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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Vibration characteristics of hexagonal radial rib and hoop platforms

Experiment and analysis have been used to characterize the modes of vibration of planar radial rib and hoop hexagonal platforms. Finite element analysis correlated very well with experimental results. The sensitivity of mode shapes and frequencies to cable stiffness and initial tension is presented. Threshold values have been identified, above which changes in cable stiffness do not affect the first few platform vibration modes. Primary vibration modes of the radial rib platform involve beam bending. Vibration modes of the hoop platform exhibit both beam bending and frame bending and torsion. Results indicate for low order polygonal structures, the radial rib concept produced a higher fundamental frequency. For high order polygonal structures, the hoop concept has the potential to achieve a higher fundamental frequency than the radial rib concept.

Belvin, W. K.↗
NASA NTRS1980

Infrared molecular absorption features

Spectra of infrared sources associated with molecular clouds have shown absorption features at wavelengths of 6.0 and 6.8 microns. It is suggested that the 6.0 micron feature can be identified with the stretching vibration of C = 0 and the 6.8 micron feature with the bending vibrations of CH2 and CH3. The amount of carbon in the form of hydrocarbon molecules may be comparable to the amount in CO. This abundance of hydrocarbons is probably too large to be consistent with radio observations if the molecules are gaseous, but large abundances of hydrocarbons on the surfaces of grains may explain the infrared features, and yet be unobservable in the radio.

Willner, S. P.↗
NASA NTRS1995

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Cations

Gaseous, ionized polycyclic aromatic hydrocarbons (PAHs) are thought to be responsible for a very common family of interstellar infrared emission bands. Here the near- and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene: phenanthrene, pyrene, benzo(e)pyrene, benzo-(ghi)perylene, and coronene, are presented to test this hypothesis. For those molecules that have been studied previously (pyrene, pyrene-d(sub 10), and coronene), band positions and relative intensities are in agreement. In all of these cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeuteriophenanthrene, pyrene, benzo(ghi]perylene, and coronene cations. With the exception of coronene, the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations, the CC stretching and CH in-plane bending modes give rise to bands that are an order of magnitude stronger than those of the neutral species, and the CH out-of-plane bends produce bands that are 5-20 times weaker than those of the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

Hudgins, D. M.↗
NASA NTRS1995

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Cations: The Members of the Thermodynamically Most Favorable Series through Coronene - Part 2

Gaseous, ionized polycyclic aromatic hydrocarbons (PAHS) are thought to be responsible for a very common family of interstellar infrared emission bands. Here the near- and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene: phenanthrene, pyrene, benzo[e]pyrene, benzo-[ghi]perylene, and coronene, are presented to test this hypothesis. For those molecules that have been studied previously (pyrene, pyrene-d(sub 10), and coronene), band positions and relative intensities are in agreement. In all of these cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeuteriophenanthrene, pyrene, benzo[ghi]perylene, and coronene cations. With the exception of coronene, the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations, the CC stretching and CH in-plane bending modes give rise to bands that are an order of magnitude stronger than those of the neutral species, and the CH out-of-plane bends produce bands that are 5-20 times weaker than those of the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

Hudgins, D. M.↗
NASA NTRS1994

Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbon Cations: The Members - 3

In spite of the fact that the infrared spectroscopic properties of only a few isolated ionized polycyclic aromatic hydrocarbons (PAHs) are known, gaseous, ionized PAHs are thought to be responsible for a very common family of infrared interstellar emission bands. In order to provide a data base to test this hypothesis and, if borne out, to use this emission band family as a probe of many different interstellar environments, we are carrying out a thorough study of the infrared spectroscopic properties of neutral and ionized PAHs in argon matrices. Here we present the near and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene: phenanthrene, pyrene, benzo[e]pyrene, benzo[ghilperylene, and coronene. The properties of naphthalene, the first member of the series, are given elsewhere. The spectra of perdeuterated phenanthrene and pyrene are also reported. For those molecules which have been previously studied (pyrene, d(10)-pyrene, and coronene), band positions and relative intensities are in agreement. In all cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeutero-phenanthrene, pyrene, benzo[ghi]perylene, and coronene cations. With the exception of coronene,the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations the CC stretching and CH in-plane bending modes give rise to bands which are an order of magnitude stronger than for the neutral species, and the CH out-of-plane bends produce bands which are 5-20 times weaker than in the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

Hudgins, D. M.↗
NASA NTRS1995

Infrared spectroscopy of matrix-isolated polycyclic aromatic hydrocarbon cations. 2. The members of the thermodynamically most favorable series through coronene

Gaseous, ionized polycyclic aromatic hydrocarbons (PAHs) are thought to be responsible for a very common family of interstellar infrared emission bands. Here the near- and mid-infrared spectra of the cations of the five most thermodynamically favored PAHs up to coronene:phenanthrene, pyrene, benzo[e]pyrene, benzo[ghi]perylene, and coronene, are presented to test this hypothesis. For those molecules that have been studied previously (pyrene, pyrene-d10, and coronene), band positions and relative intensities are in agreement. In all of these cases we report additional features. Absolute integrated absorbance values are given for the phenanthrene, perdeuteriophenanthrene, pyrene, benzo[ghi]perylene, and coronene cations. With the exception of coronene, the cation bands corresponding to the CC modes are typically 2-5 times more intense than those of the CH out-of-plane bending vibrations. For the cations, the CC stretching and CH in-plane bending modes give rise to bands that are an order of magnitude stronger than those of the neutral species, and the CH out-of-plane bends produce bands that are 5-20 times weaker than those of the neutral species. This behavior is similar to that found in most other PAH cations studied to date. The astronomical implications of these PAH cation spectra are also discussed.

NASA Discipline Exobiology↗
NASA NTRS1991

Photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 in the VUV region

Using synchrotron radiation as a continuum light source, the photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 have been measured from their respective ionization thresholds to 1060 A. The vibrational constants associated with the nu(2) totally symmetric, out-of-plane bending vibration of the ground electronic state of PH3(+) have been obtained. The cross sections and quantum yields for producing neutral products through photoexcitation of these molecules in the given spectral regions have also been determined. In the present work, autoionization processes were found to be less important than dissociation and predissociation processes in NH3, PH3, and C2H4. Several experimental techniques have been employed in order to examine the various possible systematic errors critically.

Xia, T. J.↗
NASA NTRS1932

Resonance vibrations of aircraft propellers

On the basis of the consideration of various possible kinds of propeller vibrations, the resonance vibrations caused by unequal impacts of the propeller blades appear to be the most important. Their theoretical investigation is made by separate analysis of torsional and bending vibrations. This method is justified by the very great difference in the two natural frequencies of aircraft propeller blades. The calculated data are illustrated by practical examples. Thereby the observed vibration phenomenon in the given examples is explained by a bending resonance, for which the bending frequency of the propeller is equal to twice the revolution speed.

Liebers, Fritz↗
NASA NTRS2010

Evidence for Interlayer Collapse of Nontronite on Mars from Laboratory Visible and Near-IR Reflective Spectra

Dioctahedral smectites (e.g., nontronite and montmorillionite) are interpreted to occupy the optical surface of Mars at a number of locations on the basis of spectral features derived from interlayer H2O and MOH (M=Fe(3+)2, Fe(3+)Al, Al2, etc.) as observed by orbiting MRO-CRISM and MEx-OMEGA hyperspectral imaging spectrometers. At wavelengths shorter than approximately 2.7 micrometers, the strongest bands from interlayer H2O occur at approximately 1.4 and 1.9 micrometers from 2v1 and v1+v2, respectively, where v1 and v2 are the fundamental stretching and bending vibrations of the H2O molecule. Smectite MOH vibrations occur near 1.4 micrometers (stretching overtone) and in the region between 2.1 and 2.7 micrometers (stretching + bending combination). Because interlayer H2O can exchange with the martian environment, a number of studies have examined the strength of the interlayer H2O spectral features under Mars-like environmental conditions. The relationship between spectral properties and the underlying crystal structure of the smectites was not determined, and the extent of interlayer H2O removal was not established. We report combined visible and near-IR (VNIR), Mossbauer (MB), and powder X-ray diffraction (XRD) data for samples of the Fe-bearing smectite nontronite where the interlayer was collapsed by complete removal of interlayer H2O.

Morris, Richard V.↗
NASA NTRS1995

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Cations: The Polyacenes Anthracene, Tetracence, and Pentacene - 3

Gaseous, ionized polycyclic aromatic hydrocarbons (PAHS) are thought to be responsible for a very common family of interstellar infrared emission bands. Unfortunately, very little infrared spectroscopic data are available on ionized PAHS. Here we present the near- and mid-infrared spectra of the polyacene cations anthracene, tetracene, and pentacene. We also report the vibrational frequencies and relative intensities of the pentacene anion. The cation bands corresponding to the CC modes are typically about 10-20 times more intense than those of the CH out-of-plane bending vibrations. For the cations the CC stretching and CH in-plane bending modes give rise to bands which are an order of magnitude stronger than for the neutral species, and the CH out-of-plane bends produce bands which are 3-20 times weaker than in the neutral species. This behavior is similar to that found for most other PAH cations. The most intense PAH cation bands fall within the envelopes of the most intense interstellar features. The strongest absorptions in the polyacenes anthracene, tetracene, and pentacene tend to group around 1400/cm (between about 1340 and 1500/cm) and near 1180/cm, regions of only moderate interstellar emission. These very strong polyacene bands tend to fall in gaps in the spectra of the other PAH cations studied to date suggesting that while PAHs with polyacene structures may contribute to specific regions of the interstellar emission spectra, they are not dominant members of the interstellar PAH family.

Hudgins, D. M.↗
NASA NTRS1995

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Hydrocarbon Cations. 3. The Polyacenes Anthracene, Tetracene, and Pentacene

Gaseous, ionized Polycyclic Aromatic Hydrocarbons (PAH's) are thought to be responsible for a very common family of interstellar infrared emission bands. Unfortunately, very little infrared spectroscopic data are available on ionized PAH's. Here we present the near- and mid-infrared spectra of the polyacene cations anthracene, tetracene, and pentacene. We also report the vibrational frequencies and relative intensities of the pentacene anion. The cation bands corresponding to the CC modes are typically about 10-20 times more intense than those of the CH out-of-plane bending vibrations. For the cations the CC stretching and CH in-plane bending modes give rise to bands which are an order of magnitude stronger than for the neutral species, and the CH out-of-plane bends produce bands which are 3-20 times weaker than in the neutral species. This behavior is similar to that found for most other PAH cations. The most intense PAH cation bands fall within the envelopes of the most intense interstellar features. The strongest absorptions in the polyacenes anthracene, tetracene, and pentacene tend to group around 1400 / cm (between about 1340 and 1500 / cm) and near 1180 /cm, regions of only moderate interstellar emission. These very strong polyacene bands tend to fall in gaps in the spectra of the other PAH cations studied to date suggesting that while PAHs with polyacene structures may contribute to specific regions of the interstellar emission spectra, they are not dominant members of the interstellar PAH family.

Hudgins, D. M.↗
DOE OSTI2022

Conical intersection and coherent vibrational dynamics in alkyl iodides captured by attosecond transient absorption spectroscopy

The photodissociation dynamics of alkyl iodides along the C–I bond are captured by attosecond extreme-ultraviolet (XUV) transient absorption spectroscopy employing resonant ∼20 fs UV pump pulses. The methodology of previous experiments on CH3I [Chang et al., J. Chem. Phys. 154, 234301 (2021)] is extended to the investigation of a C–I bond-breaking reaction in the dissociative A-band of C2H5I, i-C3H7I, and t-C4H9I. Probing iodine 4d core-to-valence transitions in the XUV enables one to map wave packet bifurcation at a conical intersection in the A-band as well as coherent vibrations in the ground state of the parent molecules. Analysis of spectroscopic bifurcation signatures yields conical intersection crossing times of 15 ± 4 fs for CH3I, 14 ± 5 fs for C2H5I, and 24 ± 4 fs for i-C3H7I and t-C4H9I, respectively. Observations of coherent vibrations, resulting from a projection of A-band structural dynamics onto the ground state by resonant impulsive stimulated Raman scattering, indirectly reveal multimode C–I stretch and CCI bend vibrations in the A-bands of C2H5I, i-C3H7I, and t-C4H9I.

Chang, Kristina F. (ORCID:000000022315039X)↗
DOE OSTI2025

Diffusion Monte Carlo Study of the Structure and Spectroscopy of H 3 O –

A potential energy surface for H 3 O – has been developed based on the NN+(MOB-ML) approach we developed for studies of complexes of OH – with two or three water molecules. Unlike those systems, H 3 O – has two low-energy isomers, H – ·H 2 O and OH – ·H 2 , which differ in energy by less than 2.5 kcal mol –1 , and which are separated by a barrier of roughly 4.5 kcal mol –1 . We find that by training the NN+(MOB-ML) model using structures based on diffusion Monte Carlo (DMC) simulations initiated in the two potential minima, we are able to obtain a potential surface that describes both isomers. Using these potentials, the structure and spectra of H 3 O – and its deuterated analogues are investigated using DMC. These calculations show that the ground state wave function for H 3 O – is mainly localized in the H – ·H 2 O minimum in the potential, with a small amount of the probability amplitude (<5%) in the region of the OH – ·H 2 minimum. The delocalization of the wave function into the secondary minimum is lowered by deuteration of the water molecule, while replacing H – with D – increases the isomerization due to the shortening of the average distance between the hydride ion and the hydrogen atom in water to which it is bound. Introducing one quantum of excitation in the H – ···H 2 O stretching vibration increases the amount of isomerization, while the isomerization decreases with additional excitation of this mode. Excitation of the free OH stretch in the water molecule also increases the amount of isomerization, while excitation of the out-of-plane bending vibration suppresses the isomerization. Furthermore, the effects of partial deuteration on the frequencies for these vibrations are also explored.

Chemical structure↗
DOE OSTI2025

Simultaneous imaging of vibrational, rotational, and electronic wave-packet dynamics in a triatomic molecule

Light-induced molecular dynamics often involve the excitation of several electronic, vibrational, and rotational states. Since the ensuing electronic and nuclear motion determines the pathways and outcomes of photoinduced reactions, our ability to monitor and understand these dynamics is crucial for molecular physics, physical chemistry, and photobiology. However, characterizing this complex motion represents a significant challenge when different degrees of freedom are strongly coupled. In this Letter, we demonstrate how the interplay between vibrational, rotational, and electronic degrees of freedom governs the evolution of molecular wave packets in the low-lying states of strong-field-ionized sulfur dioxide. Using time-resolved Coulomb explosion imaging (CEI) and quantum mechanical wave packet simulations, we directly map the bending vibrations of the molecule, show how the vibrational wave packet is influenced by molecular alignment, and elucidate the consequences of nuclear motion for the coupling between the two lowest electronic states of the cation. Furthermore, our results demonstrate that multicoincident CEI can be an efficient experimental tool for characterizing coupled electronic and nuclear motion in polyatomic molecules.

Atomic & molecular processes in external fields↗
NASA NTRS1997

Laboratory Kinetic Studies of OH and CO2 Relevant to Upper Atmospheric Radiation Balance

The purpose of this project was to quantify the rates of two processes which are crucial to our understanding of radiative energy balance in the upper atmosphere. The first process is radiative emission from vibrationally hot OH radicals following the H + O3 reaction in the upper mesosphere. The importance of this process depends strongly on the OH radiative emission coefficients. Our goal was to measure the OH permanent dipole moment in excited vibrational states and to use these measurements to construct an improved OH dipole moment function and improved radiative emission coefficients. Significant progress was made on these experiments including the construction of a supersonic jet source for vibrationally excited OH radicals. Unfortunately, our efforts to transport the OH radicals into a second lower pressure vacuum chamber were not successful, and we were unable to make improved dipole moment measurements for OH. The second key kinetic process which we attempted to quantify during this project is the rate of relaxation of bend-excited CO2 by oxygen atoms. Since excitation of the bending vibrational mode of CO2 is the major cooling mechanism in the upper mesosphere/lower thermosphere, the cooling rate of this region depends crucially on the rate of energy transfer out of this state. It is believed that the most efficient transfer mechanism is via atomic oxygen but the rate for this process has not been directly measured in the laboratory at appropriate temperatures and even the room temperature rate remains controversial. We attempted to directly measure the relaxation rate Of CO2 (010) by oxygen atoms using the discharge flow technique. This experiment was set up at Aerodyne Research. Again, significant progress was achieved in this experiment. A hot CO2 source was set up, bend excited CO2 was detected and the rate of relaxation of bend excited CO2 by He atoms was measured. Unfortunately, the project ran out of time before the oxygen atom kinetic studies could be implemented.

Nelson, David D.↗
NASA NTRS2004

Novel High-Voltage, High-Power Piezoelectric Transformer Developed and Demonstrated for Space Communications Applications

Improvements in individual piezoelectric transformer (PT) performance and the combination of these PTs in a unique modular topology under a Phase I contract with the NASA Glenn Research Center have enabled for the first time the simultaneous achievement of both high voltage and high power at much higher levels than previously obtained with any PT. Feasibility was demonstrated by a prototype transformer (called a Tap-Soner), which is shown in the preceding photograph as part of a direct-current to direct-current (dc-dc) converter having two outputs rated at 1.5 kV/5 W and 4.5 kV/20 W. The power density of 3.5 W/cm3 is significantly lower than for magnetic transformers with the same voltage and power output. This development, which is being done under a Small Business Innovation Research (SBIR) contract by Face Electronics, LC (Norfolk, VA), is based on improvements in the materials and design of Face's basic patented Transoner-T3 PT, shown in the left in the following figure. The T3 PT is most simply described as a resonant multilayer transducer where electrical energy at the input section is efficiently mechanically coupled to the output section, which then vibrates in a fundamental longitudinal mode to generate a high gain in voltage. The piezoelectric material used is a modified lead-zirconium-titanate-based ceramic. One of the significant improvements in PT design was the incorporation of a symmetrical double input layer, shown on the right in the following figure, which eliminated the lossy bending vibration modes characteristic of a single input layer. The performance of the improved PT was optimized to 1.5 kV/5 W. The next step was devising a way to combine the individual PTs in a modular circuit topology needed to achieve the desired high voltage and power output. Since the optimum performance of the individual PT occurs at resonance, the most efficient operation of the modular transformer was achieved by using a separate drive circuit for each PT. The output section consists of a separate output rectifier for each PT connected in series.

Carazo, Alfredo V.↗
DOE OSTI2020

Vibrational Spectroscopic Monitoring of the Gelation Transition in Nafion Ionomer Dispersions

Infrared and Raman spectroscopy techniques were applied to investigate the drying and aggregation behavior of Nafion ionomer particles dispersed in aqueous solution. Gravimetric measurements aided the identification of gel-phase development within a series of time-resolved spectra that tracked transformations of a dispersion sample during solvent evaporation. A spectral band characteristic of ionomer sidechain end group vibration provided a quantitative probe of the dispersion-to-gel change. For sets of attenuated total reflection Fourier transform infrared (ATR FT-IR) spectra, adherence to Beer's law was attributed to the relatively constant refractive index in the frequency region of hydrated –SO$^{–}_{3}$ group vibrations as fluorocarbon-rich ionomer regions aggregate in forming the structural framework of membranes and thin films. Although vibrational bands associated with ionomer backbone CF 2 stretching vibrations were affected by distortion characteristic of wavelength-dependent refractive index change within a sample, the onset of band distortion signaled gel formation and coincided with ionomer mass % values just below the critical gelation point for Nafion aqueous dispersions. Similar temporal behavior was observed in confocal Raman microscopy experiments that monitored the formation of a thin ionomer film from an individual dispersion droplet. For the ATR FT-IR spectroscopy and confocal Raman microscopy techniques, intensity in the water H–O–H bending vibrational band dropped sharply at the ionomer critical gelation point and displayed a time dependence consistent with changes in water content derived from gravimetric measurements. The reported studies lay groundwork for examining the impact of dispersing solvents and above-ambient temperatures on fluorinated ionomer transformations that influence structural properties of dispersion-cast membranes and thin films.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Dynamic response of a hammerhead launch vehicle wind-tunnel model

A wind-tunnel test of a 1/10th-scale Atlas-Centaur I large payload fairing launch vehicle model was conducted in the NASA Langley Transonic Dynamics Tunnel. The wind tunnel model was an aeroelastically-scaled version of the flight vehicle and was capable of simulating either of the first two bending vibration modes of the full-scale vehicle by a partial mode technique. The primary purpose of the test was to gather data concerning buffet response which could be used to clear the vehicle for flight. Additionally, angle-of-attack studies were conducted and several payload fairing configurations were tested to assess the buffet response and dynamic stability of off-design flight conditions and geometric parameters. No dynamic instabilities were found for any of the configurations tested. The buffet response data for the nominal flight configuration indicate that the unsteady buffet loads represent 5 to 10 percent of the total design load; therefore, the buffet loads are not a large factor affecting the overall vehicle design. Payload fairing length-to-diameter ratio variations were found to have small effects on the buffet response of the model, except in the case of the smallest length-to-diameter models for the second bending mode simulation. The effects of angle of attack on buffet response were found to be small. The model was more sensitive to Mach number changes than to angle of attack. The buffet response results from this wind tunnel test were influenced by the tunnel facility vibration levels. An attempt was made to experimentally reduce the effect of the facility mechanical vibration for the nominal flight configuration by testing with vertical rods used to stiffen the sting support. The first flight of the Atlas-Centaur I vehicle successfully occurred on July 25, 1990, and a comparison of flight measurements with wind tunnel data is presented. The flight data was found to be well within the 3 sigma level of the wind tunnel data.

Cole, Stanley R.↗