number. The current work is part of a data-base development project for Computational Fluid Dynamics and Aeroacoustics codes that endeavor to predict noise characteristics of high speed jets. A limited amount of far field noise spectra from the same jets are also presented. Finally, a direct experimental validation was obtained for the Crocco-Busemann equation which is commonly used to predict temperature and density profiles from known velocity profiles. Data presented in this paper are available in ASCII format upon request.

Panda, Jayanta↗

NASA NTRS1994

Hydrogen and related materials at high density: Physics, chemistry and planetary implications

Recent studies of low-Z molecular materials including hydrogen to multimegabar pressures (less than 300 GPa) have uncovered a range of phenomena relevant to understanding the nature of the interiors of the outer planets and their satellites. Synchrotron x ray diffraction measurements (to 42 GPa) have been used to determine the crystal structure of the solid (hexagonal-close packed) and equation of state. Sound velocities in fluid and solid hydrogen (to 24 GPa) have been inverted to obtain elastic constants and aggregate bulk and shear moduli. In addition, an improved intermolecular potential has been determined which fits both static and shock-wave data. Use of the new potential for the molecular envelope of Jupiter suggests the need for major revisions of existing Jovian models or a reanalysis of reported free oscillations for the planet. Studies at higher pressures (greater than 100 GPa) reveal a sequence of pressure-induced symmetry-breaking transitions in molecular hydrogen, giving rise to three high-pressure phases (1, 2, and 3). Phase 1 is the rotationally disordered hcp phase which persists from low pressure to well above 100 GPa at high temperature (e.g., 300 K). Phase 2 is a low-temperature, high-pressure phase (transition at 100 GPa and 77 K in H2) with spectral features indicative of partial rotational ordering and crystallographic distortion. The transition to Phase 3 at 150 GPa is accompanied by a weakening of the molecular bond, gradual changes in orientational ordering, strong enhancement of the infrared intramolecular vibrational absorption, and strong intermolecular interactions similar to those of ambient-pressure network solids. Studies of the phase diagram reveal a triple point near 130 K and 160 GPa. Higher pressure measurements of vibrational spectra place a lower bound of approximately 250 GPa on the predicted transition pressure for dissociation of molecular hydrogen to form a monatomic metal.

Hemley, R. J.↗

NASA NTRS2006

Decrease in T Cell Activation and Calcium Flux during Clinorotation

We investigated the effect of altered gravitational environments on T cell activation. We isolated human, naive T cells (CD3+CD14-CD19-CD16-CD56-CD25-CD69-CD45RA-) following IRB approved protocols. These purified T cells were then incubated with 6 mm polystyrene beads coated with OKT3 (Ortho Biotech, Raritan, NJ) and antiCD28 (Becton Dickinson (BD), San Jose, CA) at 37 C for 24 hours. Antibodies were at a 1:1 ratio and the bead-to-cell ratio was 2:1. Four incubation conditions existed: 1) static or "1g"; 2) centrifugation at 10 relative centrifugal force (RCF) or "10g"; 3) clinorotation at 25 RPM (functional weightlessness or "0g"); and 4) clinorotation at 80 RPM ("1g" plus net shear force approx.30 dynes/sq cm). Following incubation, T cells were stained for CD25 expression (BD) and intracellular calcium (ratio of Fluo4 to Fura Red, Molecular Probes, Eugene, OR) and analyzed by flow cytometry (Coulter EPICS XL, Miami, FL). Results: Static or "1g" T cells had the highest level of CD25 expression and intracellular calcium. T cells centrifuged at 10 RCF ("10g") had lower CD25 expression and calcium levels compared to the static control. However, cells centrifuged at 10 RCF had higher CD25 expression and calcium levels than those exposed to 24 RPM clinorotation ("0g"). T cells exposed to 24 RPM clinorotation had lower CD25 expression, but the approximately the same calcium levels than T cells exposed to 80 RPM clinorotation. These data suggest that stress-activated calcium channel exist in T cells and may play a role during T cell activation.

Sams, Clarence↗

NASA NTRS1995

The Schwinger Variational Method

Variational methods have proven invaluable in theoretical physics and chemistry, both for bound state problems and for the study of collision phenomena. The application of the Schwinger variational (SV) method to e-molecule collisions and molecular photoionization has been reviewed previously. The present chapter discusses the implementation of the SV method as applied to e-molecule collisions. Since this is not a review of cross section data, cross sections are presented only to server as illustrative examples. In the SV method, the correct boundary condition is automatically incorporated through the use of Green's function. Thus SV calculations can employ basis functions with arbitrary boundary conditions. The iterative Schwinger method has been used extensively to study molecular photoionization. For e-molecule collisions, it is used at the static exchange level to study elastic scattering and coupled with the distorted wave approximation to study electronically inelastic scattering.

Huo, Winifred M.↗