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Results for “Vibrational states”

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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

A new approach to active control of rotorcraft vibration

A state-variable feedback approach is utilized for active control of rotorcraft vibration. Fuselage accelerations are passed through undamped second-order filters with resonant frequencies at N/rev. The resulting outputs contain predominantly the N/rev vibration components, phase shifted by 180 deg, and are used to drive the blade pitch to cancel this component of fuselage vibration. The linear-quadratic-gaussian (LQG) method is used to design a feedback control system utilizing these filtered accelerations. The design is based on a nine-degree-of-freedom linear model of the Rotor System Research Aircraft (RSRA) in hover and is evaluated on a nonlinear blade-element simulation of the RSRA for this flight condition. The system is shown to essentially eliminate vibrations at N/rev in all axes. The required blade-pitch amplitude is within the capability of conventional actuators at the N/rev frequency.

Gupta, N. K.↗
NASA NTRS1989

Finite element large-amplitude free and forced vibrations of rectangular thin composite plates

A finite element formulation is presented for determining the large-amplitude free and steady-state forced vibration response of arbitrarily laminated anisotropic composite rectangular thin plates. The nonlinear stiffness and harmonic force matrices of an arbitrarily laminated composite rectangular plate element are developed for nonlinear free and forced vibration analyses. The linearized updated-mode method with nonlinear time function approximation is employed for the solution of the system nonlinear eigenvalue equations. The amplitude-frequency relations for convergence with gridwork refinement, different boundary conditions, aspect ratios, lamination angles and number of plies are presented. The finite element results are compared with available approximate continuum solutions.

Chiang, C. K.↗
NASA NTRS1987

Vibration-rotational intensities for the X 1Sigma(+) state of A1H and A1D

In the present calculation of vibrational-rotational line strengths for the ground electronic state of A1H and A1D, the vibrational and rotational quantum numbers used are respectively in the Delta-v zero-5 range for v-prime between zero and 15, and J-prime-J of + or - 1 for J-prime in the zero-50 range. The transition matrix elements were obtained on the basis of the Meyer and Rosmus (1975) ab initio dipole-moment function, together with the numerical vibrational-rotational energy function.

Tipping, R. H.↗
NASA NTRS1978

Vibrational intensity distributions for the various electronic states of O2/+/, N2/+/ and CO/+/ produced by photoionization

Vibrational intensity distributions obtained with many discrete emission lines are presented for all major electronic states of O2(+), N2(+) and CO(+) subjected to photoionization. The vibrational distributions are reported as a function of wavelength between 745 and 304 A. The data, provided by photoelectron spectroscopy with an electron energy analyzer of known luminosity, appear to be consistent with calculated Franck-Condon Factors. Evidence for autoionization in the data is also discussed.

Gardner, J. L.↗
DOE OSTI2024

Utilizing Quantum Cascade Lasers for Ultranarrow Velocity Resolution and Quantum-State Selectivity in Molecular Beam Scattering and Spectroscopy

Here, we demonstrate the capability of a narrow linewidth quantum cascade laser (QCL) to selectively excite a very narrow velocity range of nitric oxide (σ ≤ 7(3) m/s) with a pure ro-vibrational quantum state. By implementing a counter-propagating geometry, the molecules are selectively excited according to the Doppler shift of the ro-vibrational transition frequency such that the velocity width associated with the excited molecules depends only on the QCL linewidth. We demonstrate a velocity distribution limited by the effective linewidth of our free-running QCL (Γ = 3.2 MHz). Our development provides a cost-effective, flexible approach to resolve quantum-state selective chemical dynamics with excellent velocity resolution in a wide variety of molecules with infrared-active transitions. This technique has been formulated to provide ultrahigh collisional energy resolution in molecular beams to delineate final quantum-state product pairs in studies of molecular collisions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Nonlinear vibration of cylindrical shells

The large amplitude vibration of a thin-walled cylindrical shell is analyzed. A perturbation method is used to solve the steady-state forced vibration problem. The simply-supported boundary conditions and the circumferential periodicity condition are satisfied. The resulting solution indicates that in addition to the fundamental mode, the response contains asymmetric modes as well as axisymmetric modes with the frequency twice that of the fundamental mode. Vibrations involving a single driven mode response are investigated. The results indicate that the nonlinearity is either softening or hardening depending on the mode. The vibrations involving both a driven mode and a companion mode are also investigated. An experimental investigation is conducted, and the results are in qualitative agreement with the theory. 'Nonstationary' response is detected at some frequencies for large amplitude response in which the amplitude drifts from one value to another. Various nonlinear phenomena are observed and comparisons with the theoretical results are made.

Chen, J. C.↗
NASA NTRS1978

Internuclear dependence of the polarizability of N2

A study is made of the internuclear dependence of the polarizability of N2. Specifically, the dependencies of parallel and perpendicular polarizabilities on internuclear separation is found for the N2 molecule in its ground state. Results are presented for vibrationally elastic cross sections as functions of incident electron energy in an eight-state calculation and for the excitation of the first vibrational state.

Temkin, A.↗
NASA NTRS1993

Nonlinear vibrations of thin arbitrarily laminated composite plates subjected to harmonic excitations using DKT elements

A finite element formulation is presented for determining the large-amplitude free and steady-state forced vibration response of arbitrarily laminated anisotropic composite thin plates using the Discrete Kirchhoff Theory (DKT) triangular elements. The nonlinear stiffness and harmonic force matrices of an arbitrarily laminated composite triangular plate element are developed for nonlinear free and forced vibration analyses. The linearized updated-mode method with nonlinear time function approximation is employed for the solution of the system nonlinear eigenvalue equations. The amplitude-frequency relations for convergence with gridwork refinement, triangular plates, different boundary conditions, lamination angles, number of plies, and uniform versus concentrated loads are presented.

Chiang, C. K.↗
NASA NTRS1993

The harmonic oscillator and nuclear physics

The three-dimensional harmonic oscillator plays a central role in nuclear physics. It provides the underlying structure of the independent-particle shell model and gives rise to the dynamical group structures on which models of nuclear collective motion are based. It is shown that the three-dimensional harmonic oscillator features a rich variety of coherent states, including vibrations of the monopole, dipole, and quadrupole types, and rotations of the rigid flow, vortex flow, and irrotational flow types. Nuclear collective states exhibit all of these flows. It is also shown that the coherent state representations, which have their origins in applications to the dynamical groups of the simple harmonic oscillator, can be extended to vector coherent state representations with a much wider range of applicability. As a result, coherent state theory and vector coherent state theory become powerful tools in the application of algebraic methods in physics.

Rowe, D. J.↗
DOE OSTI2023

Breath analysis by ultra-sensitive broadband laser spectroscopy detects SARS-CoV-2 infection

Rapid testing is essential to fighting pandemics such as coronavirus disease 2019 (COVID-19), the disease caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Exhaled human breath contains multiple volatile molecules providing powerful potential for non-invasive diagnosis of diverse medical conditions. We investigated breath detection of SARS-CoV-2 infection using cavity-enhanced direct frequency comb spectroscopy (CE-DFCS), a state-of-the-art laser spectroscopic technique capable of a real-time massive collection of broadband molecular absorption features at ro-vibrational quantum state resolution and at parts-per-trillion volume detection sensitivity. Using a total of 170 individual breath samples (83 positive and 87 negative with SARS-CoV-2 based on reverse transcription polymerase chain reaction tests), we report excellent discrimination capability for SARS-CoV-2 infection with an area under the receiver-operating-characteristics curve of 0.849(4). Our results support the development of CE-DFCS as an alternative, rapid, non-invasive test for COVID-19 and highlight its remarkable potential for optical diagnoses of diverse biological conditions and disease states.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Beta Decay of Molecular Tritium

The beta decay of tritium in the form of molecular T 2 is the basis of sensitive experiments to measure neutrino mass. The final-state electronic, vibrational, and rotational excitations modify the beta spectrum significantly and are obtained from theory. We further determine measurements of the branching ratios to specific ionization states for the isotopolog HT. Two earlier, concordant measurements gave branching ratios of HT to the bound HHe + ion of 89.5% and 93.2%, in sharp disagreement with the theoretical prediction of 55%–57%, raising concerns about the theory’s reliability in neutrino mass experiments. Our finding, 56.5(6)%, is compatible with the theoretical expectation and disagrees strongly with the previous measurements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Predicting nucleon-nucleus scattering observables using nuclear structure theory

Developing a predictive capability for inelastic scattering will find applications in multiple areas. Experimental data for neutron-nucleus inelastic scattering is limited and thus one needs a robust theoretical framework to complement it. Charged-particle inelastic scattering can be used as a surrogate for ( n, γ ) reactions to predict capture cross sections for unstable nuclei. Our work uses microscopic nuclear structure calculations for spherical nuclei to obtain nucleon-nucleus scattering potentials and calculate cross sections for these processes. We implement the Jeukenne, Lejeune, Mahaux (JLM) semi-microscopic folding approach, where the medium effects on nuclear interaction are parameterized in nuclear matter to obtain the nucleon-nucleon ( NN ) interaction in a medium at positive energies. We solve for the nuclear ground state using the Hartree-Fock-Bogliubov (HFB) many-body method, assuming the nucleons within the nucleus interact via the Gogny-D1M potential. The vibrational excited states of the target nucleus are calculated using the quasi-particle random phase approximation (QRPA). We demonstrate our approach for spherical nuclei in the medium-mass region, showing scattering results for the 90 Zr nucleus.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1982

Determination of accurate dissociation limits and interatomic interactions at large internuclear distances

This paper illustrates (using the molecules LiH, Li2 and Na2) how laser-induced fluorescence can be used to greatly expand the range of observed vibrational levels in ground electronic states. This expanded vibrational range leads to the determination of virtually the full well of the potential energy curve. This also leads to improved determination of the dissociation limit and serves as a severe test for highly accurate ab initio calculations now available for many small molecules.

Stwalley, W. C.↗
NASA NTRS1982

Integrating matrix solution of the hybrid state vector equations for beam vibration

A simple, versatile, and efficient computational technique has been developed for dynamic analysis of linear elastic beam and rod type of structures. Moreover, the method provides a rather general solution approach for two-point boundary value problems that are described by a single independent spatial variable. For structural problems, the method is implemented by a mixed state vector formulation of the differential equations, combined with an integrating matrix solution procedure. Highly accurate solutions are easily achieved with this approach. Example solutions are given for beam vibration problems including discontinuous stiffness and mass parameters, elastic restraint boundary conditions, concentrated inertia loading, and rigid body modes

Lehman, L. L.↗
DOE OSTI2024

Predicting the X-ray Absorption Spectrum of Ozone with Single Configuration State Functions

X-ray absorption spectra (XAS) of biradicaloid species are often thought to represent a challenge to theoretical methods. This has led to the testing of recently developed multireference techniques on the XAS of ozone, but reproduction of the experimental spectral profile has proven difficult. We utilize a minimal model consisting of a single configuration state function (CSF) per excited state to model core-level excitations of ozone, with the orbitals of each CSF optimized using the restricted open-shell Kohn–Sham (ROKS) method. This protocol leads to semiquantitative agreement with experimental XAS. In fact, we find that low-lying core-hole excited states in biradicaloids can be approximated with individual CSFs, despite the presence of multireference character in the ground state. Here, we also report that the 1s → π* and 1s → σ* transitions have quite distinct widths for O 3 . This reveals the importance of sampling over a representative range of geometries from the vibrational ground state for properly assessing the accuracy of electronic structure methods against experiments instead of the popular procedure of uniformly broadening stick spectra at the equilibrium geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Diffusion Monte Carlo approaches for studying nuclear quantum effects in fluxional molecules

Abstract Diffusion quantum Monte Carlo (DMC) provides a powerful approach for obtaining the ground state energy and wave function of molecules, ions, and molecular clusters. The approach is uniquely well suited for studies of fluxional molecules, which undergo large amplitude vibrational motions even in their ground state. In contrast to the electronic structure problem, where the wave function must be antisymmetric with respect to exchange of any pair of electrons, the wave function for the ground vibrational state is nodeless. This greatly simplifies the application of DMC for vibrational problems. Because there is not a single potential function that can be used to describe the intramolecular and intermolecular interactions in all molecular systems, most methods that are used to describe nuclear quantum effects rely on a carefully chosen zero‐order description of the molecular vibrations. In contrast, DMC calculations can be performed in Cartesian coordinates, making the DMC algorithm easily transferable between different chemical systems. In this contribution, the theory that underlies DMC will be discussed along with important considerations for performing DMC calculations. Extensions for evaluating vibrationally excited states and molecular properties are also discussed. Insights that can be obtained from DMC calculations are illustrated in the context of the protonated water clusters. This article is categorized under: Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods Theoretical and Physical Chemistry > Spectroscopy

Chemistry↗