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Results for “VIBRATIONAL FREQUENCY”

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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Control of resonant frequencies in adaptive structures by prestressing

The natural vibration frequencies of a structure can be affected by inducing stress in the structure. The success of this kind of control of the resonant frequencies of a truss structure depends on the geometry of the structure. It is shown that in adaptive truss structures the method is effective for vibrations in less stiff directions, such as the normal direction of the plane containing all of the bars of a node, suggesting its applicability for cable, membrane, and thin plate and shell structures.

Baycan, Can M.↗
NASA NTRS1986

Experimental and analytical generic space station dynamic models

A dynamic model used for verification of analytical and experimental methods is documented. The model consists of five substructures to simulate the multibody, low frequency nature of large space structures. Design considerations which led to a fundamental vibration frequency of less than one Hz are described. Finite element analysis used to predict the vibration modes and frequencies of the experimental model is presented. In addition, modeling of cable suspension effects using prestressed vibration analysis is described. Details of the expermental and analytical models are included to permit replication of the study. Results of the modal vibration tests and analysis are presented in a separate document.

Belvin, W. K.↗
NASA NTRS1991

Design of a vibration isolation system for a cycle ergometer to be used onboard the Space Shuttle

Low frequency vibrations generated during exercise using the cycle ergometer onboard the Space Shuttle are disrupting sensitive microgravity experiments. The design team is asked by NASA/USRA to generate alternatives for the design of a vibration isolation system for the cycle ergometer. It is the design team's objective to present alternative designs and a problem solution for a vibration isolation system for an exercise cycle ergometer to be used onboard the Space Shuttle. In the development of alternative designs, the design team emphasizes passive systems as opposed to active control systems. This decision is made because the team feels that passive systems are less complex than active control systems, external energy sources are not required, and mass is reduced due to the lack of machinery such as servomotors or compressors typical of active control systems. Eleven alternative designs are developed by the design team. From these alternatives, three active control systems are included to compare the benefits of active and passive systems. Also included in the alternatives is an isolation system designed by an independent engineer that was acquired late in the project. The eight alternatives using passive isolation systems are narrowed down by selection criteria to four considered to be the most promising by the design team. A feasibility analysis is performed on these four passive isolation systems. Based on the feasibility analysis, a final design solution is chosen and further developed. From the development of the design, the design team has concluded that passive systems are not effective at isolating vibrations for the low frequencies considered for this project. Recommendations are made for guidelines of passive isolation design and application of such systems.

Pearson, Lillian↗
NASA NTRS1965

Conical shell vibrations

Prediction of natural vibration frequencies and mode shapes of thin walled conical shells fixed at one end and free at other end

VIBRATIONAL FREQUENCY↗
DOE OSTI2026

Concordant Mode Approach (CMA): Vibrational Analysis of New and Upgraded Intermolecular Benchmarks for Noncovalent Bonding

The Concordant Mode Approach (CMA) is a novel method that offers tremendous potential for increasing the system size and the level of theory attainable in quantum chemical computations of molecular vibrational frequencies. To investigate the extension of CMA to intermolecular vibrations, computations with coupled cluster singles and doubles with perturbative triples theory [CCSD(T)] using two augmented correlation-consistent polarized-valence triple-ζ basis sets (aug-cc-pVTZ or h-aug-ccpVTZ) were performed on 17 prototypical loosely bound complexes of hydrogen-bonded, dispersion, and mixed character. These Level A results provide new and upgraded benchmarks for noncovalent bonding and a severe test for CMA vibrational analyses. The Level A target frequencies were recovered remarkably well using second-order Møller−Plesset perturbation theory (MP2) with h-aug-cc-pVTZ for generating the underlying (Level B) normal modes of the CMA scheme. Employing this Level B within the lowest-rung CMA-0A method reproduces the 435 benchmark frequencies with a mean absolute error (MAE) of 0.23 cm −1 and a corresponding standard deviation (σ) of 0.84 cm −1 ; strikingly, the corresponding subset of 106 interfragment frequencies exhibits MAE = 0.34 cm −1 and σ = 0.90 cm −1 . Subsequent application of the higher-rung CMA-2A scheme eliminates all outliers and reduces the overall MAE to a minuscule 0.08 cm −1 with the inclusion of only 3.0% of the off-diagonal couplings not accounted for by CMA-0A. Accordingly, the highly efficient CMA methodology proves to be robust even for vibrations on flat potential energy surfaces.

Aromatic compounds↗
NASA NTRS1989

The effect of ionization on the infrared absorption spectra of PAHs: A preliminary report

The emission lines observed in many interstellar IR sources at 3.28, 6.2, 7.7, 8.7, and 11.3 microns are theorized to originate from polycyclic aromatic hydrocarbons (PAHs). These assignments are based on analyses of lab IR spectra of neutral PAHs. However, it is likely that in the interstellar medium that PAHs are ionized, i.e., are positively charged. Besides, as pointed out by Allamandola et al., although the IR emission band spectrum resembles what one might expect from a mixture of PAHs, it does not match in details such as frequency, band profile, or relative intensities predicted from the absorption spectra of any known PAH molecule. One source of more information to test the PAH theory is ab initio molecular orbital theory. It can be used to compute, from first principles, the geometries, vibrational frequencies, and vibrational intensities for model PAH compounds which are difficult to study in the lab. The Gaussian 86 computer program was used to determine the effect of ionization on the infrared absorption spectra of several small PAHs: naphthalene and anthracene. A preliminary report is presented of the results of these calculations.

Defrees, Doug J.↗
DOE OSTI2026

High Pressure X-ray Diffraction and Equation of State of Hydrazine

Synchrotron X-ray diffraction has been used to investigate the structure and equation of state (EOS) of hydrazine (N 2 H 4 ) up to 54.3 GPa at 298 K. The diffraction patterns could be fit to a monoclinic unit-cell structure and put strong constraints on previously reported phase transitions documented by vibrational spectroscopy over this pressure range. Pressure–volume ( P–V ) data were fit using a Vinet EOS, yielding parameters: V 0 = 45.2 Å 3 /molecule (fixed), K 0 = 11.8(7) GPa, and K 0 ′ = 6.5(2). Previously measured high-pressure vibrational frequency shifts were used to estimate the vibrational free energy and model P–V–T isotherms from 0 to 1200 K. The results of the P–V–T isotherms are compared to existing shock Hugoniot data on hydrazine and 298 K isotherms for assemblages of possible decomposition products. This comparison suggests dissociation at high density under shock loading. Good correspondence was found between the static lattice EOS as calculated by the model and the previously reported EOS as calculated by density functional theory. Finally, these results resolve existing uncertainties about the EOS and crystal symmetry of hydrazine at high pressure and provide valuable baseline information on this important energetic material.

diffraction↗
NASA NTRS2002

Infrared Spectra of Hydrated Magnesium Salts and their Role in the Search for Possible Life Conditions on Jupiter Moons

Recent observations from the Galileo satellite indicate that three of the Jupiter moons, Europa, Ganymede, and Callisto, may have subsurface oceans. Possible existence of such ocean and the nature of its composition are of great interest to astrobiologists. Data from Galileo's NIMS spectrometer indicate the possibility of hydrated salts on Europa's surface. To aid in the design of future missions, we investigated infrared spectra of MgSO4-nH20, n=1-3 using ab initio calculations. Geometry, energetics, dipole moments, vibrational frequencies and infrared intensities of pure and hydrated MgSO4 salts were determined. Significant differences are found between vibrational spectra of water molecules in complexes with MgSO4 and pure water. Some of the O-H stretching frequencies in the complexes are shifted to the red by up to 1,500 - 2,000 per cm. In addition, the SO2 stretching vibrations are found at lower frequency regions than the water vibrations. The calculated bands of water and SO2 fragments can serve as markers for the existence of the salt-water complexes on the surface of Jupiter's moon.

Chaban, Galina↗
NASA NTRS1994

High temperature superconductors for magnetic suspension applications

High temperature superconductors (HTS) hold the promise for applications in magnetic levitation bearings, vibration damping, and torque coupling. Traditional magnetic suspension systems require active feedback and vibration controls in which power consumption and low frequency vibration are among the major engineering concerns. HTS materials have been demonstrated to be an enabling approach towards such problems due to their flux trapping properties. In our laboratory at TCSUH, we have been conducting a series of experiments to explore various mechanical applications using HTS. We have constructed a 30 lb. model flywheel levitated by a hybrid superconducting magnetic bearing (HSMB). We are also developing a levitated and vibration-dampled platform for high precision instrumentation. These applications would be ideal for space usages where ambient temperature is adequate for HTS to operate properly under greatly reduced cryogenic requirements. We will give a general overview of these potential applications and discuss the operating principles of the HTS devices we have developed.

Mcmichael, C. K.↗
NASA NTRS1996

The Calculation of Accurate Harmonic Frequencies of Large Molecules: The Polycyclic Aromatic Hydrocarbons, a Case Study

The vibrational frequencies and infrared intensities of naphthalene neutral and cation are studied at the self-consistent-field (SCF), second-order Moller-Plesset (MP2), and density functional theory (DFT) levels using a variety of one-particle basis sets. Very accurate frequencies can be obtained at the DFT level in conjunction with large basis sets if they are scaled with two factors, one for the C-H stretches and a second for all other modes. We also find remarkably good agreement at the B3LYP/4-31G level using only one scale factor. Unlike the neutral PAHs where all methods do reasonably well for the intensities, only the DFT results are accurate for the PAH cations. The failure of the SCF and MP2 methods is caused by symmetry breaking and an inability to describe charge delocalization. We present several interesting cases of symmetry breaking in this study. An assessment is made as to whether an ensemble of PAH neutrals or cations could account for the unidentified infrared bands observed in many astronomical sources.

Bauschlicher, Charles W., Jr.↗
DOE OSTI2024

Distinct vibrational motions promote disparate excited-state decay pathways in cofacial perylenediimide dimers

A complex interplay of structural, electronic, and vibrational degrees of freedom underpins the fate of molecular excited states. Organic assemblies exhibit a myriad of excited-state decay processes, such as symmetry-breaking charge separation (SB-CS), excimer (EX) formation, singlet fission, and energy transfer. Recent studies of cofacial and slip-stacked perylene-3,4:9,10-bis(dicarboximide) (PDI) multimers demonstrate that slight variations in core substituents and H- or J-type aggregation can determine whether the system follows an SB-CS pathway or an EX one. However, questions regarding the relative importance of structural properties and molecular vibrations in driving the excited-state dynamics remain. Here, we use a combination of two-dimensional electronic spectroscopy, femtosecond stimulated Raman spectroscopy, and quantum chemistry computations to compare the photophysics of two PDI dimers. The dimer with 1,7-bis(pyrrolidin-1′-yl) substituents (5PDI2) undergoes ultrafast SB-CS from a photoexcited mixed state, while the dimer with bis-1,7-(3′,5′-di-t-butylphenoxy) substituents (PPDI2) rapidly forms an EX state. Examination of their quantum beating features reveals that SB-CS in 5PDI2 is driven by the collective vibronic coupling of two or more excited-state vibrations. In contrast, we observe signatures of low-frequency vibrational coherence transfer during EX formation by PPDI2, which aligns with several previous studies. We conclude that key electronic and structural differences between 5PDI2 and PPDI2 determine their markedly different photophysics.

Chemistry↗
NASA NTRS1983

On the three-dimensional vibrations of the cantilevered rectangular parallelepiped

A solution is presented for the three-dimensional problem of determining the free vibration frequencies and mode shapes for a rectangular parallelepiped which is completely fixed on one face and free on the other five faces. This problem apparently is previously unsolved in the published literature. The Ritz method is used, with displacements assumed in the form of algebraic polynomials. Convergence is studied. Numerical results are given for the first five frequencies of each of the four symmetry classes of vibration, for five thick parallelepiped configurations, including the cube. Contour plots are exhibited for the modal displacements of the cube. The effects of varying Poisson's ratio are also observed.

Leissa, A.↗
NASA NTRS1998

Vibrational Spectrum of (CO)2 on Cu(100): Quantum Calculations with 18 Coupled Mode

We report calculations of the vibrational frequencies of CO dimer on Cu(100) using recently developed vibrational self-consistent field code. Eighteen modes are treated explicitly within three modes coupling representation. Nine symmetry distinct doublets are observed and the corresponding frequencies are computed. The thermally broadened spectrum of the CO-stretch fundamental is calculated at various temperatures. Both the temperature and coverage dependence of both the average CO-stretch frequency and the corresponding line-width are consistent with experimentally observed trends. The document contains no classified information International clearance is needed.

Dzegilenko, Fedor↗
NASA NTRS1992

Microgravity vibration isolation: Optimal preview and feedback control

In order to achieve adequate low-frequency vibration isolation for certain space experiments an active control is needed, due to inherent passive-isolator limitations. Proposed here are five possible state-space models for a one-dimensional vibration isolation system with a quadratic performance index. The five models are subsets of a general set of nonhomogeneous state space equations which includes disturbance terms. An optimal control is determined, using a differential equations approach, for this class of problems. This control is expressed in terms of constant, Linear Quadratic Regulator (LQR) feedback gains and constant feedforward (preview) gains. The gains can be easily determined numerically. They result in a robust controller and offers substantial improvements over a control that uses standard LQR feedback alone.

Hampton, R. D.↗