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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

Spectroscopic Constants and Vibrational Frequencies for l-C3H+ and Isotopologues from Highly-Accurate Quartic Force Fields: The Detection of l-C3H+ in the Horsehead Nebula PDR Questioned

Very recently, molecular rotational transitions observed in the photon-dominated region of the Horsehead nebula have been attributed to l-C3H+. In an effort to corroborate this finding, we employed state-of-the art and proven high-accuracy quantum chemical techniques to compute spectroscopic constants for this cation and its isotopologues. Even though the B rotational constant from the fit of the observed spectrum and our computations agree to within 20 MHz, a typical level of accuracy, the D rotational constant differs by more than 40%, while the H rotational constant differs by three orders of magnitude. With the likely errors in the rotational transition energies resulting from this difference in D on the order of 1 MHz for the lowest observed transition (J = 4 yields 3) and growing as J increases, the assignment of the observed rotational lines from the Horsehead nebula to l-C3H+ is questionable.

ISM: individual objects↗
NASA NTRS2014

Driving an Active Vibration Balancer to Minimize Vibrations at the Fundamental and Harmonic Frequencies

Vibrations of a principal machine are reduced at the fundamental and harmonic frequencies by driving the drive motor of an active balancer with balancing signals at the fundamental and selected harmonics. Vibrations are sensed to provide a signal representing the mechanical vibrations. A balancing signal generator for the fundamental and for each selected harmonic processes the sensed vibration signal with adaptive filter algorithms of adaptive filters for each frequency to generate a balancing signal for each frequency. Reference inputs for each frequency are applied to the adaptive filter algorithms of each balancing signal generator at the frequency assigned to the generator. The harmonic balancing signals for all of the frequencies are summed and applied to drive the drive motor. The harmonic balancing signals drive the drive motor with a drive voltage component in opposition to the vibration at each frequency.

Holliday, Ezekiel S.↗
NASA NTRS1989

An analytical study of the effects of transverse shear deformation and anisotropy on natural vibation frequencies of laminated cylinders

Natural vibration frequencies of orthotropic and anisotropic simply supported right circular cylinders are predicted using a higher-order transverse-shear deformation theory. A comparison of natural vibration frequencies predicted by first-order transverse-shear deformation theory and the higher-order theory shows that an additional allowance for transverse shear deformation has a negligible effect on the lowest predicted natural vibration frequencies of laminated cylinders but significantly reduces the higher natural vibration frequencies. A parametric study of the effects of ply orientation on the natural vibration frequencies of laminated cylinders indicates that while stacking sequence affects natural vibration frequencies, cylinder geometry is more important in predicting transverse-shear deformation effects. Interaction curves for cylinders subjected to axial compressive loadings and low natural vibration frequencies indicate that transverse shearing effects are less important in predicting low natural vibration frequencies than in predicting axial compressive buckling loads. The effects of anisotropy are more important than the effects of transverse shear deformation for most strongly anisotropic laminated cylinders in predicting natural vibration frequencies. However, transverse-shear deformation effects are important in predicting high natural vibration frequencies of thick-walled laminated cylinders. Neglecting either anisotropic effects or transverse-shear deformation effects leads to non-conservative errors in predicted natural vibration frequencies.

Jegley, Dawn C.↗
DOE OSTI2024

The interplay of excitonic delocalization and vibrational localization in optical lineshapes: A variational polaron approach

The dynamics of molecular excitonic systems are complicated by a competition between electronic coupling (which drives delocalization) and vibrational-electronic (vibronic) interactions (which tend to encourage electronic localization). A particular challenge of molecular systems is that they typically possess a large number of independent vibrations, with frequencies often spanning the entire spectrum of relevant electronic energy gaps. Recent spectroscopic observations and numerical simulations on a water-soluble chlorophyll-binding protein (WSCP) reveal a transition between two regimes of vibronic behavior, a Redfield-like regime in which low-frequency vibrations respond to a delocalized excitonic state, and a Förster-like regime where high-frequency vibrations act as incoherent excitations on individual pigments. Although numerical simulations can reproduce these effects, there is a need for a simple, systematic theory that accurately describes the smooth transition between these two regimes in experimental spectra. Here we address this challenge by generalizing the variational polaron transform approach of [Bloemsma et al., Chem. Phys. 481, 250 (2016)] to include arbitrary bath densities for systems with or without symmetry. We benchmark this theory against both numerical matrix-diagonalization methods and experimental 77 K fluorescence spectra for two WSCP variants, obtaining quite satisfactory agreement in both cases. Here, we apply this theory to offer an explanation for the large loss in apparent electronic coupling in the WSCP Q57K mutant and to examine the likely impact of the interplay between excitonic delocalization and vibrational localization on vibrational sideband shapes and apparent coupling strengths in high-resolution optical spectra for chlorophyll-protein complexes such as WSCP.

14 SOLAR ENERGY↗
NASA NTRS1981

Altus small button cell performance

Results of testing performed on Altus lithium thionyl chloride cells are presented. The test plan followed simulates the mine environment. It involves nondestructive testing, ruggedness testing and destructive testing. The nondestructive testing involves open circuit voltage measurements initially on all the cells, alternating current resistance measurements initially on all the cells and closed circuit voltage pulses, 20s on and 20s through 1000, 100, 10 and 1 ohms at temperatures of -54 to 71 C. The ruggedness testing involves low frequency vibration, high frequency vibration, and two-phase water entry shock at temperatures of -54, 25 and 71 C. It also involves thermal shock tests.

Freeman, C.↗
NASA NTRS1993

Remote tire pressure sensing technique

A remote tire pressure sensing technique is provided which uses vibration frequency to determine tire pressure. A vibration frequency measuring device is attached to the external surface of a tire which is then struck with an object, causing the tire to vibrate. The frequency measuring device measures the vibrations and converts the vibrations into corresponding electrical impulses. The electrical impulses are then fed into the frequency analyzing system which uses the electrical impulses to determine the relative peaks of the vibration frequencies as detected by the frequency measuring device. The measured vibration frequency peaks are then compared to predetermined data describing the location of vibration frequency peaks for a given pressure, thereby determining the air pressure of the tire.

Robinson, Howard H.↗
NASA NTRS1989

Multiple-Boundary-Condition Vibration Tests

Multiple-boundary-condition testing method technique to improve analysis of vibrations in large structures. Conceived for vibrational testing, in terrestrial environment, of large, complicated three-dimensional structures intended for use in outer space. Objective of such testing, to identify parameters of mathematical models used to predict vibrations of such structures in absence of gravitation and air. Structure supported and/or restrained at several positions; excited at desired vibrational frequencies, and vibrations measured to determine characteristics of vibrational modes. Potential terrestrial uses in testing and evaluation of dynamics of towers and offshore structures and safety of large buildings in Earthquakes.

Kuo, Chin-Po↗
NASA NTRS1994

Passive Vibration Isolator For Experiments

Passive isolator reduces natural vibrational frequency of platform to less than 1 Hz - well below frequencies of vibration induced by human activity. Biological, crystal-growth, and other experiments mounted on platform protected against disturbances by technicians working in vicinity. Designed for use in microgravitational environment of spacecraft. Modified version designed for use on Earth by including components counteracting steady normal Earth gravitation. Consumes no electrical power, simple, and inexpensive.

Naumann, Robert J.↗
NASA NTRS2022

Energy Landscape, and Structural and Spectroscopic Characterization of Diazirine and Its Cyclic Isomers

Identifying new nitrogenated hydrocarbon molecules in the interstellar medium (ISM) is challenging due to the lack of comprehensive spectroscopic data from experiments. In this computational work, we focus on investigating the structures, relative energies, spectroscopic constants, and energy landscape of the cyclic isomers of diazirine (c-CH2N2) using ab initio quantum chemical methods. Density functional theory (DFT) methods and coupled cluster theory with singles and doubles including perturbative triples [CCSD(T)] and CCSD(T) with the explicitly correlated F12 b correction [CCSD(T)-F12b] were employed for this purpose along with large correlation consistent cc-pVTZ, cc-pVQZ, and cc-pV5Z basis sets. Harmonic vibrational frequencies, infrared vibrational intensities, rotational constants, and dipole moments are reported. An harmonic vibrational fundamentals along with centrifugal distortion constants, and vibration-rotation interaction constants are also reported for all the cyclic isomers. The energies computed with the CCSD(T) and CCSD(T)-F12b methods were extrapolated to the one-particle complete basis set (CBS) limit following a three-point formula. At the CCSD(T)-F12b/CBS level of theory the 3,3H-diazirine (c-CH2N2) is the lowest energy cyclic isomer followed by 1,3H-diazirine, (E)-1,2H-Diazirine, and (Z)-1,2H-diazirine which are 20.1, 47.8, and 51.3kcal mol-1above the 3,3H-Diazirine, respectively. Accurate structures and spectroscopic constants that are reported here could be useful for future identification of these cyclic nitrogenated organic molecules in the interstellar medium or circumstellar disks.

Energy Landscape↗
NASA NTRS2018

Electric Motor Noise from Small Quadcopters: Source Characteristics - Part II

The increased interest in electric motors for propulsion systems has driven interest in quantifying the contribution of electric motor noise to the overall sound levels and possible human annoyance of the propulsion system. This work presents acoustic measurements of electric motors used for small quadcopters to quantify the sound produced by a number of outrunning motors with different types of controllers. Results are presented for loaded and unloaded motors as installed and uninstalled configurations. Motor resonance frequencies were measured and computed. Current probe measurements showed that the supply current from the controllers contained significant harmonic content for the conventional and sinewave controllers. Acoustic results showed motor noise is typically radiated at frequencies near the mode 2 vibration frequency at roughly 5000 Hz. Electric motor noise was evident in the spectra produced by many of the motor-controller combinations for motors loaded with propellers with levels often greater than those for the motor alone due to increase in the stator magnetic flux density with increased current. An installed configuration produced increases in acoustic radiation over that of the uninstalled motor in a frequency range near the mode 1 vibration frequency near 1200 Hz. A companion paper (Part I - Acoustic Measurements), focuses on source identification using a phased array and directivity characteristics for a baseline configuration.

Motor Resonance Frequencies↗
NASA NTRS2019

Highly Accurate Quartic Force Field and Rovibrational Spectroscopic Constants for the Azirinyl Cation (c-C2NH2+) and Its Isomers

Azirinyl cation is an aromatic cyclic molecule that is isoelectronic with cyclopropenylidene, c-C3H2, and c-C3H3+. Cyclopropenylidene has been shown to be ubiquitous, existing in many different astrophysical environments. Given the similar chemistry between C and N, and the relative abundances between C and N in astrophysical environments, it is expected that there should be aromatic ringed molecules that incorporate N in the ring, but as yet, no such molecule has been identified. To address this issue, the present study uses high levels of electronic structure theory to compute a highly accurate quartic force field (QFF) for azirinyl cation and its two lowest lying isomers, the cyanomethyl and isocyanomethyl cations. The theoretical approach uses the singles and doubles coupled-cluster method that includes a perturbative correction for connected triple excitations, CCSD(T), together with extrapolation to the one-particle basis set limit and corrections for scalar relativity and core-correlation. The QFF is then used in a second order vibrational perturbation theory analysis (VPT2) to compute the fundamental vibrational frequencies and rovibrational spectroscopic constants for all three C2NH2+ isomers. The reliability of the VPT2 vibrational frequencies is tested by comparison to vibrational configuration interaction (VCI) calculations and excellent agreement is found between the two approaches. Fundamental vibrational frequencies and rovibrational spectroscopic constants for all singly substituted 13C, 15N, and D isotopologues are also reported. It is expected that the highly accurate spectroscopic data reported herein will be useful in the identification of these cations in high resolution experimental or astronomical observations.

Partha P Bera↗