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NASA NTRS1994

Theoretical studies of a molecular beam generator

We consider the problem of modeling a high temperature diatomic gas N2 flowing through a converging-diverging high expansion nozzle. The problem is modeled in two ways. The first model uses a single temperature with variable specific heats as functions of this temperature. For the second model we assume that the various degrees of freedom all have a Boltzmann population distribution which means that each degree of freedom has its own temperature and consequently each system state can be characterized by these temperatures. This suggests the formulation of a second model with a vibrational degree of freedom as having its own temperature along with a rotational-translational degree of freedom with its own temperature. Initially the vibrational degree of freedom is excited by heating the gas to a high temperature. As the high temperature gas expands through the nozzle throat there is a sudden drop in the rotational-translational temperature along with a finite relaxation time for the vibrational degree of freedom to achieve equilibrium with the rotational-translational degree of freedom. That is, the temperature change that occurs when the N2 gas passes through the nozzle throat is so great that the changes in the vibrational degree of freedom lags behind the rotational-translational energy changes. The resulting relaxation time is finite. It is in this context that the term nonequilibrium is used. That is, the term nonequilibrium denotes the fact that the energy content of the various degrees of freedom are characterized by two temperatures. We neglect any chemical reactions resulting from the high temperatures which could also add nonequilibrium effects. We develop the basic equations for the two models in various forms in order to check the derivations with other sources. The final form which is solved numerically consists of the scaled equations in a conservative dimensionless form.

Heinbockel, John H.↗

NASA NTRS1986

Spectroscopic aspects of differential method for sounding gas composition of the atmosphere

The problems concerning the dynamics of populations of the sounded atmospheric gas molecule levels taking into account the nonmonochromatic character of radiation, durations of exciting and sounding pulses, rates of relaxation of excited vibration-rotation states population along different channels in a natural multicomponent mixture of gases and air were investigated. The problems of spectroscopic software, completeness and accuracy of the initial spectroscopic information, information on channels and rates of relaxation from the viewpoint of developing specific schemes of sounding are discussed. The values of deviations of vibration-rotation level populations of some atmospheric molecules from their equilibrium value at simultaneous action of double frequency radiation on the sounding path and the corresponding dynamic variation of lidar return amplitude were estimated. The importance of nonlinear spectrosopic effects in the lidar return value variation at sounding radiation frequency equaling the resonance frequency of vibration-rotation transition in the problem on sounding the humidity profiles and concentrations of gaseous pollutants was also estimated.

Zuev, V. V.↗

NASA NTRS1995

Nozzle flow with vibrational nonequilibrium

This research concerns the modeling and numerical solutions of the coupled system of compressible Navier-Stokes equations in cylindrical coordinates under conditions of equilibrium and nonequilibrium thermodynamics. The problem considered was the modeling of a high temperature diatomic gas N2 flowing through a converging-diverging high expansion nozzle. The problem was modeled in two ways. The first model uses a single temperature with variable specific heats as functions of this temperature. For the second model we assume that the various degrees of freedom all have a Boltzmann distribution and that there is a continuous redistribution of energy among the various degrees of freedom as the gas passes through the nozzle. Each degree of freedom is assumed to have its own temperature and, consequently, each system state can be characterized by these temperatures. This suggests that formulation of a second model with a vibrational degree of freedom along with a rotational-translation degree of freedom, each degree of freedom having its own temperature. Initially the vibrational degree of freedom is excited by heating the gas to a high temperature. As the high temperature gas passes through the nozzle throat there is a sudden drop in temperature along with a relaxation time for the vibrational degree of freedom to achieve equilibrium with the rotational-translation degree of freedom. That is, we assume that the temperature change upon passing through the throat is so great that the changes in the vibrational degree of freedom occur at a much slower pace and consequently lags behind the rotational-translational energy changes. This lag results in a finite relaxation time. In this context the term nonequilibrium is used to denote the fact that the energy content of the various degrees of freedom are characterized by two temperatures. We neglect any chemical reactions which could also add nonequilibrium effects. We develop the energy equations for the nonequilibrium model from first principles. The resulting equations, which model the nozzle flow, can be expressed in various forms. In most forms the resulting equations are coupled systems of nonlinear partial differential equations subject to certain boundary conditions. To solve the resulting coupled system of nonlinear partial differential equations, several numerical techniques were investigated: (1) the explicit MacCormack method, (2) the explicit-implicit MacCormack method, (3) the method of operator splitting, (4) factorization schemes, and (5) the Steger-Warming scheme.

Heinbockel, J. H.↗

NASA NTRS1989

Conservation equations and physical models for hypersonic air flows in thermal and chemical nonequilibrium

The conservation equations for simulating hypersonic flows in thermal and chemical nonequilibrium and details of the associated physical models are presented. These details include the curve fits used for defining thermodynamic properties of the 11 species air model, curve fits for collision cross sections, expressions for transport properties, the chemical kinetics models, and the vibrational and electronic energy relaxation models. The expressions are formulated in the context of either a two or three temperature model. Greater emphasis is placed on the two temperature model in which it is assumed that the translational and rotational energy models are in equilibrium at the translational temperature, T, and the vibrational, electronic, and electron translational energy modes are in equilibrium at the vibrational temperature, T sub v. The eigenvalues and eigenvectors associated with the Jacobian of the flux vector are also presented in order to accommodate the upwind based numerical solutions of the complete equation set.

Peter A. Gnoffo↗

NASA NTRS1989

The rate parameters for coupled rotation-vibration-dissociation phenomenon in H2

The effects of molecular rotation on coupled vibration-dissociation phenomena in H2 undergoing a nonequilibrium relaxation in a heating and cooling environment were studied theoretically. The rate coefficients for the collisional bound-bound and bound-free transitions, calculated by a quasi-classical trajectory method, were fed into the master equation, which was numerically solved to determine the rotational and vibrational population densities and bulk thermodynamic properties. Results indicate that the vibrational transition rates of H2 increase monotonically with the vibrational levels, faster than in the Landau-Teller (1936) model, and that the rotation of the molecules helps relax the low vibrational levels, serves as a temporary storage of vibrational energy during the relaxation, and thereby delays the dissociation process. The average energy loss due to the dissociation was determined to be about 80-90 percent of the total dissociation energy.

Sharma, Surendra P.↗

NASA NTRS1993

A dual-mode disturbance-accommodating controller for the Hubble Space Telescope

Cyclic thermal expansions and mechanical stiction effects in the Solar Arrays on the Hubble Space Telescope (HST) are triggering repeated occurrences of damped, relaxation-type flex-body vibrations of the solar arrays. Those solar array vibrations are, in turn, causing unwanted, oscillating disturbance torques on the HST main body, which cause unwanted deviations of the telescope from its specified pointing direction. In this paper we propose two strategies one can adopt in designing a telescope-pointing controller to cope with the aforementioned disturbances: (1) a `total isolation' (TI) control strategy whereby the HST controller torques are designed to adaptively counteract and cancel-out the persistent disturbing torques that are causing the unwanted telescope motions, and (2) an `array damping' (AD) control strategy whereby the HST controller torques are used to actively augment the natural dampening of the solar array vibrations and the attendant telescope motions, between triggerings of the stiction-related flex-body relaxation oscillations. Using the principles of Disturbance-Accommodating Control (DAC) Theory a dual-mode controller for a generic, planar-motion (single-axis) model of the HST is proposed. This controller incorporates both the TI and AD modes of disturbance-accommodation. Simulation studies of the closed-loop system using generic parameter values clearly indicate, qualitatively, the enhanced pointing-performance such a controller can achieve.

Addington, Stewart↗

NASA NTRS1965

Approach to equilibrium.

Time dependent behavior of isolated system consisting of many spins in solid lattice, assuming spin-spin interactions

SPIN-LATTICE RELAXATION↗

NASA NTRS1994

A Study of High Altitude Hypersonic Flow-Field Radiation

This paper presents the results of the works carried out jointly at Stanford University and Ames Research Center under a grant from the Ballistic Missile Defense Organization (BMDO) (formerly the Strategic Defense Initiative Organization) to explain and understand the results of the two flight experiments, Bow Shock Ultra-Violet 1 and Bow Shock Ultra-Violet 2, carried out by the Organization. A portion of the material contained in this paper has been reported elsewhere in open literature. However, this paper provides (1) the details of scientific contents not available in those literature, (2) the links among those and the logical order of the efforts involved, and (3) some materials not contained in any open literature. The first author is responsible for execution of the work; the second author directed the work of the first author. In the two flight experiments mentioned above, the spectra of radiation in the ultraviolet wavelength range incident on the stagnation point of a blunt body were measured at the flight speeds of 3.8 and 5.2 km/sec over a wide range of altitudes. The results were compared first with the calculations made using the original version of the NEQAIR/STRAP codes written earlier by the second author. At low altitudes, the calculations agreed with the measurement. However, at high altitudes, the calculations underestimated the intensity of the radiation by several orders of magnitudes. A shock tube experiment was carried out at CALSPAN and a plasma-torch experiment was carried out at Stanford University to produce experimental data to help explain the discrepancy. In addition, the shock tube experiment at Ames Research Center carried out independently of the BMDO was also found to be relevant to this question. In this paper, several theoretical models are developed and calculations using the models were carried out to explain the results not only of the flight experiments but also of the CALSPAN, Stanford, and Ames experiments. The are: (1) the diffusion model for the rotational mode to explain the slowness of rotational excitation, (2) assignment of different vibrational temperatures and different relaxation rates for different molecules, and (3) the modification of the NEQAIR code to accommodate the new experimental data. This paper shows that the discrepancy between the flight data and calculation is smaller with the present model, but is still substantial.

Moreau, Stephane↗

NASA NTRS2014

Absolute Radiation Measurements in Earth and Mars Entry Conditions

This paper reports on the measurement of radiative heating for shock heated flows which simulate conditions for Mars and Earth entries. Radiation measurements are made in NASA Ames' Electric Arc Shock Tube at velocities from 3-15 km/s in mixtures of N2/O2 and CO2/N2/Ar. The technique and limitations of the measurement are summarized in some detail. The absolute measurements will be discussed in regards to spectral features, radiative magnitude and spatiotemporal trends. Via analysis of spectra it is possible to extract properties such as electron density, and rotational, vibrational and electronic temperatures. Relaxation behind the shock is analyzed to determine how these properties relax to equilibrium and are used to validate and refine kinetic models. It is found that, for some conditions, some of these values diverge from non-equilibrium indicating a lack of similarity between the shock tube and free flight conditions. Possible reasons for this are discussed.

Radiative Heating↗

NASA NTRS1992

Rotational relaxation of molecular H2 at moderate temperatures

A coupled rotation-vibration-dissociation model is used to compute the rotational relaxation times for molecular hydrogen as a function of final temperatures (500-5000 K) in a hypothetical scenario of sudden compression. The theoretical model is based on a master equation solver. The bound-bound and bound-free transition rates have been computed using a quasi-classical trajectory method. A review of the available experimental data on the rotational relaxation of hydrogen is presented, with a critical overview of the method of measurements and data reduction, including the sources of errors. The experimental data are compared with the computed results.

Sharma, S. P.↗

NASA NTRS1995

Nozzle Flow with Vibrational Nonequilibrium

Flow of nitrogen gas through a converging-diverging nozzle is simulated. The flow is modeled using the Navier-Stokes equations that have been modified for vibrational nonequilibrium. The energy equation is replaced by two equations. One equation accounts for energy effects due to the translational and rotational degrees of freedom, and the other accounts for the affects due to the vibrational degree of freedom. The energy equations are coupled by a relaxation time which measures the time required for the vibrational energy component to equilibrate with the translational and rotational energy components. An improved relaxation time is used in this thesis. The equations are solved numerically using the Steger-Warming flux vector splitting method and the Implicit MacCormack method. The results show that uniform flow is produced outside of the boundary layer. Nonequilibrium exists in both the converging and diverging nozzle sections. The boundary layer region is characterized by a marked increase in translational-rotational temperature. The vibrational temperature remains frozen downstream of the nozzle, except in the boundary layer.

Landry, John Gary↗

NASA NTRS1965

Coupling of vibration and dissociation in gasdynamic flows.

Diatomic molecular dissociation and vibrational excitation for normal shocks and expanding flow system, noting relaxation

MOLECULAR DISSOCIATION↗

DOE OSTI2026

Experimental Quantification of Spin–Phonon Coupling in Molecular Qubits Using Inelastic Neutron Scattering

Electronic spin superposition states enable nanoscale sensing through their sensitivity to the local environment, yet their sensitivity to vibrational motion also limits their coherence times. In molecular spin systems, chemical tunability and atomicscale resolution are accompanied by a dense, thermally accessible phonon spectrum that introduces efficient spin relaxation pathways. Despite extensive theoretical work, there is little experimental consensus on which vibrational energies dominate spin relaxation or how molecular structure controls spin−phonon coupling (SPC). We present a fully experimental method to quantify SPC coefficients by combining temperature-dependent vibrational spectra from inelastic neutron scattering with spin relaxation rates measured by electron paramagnetic resonance. We apply this framework to two model S = 1/2 systems, copper(II) phthalocyanine (CuPc) and copper(II) octaethylporphyrin (CuOEP). Two distinct relaxation regimes emerge: below 40 K, weakly coupled lattice modes below 50 cm −1 dominate, whereas above 40 K, optical phonons above ∼185 cm −1 become thermally populated and drive relaxation with SPC coefficients nearly 3 orders of magnitude larger. Structural distortions in CuOEP that break planar symmetry soften the crystal lattice and enhance anharmonic scattering but also raise the energy of stretching modes at the molecular core where the spins reside. This redistributes vibrational energy toward the molecular periphery and out of plane, ultimately reducing SPC relative to CuPc and enabling room-temperature spin coherence in CuOEP. Although our method does not provide mode-specific SPC coefficients, it quantifies contributions from distinct spectral regions and establishes a broadly applicable, fully experimental link between crystal structure, lattice dynamics, and spin relaxation.

Lohaus, Stefan H. [California Institute of Technol↗

NASA NTRS1974

High-tip-speed fiber composite compressor blades: Vibration and strength analysis

An analytical procedure is described which couples composite mechanics computer codes with NASTRAN. This procedure was used to perform a detailed analysis of a high-tip-speed fiber composite compressor fan blade. The results indicate that the various vibration modes of this blade are highly coupled. Mechanical load ply stresses are well below the corresponding room temperature strengths. Lamination residual stresses are likely to cause transply cracks and interply delamination. Transply cracks and relaxation of root fixity decrease the vibrational frequencies whereas centrifugal stiffening increases them. Comparisons of results for various parameters are presented in tabular and graphical form.

Chamis, C. C.↗

NASA NTRS1974

High-tip-speed fiber composite compressor blades - Vibration and strength analyses

Chamis, C. C.↗

NASA NTRS1994

Investigating the 3.3 micron infrared fluorescence from naphthalene following ultraviolet excitation

Polycyclic aromatic hydrocarbon (PAH) type molecules are proposed as the carriers of the unidentified infrared (UIR) bands. Detailed studies of the 3.3 micrometer infrared emission features from naphthalene, the simplest PAH, following ultraviolet laser excitation are used in the interpretation of the 3.29 micrometer (3040 cm(sup -1)) UIR band. A time-resolved Fourier transform spectrometer is used to record the infrared emission spectrum of gas-phase naphthalene subsequent to ultraviolet excitation facilitated by an excimer laser operated at either 193 nm or 248 nm. The emission spectra differ significantly from the absorption spectrum in the same spectral region. Following 193 nm excitation the maximum in the emission profile is red-shifted 45 cm(sup -1) relative to the absorption maximum; a 25 cm(sup -1) red-shift is observed after 248 nm excitation. The red-shifting of the emission spectrum is reduced as collisional and radiative relaxation removes energy from the highly vibrationally excited molecules. Coupling between the various vibrational modes is thought to account for the differences between absorption and emission spectra. Strong visible emission is also observed following ultraviolet excitation. Visible emission may play an important role in the rate of radiative relaxation, which according to the interstellar PAH hypothesis occurs only by the slow emission of infrared photons. Studying the visible emission properties of PAH type molecules may be useful in the interpretation of the DIB's observed in absorption.

Williams, Richard M.↗

NASA NTRS1985

Adaptive Inverse Control for Rotorcraft Vibration Reduction

This thesis extends the Least Mean Square (LMS) algorithm to solve the mult!ple-input, multiple-output problem of alleviating N/Rev (revolutions per minute by number of blades) helicopter fuselage vibration by means of adaptive inverse control. A frequency domain locally linear model is used to represent the transfer matrix relating the higher harmonic pitch control inputs to the harmonic vibration outputs to be controlled. By using the inverse matrix as the controller gain matrix, an adaptive inverse regulator is formed to alleviate the N/Rev vibration. The stability and rate of convergence properties of the extended LMS algorithm are discussed. It is shown that the stability ranges for the elements of the stability gain matrix are directly related to the eigenvalues of the vibration signal information matrix for the learning phase, but not for the control phase. The overall conclusion is that the LMS adaptive inverse control method can form a robust vibration control system, but will require some tuning of the input sensor gains, the stability gain matrix, and the amount of control relaxation to be used. The learning curve of the controller during the learning phase is shown to be quantitatively close to that predicted by averaging the learning curves of the normal modes. For higher order transfer matrices, a rough estimate of the inverse is needed to start the algorithm efficiently. The simulation results indicate that the factor which most influences LMS adaptive inverse control is the product of the control relaxation and the the stability gain matrix. A small stability gain matrix makes the controller less sensitive to relaxation selection, and permits faster and more stable vibration reduction, than by choosing the stability gain matrix large and the control relaxation term small. It is shown that the best selections of the stability gain matrix elements and the amount of control relaxation is basically a compromise between slow, stable convergence and fast convergence with increased possibility of unstable identification. In the simulation studies, the LMS adaptive inverse control algorithm is shown to be capable of adapting the inverse (controller) matrix to track changes in the flight conditions. The algorithm converges quickly for moderate disturbances, while taking longer for larger disturbances. Perfect knowledge of the inverse matrix is not required for good control of the N/Rev vibration. However it is shown that measurement noise will prevent the LMS adaptive inverse control technique from controlling the vibration, unless the signal averaging method presented is incorporated into the algorithm.

Jacklin, Stephen A.↗

NASA NTRS1988

Vibrational-vibrational coupling in air at low humidities

Calculations of sound absorption in air are traditionally based on the assumption that molecular relaxations in N2 and O2 are independent. In binary mixtures of these two gases, however, they are not independent; rather, molecular relaxation is known to be controlled by a very strong vibrational-vibrational (V-V) coupling, which influences both the relaxation frequencies and the relaxation strengths. This article shows that small concentrations of the air constituents CO2 and H2O, which themselves possess a strong V-V coupling to N2 and O2, serve to decouple the N2 and O2 relaxations. To characterize the N2-O2 coupling a coupling strength is derived which depends upon the constituent concentrations and the related reaction rate constants. It is found that the molecular relaxations associated with N2 and O2 in air experience a gradual transition from strong to weak coupling as the humidity increases beyond approximately 0.001 mole percent.

Zuckerwar, Allan J.↗