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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

High-Accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 1(exp 1)A' l-C3H(-): A Possible Link to Lines Observed in the Horsehead Nebula PDR

It has been shown that rotational lines observed in the Horsehead nebula photon-dominated-region (PDR) are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 1 (sup 1)A' C3H(−). The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar anions. Additionally, the computed D-eff for C3H(−) is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C3H(+). As a result, 1 (sup 1)A' C3H(−). is a more viable candidate for these observed rotational transitions and would be the seventh confirmed interstellar anion detected within the past decade and the first C(sub n)H(−) molecular anion with an odd n.

Horsehead nebula↗
NASA NTRS1990

Vibrational frequencies for Be3 and Be4

The harmonic frequencies of Be3 and Be4, evaluated by multireference configuration-interaction (MRCI) and singles and doubles coupled-cluster (CCSD) methods, are reported, as are IR intensities evaluated by using the double harmonic approximation. A comparison of the results shows that the CCSD method augmented with a correction for connected triple excitations, CCSD(T), can be a viable alternative to MRCI for determining the ground-state properties of small Be clusters (other than the dimer). Results of normal mode analyses indicate that the anharmonic vibrational frequencies of Be3 and Be4 are reasonably consistent at the CCSD, CCSD(T), or MRCI levels of treatment.

Rendell, Alistair P.↗
NASA NTRS1943

Piezoelectric Instruments of High Natural Frequency Vibration Characteristics and Protection Against Interference by Mass Forces

The exploration of the processes accompanying engine combustion demands quick-responding pressure-recording instruments, among which the piezoelectric type has found widespread use because of its especially propitious properties as vibration-recording instruments for high frequencies. Lacking appropriate test methods, the potential errors of piezoelectric recorders in dynamic measurements could only be estimated up to now. In the present report a test method is described by means of which the resonance curves of the piezoelectric pickup can be determined; hence an instrumental appraisal of the vibration characteristics of piezoelectric recorders is obtainable.

Gohlka, Werner↗
NASA NTRS1973

Industrial filter bags cleaned by high-frequency vibration: A concept

System holds filter bag around fine-mesh metal screen and vibrates screen at its resonant frequency. This removes deposited byproducts and protects bag fibers from damaging forces. Because filter bags represent 20 to 40% of any industrial filtering investment, this method of extending bag life should be of interest to those responsible for plant maintenance.

Kooy, A. V.↗
NASA NTRS1993

Evaluation of Conservatism in Low Frequency Vibration Test Control

Aerospace structures are typically qualified for low frequency flight environments by using a swept-sine vibration test method. However, this ground testing has a tendency to produce substantial overtesting at certain frequencies. This paper presents an evaluation of the response conservatism present with a typical swept-sine and two transient vibration tests when applied to a typical spacecraft component. The absolute conservatism between a typical launch transient response and the test environment responses is measured using alternative characterizations of transient vibrations previously used in shock testing. The characterizations used include the Shock Intensity Spectrum, Shock Response Spectrum, Acceleration Root Mean Square in both frequency and time domains, and Ranked Peaks. Control of the test/flight conservatism is shown to be possible through the overtest factor (OTF) parameter.

Conservatism↗
DOE OSTI2025

Low Frequency Vibrational Modes of Two-Dimensional Lead-Free Metal Halide Double Perovskites

2D layered double perovskites of (S-MPA) 4 AgBiI 8 (MPA-AgBiI 8 ) and (S-MPA) 4 CuBiI 8 (MPA-CuBiI 8 ) (S-MPA, S-β-methylphenethylammonium) were synthesized with a hydrothermal method. The crystal structure of MPA-AgBiI 8 was determined using single-crystal X-ray diffraction (scXRD). Powder XRD (pXRD) data suggest that the crystal structure of MPA-CuBiI 8 is more complex than that of MPA-AgBiI 8 . UV-Vis electronic absorption spectra of these perovskites reveal a bandgap of 2.03 eV for both. Short exciton lifetime from time-resolved photoluminescence (TRPL) results and low PL intensity of the Cu-based perovskite suggest a high density of trap states within the bandgap. Low frequency Raman spectra of both materials show distinct peaks and a slightly higher frequency for the Cu-based perovskite than the Ag-based perovskite. Density functional theory (DFT) calculations were conducted to simulate the low frequency Raman spectra and help explain the different phonon modes, which are collective vibrations of metal halide bond bending and stretching within the Ag- and Cu-centered octahedra coupled with MPA libration and twisting within the inorganic layer. The DFT theory also quantified octahedral distortions in the two perovskites. Furthermore, this combined experimental and computational study provides new insights into the low frequency vibrations of 2D perovskites.

Halogens↗
NASA NTRS1971

Portable low-frequency vibration measuring and recording system

Information gathering system measures and records vibrations which affect personnel comfort in space, air, and surface vehicles. Three vibration transducers with mutually perpendicular axes control the frequency output of voltage controlled oscillators /VCO/. Outputs of VCO'S are multiplexed and then recorded on one track of stereo tape recorder.

Clevenson, S. A.↗
NASA NTRS1993

Low-frequency vibration environment for five Shuttle missions

The Microgravity Science and Applications Division's (MSAD) program to record and analyze the Shuttle's vibration environment is reviewed. This program provides microgravity science investigators with time and frequency analyses of the acceleration environment during their experiments' operation. Information is also provided for future investigators on the expected Shuttle vibration environment. As background, the two major elements of the program are discussed, the Space Acceleration Measurement System (SAMS) and the Acceleration Characterization and Analysis Project (ACAP). A comparison of the acceleration measurements from five Shuttle missions is discussed.

Baugher, George R.↗
NASA NTRS2002

Prediction and validation of high frequency vibration repsonses of NASA Mars Pathfinder spacecraft due to acoustic launch load using statistical energy analysis

Mid and high frequency structural responses of a spacecraft during the launch condition are mainly dominated by the intense acoustic pressure field over the exterior of the launch vehicle. The prediction of structural responses due to the acoustic launch load is therefore an important analysis for engineers and scientists to correctly define various dynamics specifications of the spacecraft.

statistical energy analysis SEA high frequency res↗
NASA NTRS1996

Low Frequency Vibration Characteristics of the Space Acceleration Measurement System 2 Tape Drive Assembly

This report summarizes results of force and moment measurements of the Space Acceleration Measurement System 2 (SAMS 2) Tape Drive Assembly (TDA) over the frequency range from 0.35 Hz to 256 Hz for steady state operations including write, read, rewind, and fast forward. Time domain force results are presented for transient TDA operations that include software eject, manual eject, and manual load. Three different mounting configurations were employed for attaching the inner box with the tape drive unit to the outer box. Two configurations employed grommet sets with spring rates of 42 and 62 pounds per inch respectively. The third configuration employed a set of metallic washers. For all four steady state operations the largest average forces were on the Y axis with the metallic washers and were less than 0.005 pounds. The largest average moments were on the X axes with the washers and were less than 0.030 pound inches. At the third octave centerband frequency of 31.5 Hz, the 42 pound per inch grommets showed the greatest forces and moments for read and write operations. At the third octave centerband frequency of 49.6 Hz, the 62 pound per inch grommets showed the greatest forces and moments for rewind operation. Transient operation forces ranged from 0.75 pounds for the software eject to greater than 1 pound for manual load and eject.

Javeed, Mehzad↗
NASA NTRS2015

The Structure, Anharmonic Vibrational Frequencies, and Intensities of NNHNN+

A semi-global potential energy surface (PES) and quartic force field (QFF) based on fitting high-level electronic structure energies are presented to describe the structures and spectroscopic properties of NNHNN+. The equilibrium structure of NNHNN+ is linear with the proton equidistant between the two nitrogen groups and thus of D(sub ∞h) symmetry. Vibrational second-order perturbation theory (VPT2) calculations based on the QFF fails to describe the proton “rattle” motion, i.e., the antisymmetric proton stretch, due to the very flat nature of PES around the global minimum, but performs properly for other modes with sharper potential wells. Vibrational self-consistent field/virtual state configuration interaction (VSCF/VCI) calculations using a version of MULTIMODE without angular momentum terms successfully describe this motion and predict the fundamental to be at 759 cm(exp -1). This is in good agreement with the value of 746 cm(exp -1) from a fixed-node diffusion Monte Carlo calculation and the experimental Ar-tagged result of 743 cm(exp -1). Other VSCF/VCI energies are in good agreement with other experimentally reported ones. Both double-harmonic intensity and rigorous MULTIMODE intensity calculations show the proton transfer fundamental has a very strong intensity.

Astrochemistry↗
NASA NTRS1993

Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC

The quartic force fields of HCN and HNC are determined using atomic natural orbital one-particle basis sets of spdf/spd and spdfg/spdf quality in conjunction with the CCSD(T) electron correlation method (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations). The HCN force field is in good agreement with a recent experimentally derived force field and also with the force field recently computed by Wong and Bacskay. On the basis of the good agreement obtained for HCN, it is argued that the ab initio quartic force field for HNC is superior to a prior force field derived from experiment. The harmonic frequencies of HNC are predicted to be 3822 +/- 10,472 +/- 5, and 2051 +/-10/cm for omega1, omega2, and omega3, respectively; the experimentally derived values are above these values and fall outside the estimated uncertainties. Using the quartic force field, spectroscopic constants are predicted for HNC based on a vibrational second-order perturbation theory analysis. It is also asserted that the gas-phase fundamental v(sub 3) for HNC is slightly lower than the matrix isolation value. The range of validity of the quartic force fields is investigated by comparison of variational vibrational energies computed with the quartic force fields to those obtained from our recently reported global HCN/HNC potential energy surface and also to experimental data.

Lee, Timothy J.↗
NASA NTRS1993

Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC

The quartic force fields of HCN and HNC are determined using atomic natural orbital one-particle basis sets of spdf/spd and spdfg/spdf quality in conjunction with the CCSD(T) electron correlation method (singles and doubles coupled-cluster theory plus a perturbation estimate of the effects of connected triple excitations). The HCN force field is in good agreement with a recent experimentally derived force field and also with the force field recently computed by Wong and Bacskay. On the basis of the good agreement obtained for HCN, it is argued that the ab initio quartic force field for HNC is superior to a prior force field derived from experiment. The harmonic frequencies of HNC are predicted to be 3822 +/- 10, 472 +/- 5, and 2051 +/- 10 cm(exp -1) for omega(sub 1), omega(sub 2), and omega(sub 3), respectively; the experimentally derived values are above these values and fall outside the estimated uncertainties. Using the quartic force field, spectroscopic constants are predicted for HNC based on a vibrational second-order perturbation theory analysis. It is also asserted that the gas-phase fundamental nu(sub 3) for HNC is slightly lower than the matrix isolation value. The range of validity of the quartic force fields is investigated by comparison of variational vibrational energies computed with the quartic force fields to those obtained from our recently reported global HCN/HNC potential energy surface and also to experimental data.

Lee, Timothy J.↗