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We have carried out extensive ab initio calculations of the electronic structure of methane, and these results are used to compute vibrational energy levels. We include basis set extrapolations, core-valence correlation, relativistic effects, and Born- Oppenheimer breakdown terms in our calculations. Our ab initio predictions of the lowest lying levels are superb.
The rotational spectra of 79 Br 2 O, 79 BrO 81 Br, and 81 Br 2 O in their ground vibrational states as well as 79 BrO 81 Br in its v 2 = 1 state have been studied in selected regions between 90 and 523 GHz.
Raman spectrum of solid alpha-nitrogen at low temperatures, calculating scattering intensities and Raman active librational lattice vibrations
Results of a study in which fluorescence of the gamma system of nitric oxide was obtained by excitation from both the 2144 A line of ionized cadmium and a continuum source. Individual rotational lines of the 2144 A excited fluorescence spectrum were found to be partially polarized and to have polarizations of differ ing sign. Measured relative vibrational band intensities from line and continuum excitation were compared to calculated Franck-Condon factors. Those Franck-Condon factors based on a single potential for the two spin states of the X super pi state agreed better with measured values than those based on separate potentials for the two spin states. Calculated intensities of the v prime = 3 progression were used to calibrate the instrument response in the wavelength region from 2000 to 2500 A and were checked with measured intensities of the v prime = 0.1, and 2 progressions. Fluorescence of the epsilon and delta bands obtained with continuum lamp excitation also were compared to calculated intensities.
Unsteady pressure fluctuations are a feature of the flow field of an airplane or a space vehicle in atmospheric flight. Undesirable effects of these fluctuations range from internal (cabin) noise to structural fatigue and damage of avionic and ordnance systems. The integrity to withstand these fluctuating loads is established through reverberant room acoustical qualification testing. The purpose of this paper is to develop a methodology of simulating turbulent boundary layer fluctuating pressure loading for a simply supported beam with a reverberant acoustic field. This goal was accomplished using normal mode vibration analysis. The main results were developed in terms of dimensionless quantities such as turbulent boundary layer spectrums, reverberant acoustical field simulation spectrums, and stress response spectrums with parameters: dimensionless fundamental frequency, Mach number, and relative boundary layer displacement thickness.
The measurement and analysis of MD-UHB (McDonnell Douglas Ultra High Bypass) Demonstrator noise and vibration flight test data are described as they relate to passenger cabin noise. The analyses were done to investigate the interior noise characteristics of advanced turboprop aircraft with aft-mounted engines, and to study the effectiveness of selected noise control treatments in reducing passenger cabin noise. The UHB Demonstrator is an MD-80 test aircraft with the left JT8D engine replaced with a prototype UHB engine. For these tests, the UHB engine was a General Electric Unducted Fan, with either 8x8 or 10x8 counter-rotating propeller configurations. Interior noise level characteristics were studied for several altitudes and speeds, with emphasis on high altitude (35,000 ft), high speed (0.75 Mach) cruise conditions. The effectiveness of several noise control treatments was evaluated based on cabin noise measurements. The important airborne and structureborne transmission paths were identified for both tonal and broadband sources using the results of a sound intensity survey, exterior and interior noise and vibration data, and partial coherence analysis techniques. Estimates of the turbulent boundary layer pressure wavenumber-frequency spectrum were made, based on measured fuselage noise levels.
Future large space systems (LSS), both civilian and military, will have performance objectives which require stringent pointing accuracies, relatively fast retargeting times, short settling times, accurate dynamic shape requirements, or combinations thereof. Many of these structures will be large but lightweight and will exhibit a dense, low-frequency modal spectrum with significant content within the control bandwidth. Although it is possible in principle to achieve structural vibration control with purely active means, experience with complex structures has shown that the realities of plant model inaccuracies and real sensor and actuator dynamics frequently combine to produce disappointing results. It was shown that a combination of passive and active control will result in a simpler system which can be expected to be more reliable and less expensive than a corresponding system utilizing active control exclusively. The goals of the Passive and Active Control of Space Structures (PACOSS) program consist of a thorough investigation of the relative roles of passive active vibration control, and the development of validated means of vibration control. The program approach, representative system article, dynamic test article, and test status and results are outlined.
A search for features of the ClO (1-0) vibration-rotation band has been conducted based on a 5000 signal-to-rms noise ratio IR spectrum derived by coadding 39 high-quality 0.0053/cm resolution solar spectra recorded with the McMath Fourier transform spectrometer on Kitt Peak. Evidence for absorption has been found at the locations of several of the stronger ClO P-branch lines with minimal interference. Detailed results are presented for the P(8.5) and P(7.5) 2Pi3/2-2Pi3/2 lines of Cl-35O at 833.2974 and 834.6249/cm, respectively. If ClO is present in the stratosphere at the concentrations indicated by other methods, our analysis indicates that modest improvements in signal-to-noise ratio and spectral resolution would permit a definitive detection of ClO in IR ground-based spectra.
Energetic electron bombardment of the H2 atmosphere in the Jovian auroral zone was studied using a theoretical model for the vibrational-ratational excitation processes. A non-relativistic electron energy deposition program originally developed by Peterson et al. was used. Assuming an incident energy electron spectrum from IUE observations, the calculated intensities of the two micron quadrupole lines from the Jovian auroral zone are shown to be comparable to the intensities of infrared objects in the Orion nebula. Jupiter is fairly dark in the 2 to 2.5 micron spectral range because of strong absorption of cH4 and NH3 vibrational-rotational bands. Consequently, assuming no significant decrease in Jovian auroral activity since the Voyager encounter with Jupiter in 1979, the two micron quadrupole emission of H2 may be observable by ground-based telescope through the two micron atmospheric window.
The pure rotational spectrum of glycolic acid, CH2OHCOOH, was studied in the region 115-318 GHz. For the most stable SSC conformer, transitions in all vibrational states up to 400 cm(exp -1) have been measured and their analysis is reported. The data sets for the ground state, v21 = 1, and v21 = 2 have been considerably extended. Immediately higher in vibrational energy are two triads of interacting vibrational states and their rotational transitions have been assigned and successfully fitted with coupled Hamiltonians accounting for Fermi and Coriolis resonances. The derived energy level spacings establish that the vibrational frequency of the v21 mode is close to 100 cm(exp -1). The existence of the less stable AAT conformer in the near 50 C sample used in our experiment was also confirmed and additional transitions have been measured.
A vibration instability phenomenon experienced in operating high pressure syn gas centrifugal compressors in two ammonia plants is described. The compressors were monitored by orbit and spectrum analysis for changes from baseline readings. It is found that internal hysteresis was the major destabilizing force; however, the problem was further complicated by seal lockup at the suction end of the compressor. A coupling lockup problem and a coupling fit problem, which frettage of the shaft, are also considered as contributors to the self excited vibrations.
Carbon dioxide is the major constituent of the atmospheres of both Mars and Venus. Correct interpretations of spectra of these atmospheres require accurate knowledge of a substantial number of absorption bands of this gas. This is especially true for Venus; many weak CO2 bands that are insignificant in the earth's atmosphere are prominent absorbers in Venus' hot, dense lower atmosphere. Yet, recent near-infrared spectra of Venus' nightside have discovered emission windows, which occur between CO2 absorption bands, at 4040-4550 cm(exp-1), 5700-5900 cm(exp-1), and several smaller ones between 7500 and 9400 cm(exp-1). This radiation is due to thermal emission from Venus' lower atmosphere, diminished by scattering and absorption within the sulfuric acid clouds on its way to space. Simulations of these data with radiative transfer models can provide improved information on the abundances of a number of constituents of the lower atmosphere (e.g. H2O, CO, HDO, HCl, HF, and OCS) and the optical properties of the clouds, whose spatial variation modulates the brightness of the emissions. However, the accuracy of these retrievals has been limited by insufficient knowledge of the opacity of some of the gas species, including CO2, at the large pathlengths and high temperatures and pressures that exist on Venus. In particular, modeling the emission spectrum did not produce a good fit for the emission window centered at 7830 cm(exp-1). In an ongoing effort to assist analyses of these Venus spectra, we have been making laboratory intensity measurements of several weak bands of CO2 which are significant absorbers in these Venus emission windows. The CO2 bands that are prominent in the 7830 cm(exp-1) region belong to the vibrational sequence 4v1+v3 and associated hot bands. Only 2 of the 5 bands of this sequence have been previously measured. Modeling Venus' emission spectrum in the 7830 cm(exp-1) region had to rely on calculated intensity values for the weak ground state band at 7921 cm-1 and the associated hot bands. Since the calculated intensities of ground state bands are known to have significant uncertainties, we decided to measure this (40 deg 1)I (left arrow) (00 deg 0) band with the Ames 25 meter multiple reflection absorption cell and Fourier transform spectrometer. We also measured the (40 deg 1) (sub IV) (left arrow) (00 deg 0) band at 7460 cm(exp-1), which also had not been previously measured. These measurements are reported in this article, and we also give our reanalysis of the prior measurements of the (40 deg 1) (sub III) (left arrow) (00 deg 0) bands. These measurements provide the basis for improving calculated intensities for related hot bands as well as simulations of Venus' spectrum.
The purpose of this investigation is to study methods and ways for rapid inversion programs involving the correlated k-method, and to modify the existing programs so that the rapid analysis of data can be accomplished. The earth's atmosphere as well as those around the planets consist of gases which emit radiation in the infrared spectral region, providing wealth of information about chemical and physical processes in the atmosphere. The atmospheric molecular constituents absorb and radiate by vibrational and rotational transitions, and the observed spectra exhibit characteristic spectral features in the region of the electromagnetic spectrum. The observed absorption or thermal emission spectra may be obtained with space-borne high resolution infrared spectrometers the 50-1000 micrometers spectral region. A detailed analysis of the observed spectra leads to information about the atmospheric thermal structure, composition, and the physical and chemical processes. The analytic techniques involve the development of radiative transfer models for the calculation of the observed radiance and transmittances for realistic atmospheric conditions and observational geometries, and the development of inversion methods for retrieval of atmospheric parameters from the observations.
An alternative optical thermometry technique that utilizes the low-resolution (order 10(exp 1)/cm) pure-rotational spontaneous Raman scattering of air is developed to aid single-shot multiscalar measurements in turbulent combustion studies. Temperature measurements are realized by correlating the measured envelope bandwidth of the pure-rotational manifold of the N2/O2 spectrum with a theoretical prediction of a species-weighted bandwidth. By coupling this thermometry technique with conventional vibrational Raman scattering for species determination, we demonstrate quantitative spatially resolved, single-shot measurements of the temperature and fuel/oxidizer concentrations in a high-pressure turbulent Cf4-air flame. Our technique provides not only an effective means of validating other temperature measurement methods, but also serves as a secondary thermometry technique in cases where the anti-Stokes vibrational N2 Raman signals are too low for a conventional vibrational temperature analysis.
Systematic application of response spectral analysis and other analyses determine damping sensitivity of flight environment and candidate laboratory tests. Computerized comparison is made between response spectrum for flight environment, or enveloping spectra for collection of flight events, and response spectrum for candidate laboratory test.
Transmission spectra in the 2-25 micrometer region were obtained for samples of lunar regolith returned by the Luna 16 automatic station. A comparison of the Luna 16, Apollo 11, and Apollo 12 samples showed that the infrared transmission spectra of regolith samples from the mare regions are similar and characteristic of basic basaltic rocks. The absorption bands show up in the vibration region of the SiO4 groups. No water and OH groups were found in the samples based on the spectrum. Spectra of regolith samples calcined at 1000C showed changes that can be interpreted as changes in the spectra of irradiated crystals (especially distinctly for the Luna 16 samples).
The rotational spectrum of v = 0 and v = 1X3Sigma(-)SH(+) was measured by laser magnetic resonance. Rotationally cold (Tr = 30 K), vibrationally excited (Tv = 3000 K) ions were generated in a corona excited supersonic expansion. The use of this source to identify ion signals is described. Improved molecular parameters were obtained; term values are presented from which astrophysically important transitions may be calculated. Accurate hyperfine parameters for both vibrational levels were determined and the vibrational dependence of the Fermi contact interaction was resolved. The hyperfine parameters agree well with recent many-body perturbation theory calculations.
The solutions of the Jeffcott equations describing the behavior of a rotating shaft are investigated analytically, with a focus on the case where deadband is taken into account. Bounds on the solutions are obtained from those for the linearized equations, and the onset of destructive vibrations is predicted by analyzing the Fourier transforms of the solutions; good agreement with numerical solutions and power-spectrum density plots is demonstrated. It is suggested that the present analytical approach could be applied to determine cryogenic-pump stability margins in flight and hot-fire ground testing of launch vehicles such as the Space Shuttle.