Vibrational and structural properties of tetramethyltin under pressure
Abstract not provided
Qin, Zhen-Xing↗
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Results for “VIBRATIONS”
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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Anharmonic atomic vibrations in the relaxor ferroelectric Pb(Mg 1/3 Nb 2/3 )O 3 under pressure
Not Available
Yamanaka, Takamitsu↗
Port Function Based Modeling and Control of an Autonomously Variable Spring to Suppress Self-Excited Vibrations While Drilling.
Abstract not provided.
Buerger, Stephen↗
Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules
We report a rigorous full dimensional quantum dynamics algorithm, the multi-layer Lanczos method, for computing vibrational energies and dipole transition intensities of polyatomic molecules without any dynamics approximation. The multi-layer Lanczos method is developed by using a few advanced techniques including the guided spectral transform Lanczos method, multi-layer Lanczos iteration approach, recursive residue generation method, and dipole-wavefunction contraction. The quantum molecular Hamiltonian at the total angular momentum J = 0 is represented in a set of orthogonal polyspherical coordinates so that the large amplitude motions of vibrations are naturally described. In particular, the algorithm is general and problem-independent. An application is illustrated by calculating the infrared vibrational dipole transition spectrum of CH{sub 4} based on the ab initio T8 potential energy surface of Schwenke and Partridge [Spectrochimica Acta, Part A 57, 887 (2001)] and the low-order truncated ab initio dipole moment surfaces of Yurchenko et al. [J. Mol. Spectrosc. 291, 69 (2013)]. A comparison with experiments is made. The algorithm is also applicable for Raman polarizability active spectra.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Dynamics of nuclear single-particle structure in covariant theory of particle-vibration coupling: From light to superheavy nuclei
The impact of particle-vibration coupling and polarization effects due to deformation and time-odd mean fields on single-particle spectra is studied systematically in doubly magic nuclei from low-mass {sup 56}Ni up to superheavy ones. Particle-vibration coupling is treated fully self-consistently within the framework of the relativistic particle-vibration coupling model. Polarization effects due to deformation and time-odd mean field induced by odd particle are computed within covariant density functional theory. It has been found that among these contributions the coupling to vibrations makes a major impact on the single-particle structure. The impact of particle-vibration coupling and polarization effects on calculated single-particle spectra, the size of the shell gaps, the spin-orbit splittings and the energy splittings in pseudospin doublets is discussed in detail; these physical observables are compared with experiment. Particle-vibration coupling has to be taken into account when model calculations are compared with experiment since this coupling is responsible for observed fragmentation of experimental levels; experimental spectroscopic factors are reasonably well described in model calculations.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Enhancement of vibrationally assisted energy transfer by proximity to exceptional points, probed by fluorescence-detected vibrational spectroscopy
Emulation of energy transfer processes in natural systems on quantum platforms can further our understanding of complex dynamics in nature. One notable example is the demonstration of vibrationally assisted energy transfer (VAET) on a trapped-ion quantum emulator, which offers insights for the energetics of light harvesting. In this work, we expand the study of VAET simulation with trapped ions to a non-Hermitian quantum system comprising a 𝒫𝑇-symmetric chromophore dimer weakly coupled to a vibrational mode. We first characterize exceptional points (EPs) and non-Hermitian features of the excitation energy transfer processes in the absence of the vibration, finding a degenerate pair of second-order EPs. Exploring the non-Hermitian dynamics of the whole system including vibrations, we find that energy transfer accompanied by absorption of phonons from a vibrational mode can be significantly enhanced near such a degenerate EP. Our calculations reveal a unique spectral feature accompanying the coalescing of eigenstates and eigenenergies that provides a unique approach to probe the degenerate EP by fluorescence-detected vibrational spectroscopy. Enhancement of the VAET process near the EP is found to be due to maximal favorability of phonon absorption at the degenerate EP, enabling multiple simultaneous excitations. Our work on improving VAET processes in non-Hermitian quantum systems paves the way for leveraging non-Hermiticity in quantum dynamics related to excitation energy transfer.
Non-Hermitian systems↗
Intermolecular vibrational energy transfer enabled by microcavity strong light–matter coupling
Selective vibrational energy transfer between molecules in the liquid phase, a difficult process hampered by weak intermolecular forces, is achieved through polaritons formed by strong coupling between cavity photon modes and donor and acceptor molecules. Using pump-probe and two-dimensional infrared spectroscopy, we found that the excitation of the upper polariton, which is composed mostly of donors, can efficiently relax to the acceptors within ~5 picoseconds. The energy-transfer efficiency can be further enhanced by increasing the cavity lifetime, suggesting that the energy transfer is a polaritonic process. This vibrational energy-transfer pathway opens doors for applications in remote chemistry, sensing mechanisms, and vibrational polariton condensation.
Science & Technology - Other Topics↗
Vibrational spectra of CO adsorbed on oxide thin films: A tool to probe the surface defects and phase changes of oxide thin films
Thin films of iron oxide were grown on Pt(111) single crystals using cycles of physical vapor deposition of iron followed by oxidative annealing in an ultrahigh vacuum apparatus. Two procedures were utilized for film growth of ∼15–30 ML thick films, where both procedures involved sequential deposition+oxidation cycles. In procedure 1, the iron oxide film was fully grown via sequential deposition+oxidation cycles, and then the fully grown film was exposed to a CO flux equivalent to 8 × 10{sup −7} millibars, and a vibrational spectrum of adsorbed CO was obtained using infrared reflection-absorption spectroscopy. The vibrational spectra of adsorbed CO from multiple preparations using procedure 1 show changes in the film termination structure and/or chemical nature of the surface defects—some of which are correlated with another phase that forms (“phase B”), even before enough of phase B has formed to be easily detected using low energy electron diffraction (LEED). During procedure 2, CO vibrational spectra were obtained between deposition+oxidation cycles, and these spectra show that the film termination structure and/or chemical nature of the surface defects changed as a function of sequential deposition+oxidation cycles. The authors conclude that measurement of vibrational spectra of adsorbed CO on oxide thin films provides a sensitive tool to probe chemical changes of defects on the surface and can thus complement LEED techniques by probing changes not visible by LEED. Increased use of vibrational spectra of adsorbed CO on thin films would enable better comparisons between films grown with different procedures and by different groups.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Effects of vibration and shock on the performance of gas-bearing space-power Brayton cycle turbomachinery. 2: Sinusoidal and random vibration
The vibration response of a gas-bearing rotor-support system was analyzed experimentally documented for sinusoidal and random vibration environments. The NASA Brayton Rotating Unit (BRU), 36,000 rpm; 10 KWe turbogenerator; was subjected in the laboratory to sinusoidal and random vibrations to evaluate the capability of the BRU to (1) survive the vibration levels expected to be encountered during periods of nonoperation and (2) operate satisfactorily (that is, without detrimental bearing surface contacts) at the vibration levels expected during normal BRU operation. Response power spectral density was calculated for specified input random excitation, with particular emphasis upon the dynamic motions of the thrust bearing runner and stator. A three-mass model with nonlinear representation of the engine isolator mounts was used to calculate axial rotor-bearing shock response.
Tessarzik, J. M.↗
Investigation of difficult component effects on finite element model vibration prediction for the Bell AH-1G helicopter. Volume 1: Ground vibration test results
Under the NASA-sponsored Design Analysis Methods for VIBrationS (DAMVIBS) program, a series of ground vibration tests and NASTRAN finite element model (FEM) correlations were conducted on the Bell AH-1G helicopter gunship to investigate the effects of difficult components on the vibration response of the airframe. Previous correlations of the AH-1G showed good agreement between NASTRAN and tests through 15 to 20 Hz, but poor agreement in the higher frequency range of 20 to 30 Hz. Thus, this effort emphasized the higher frequency airframe vibration response correlations and identified areas that need further R and T work. To conduct the investigations, selected difficult components (main rotor pylon, secondary structure, nonstructural doors/panels, landing gear, engine, fuel, etc.) were systematically removed to quantify their effects on overall vibratory response of the airframe. The entire effort was planned and documented, and the results reviewed by NASA and industry experts in order to ensure scientific control of the testing, analysis, and correlation exercise. In particular, secondary structure and damping had significant effects on the frequency response of the airframe above 15 Hz. Also, the nonlinear effects of thrust stiffening and elastomer mounts were significant on the low frequency pylon modes below main rotor 1p (5.4 Hz). The results of the ground vibration testing are presented.
Dompka, R. V.↗
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.↗
Exploring the Vibrational Side of Spin-Phonon Coupling in Single-Molecule Magnets via 161 Dy Nuclear Resonance Vibrational Spectroscopy
Synchrotron-based nuclear resonance vibrational spectroscopy (NRVS) using the Mossbauer isotope 161 Dy has been employed for the first time to study the vibrational properties of a single-molecule magnet (SMM) incorporating Dy III , namely [Dy(Cy3PO)(2)(H2O)(5)]Br-3•2 (Cy3PO)•2 H2O•2 EtOH. The experimental partial phonon density of states (pDOS), which includes all vibrational modes involving a displacement of the Dy III ion, was reproduced by means of simulations using density functional theory (DFT), enabling the assignment of all intramolecular vibrational modes. This study proves that 161 Dy NRVS is a powerful experimental tool with significant potential to help to clarify the role of phonons in SMMs.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Direct Measurements of Pore Fluid Density by Vibrating Tube Densimetry
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bio-inspired, mechanical behavior, carbon sequestr↗
Communication: A vibrational study of propargyl cation using the vacuum ultraviolet laser velocity-map imaging photoelectron method
By employing the vacuum ultraviolet (VUV) laser velocity-map imaging photoelectron (VUV-VMI-PE) method, we have obtained a vibrationally resolved photoelectron spectrum of gaseous propargyl radical [C{sub 3}H{sub 3}(X{sup 2}B{sub 1})] in the energy range of 0-4600 cm{sup -1} above its ionization energy. The cold C{sub 3}H{sub 3} radicals were produced from a supersonically cooled radical beam source based on 193 nm ArF photodissociation of C{sub 3}H{sub 3}Cl. The VUV-VMI-PE spectrum of C{sub 3}H{sub 3} thus obtained reveals a Franck-Condon factor (FCF) pattern with a highly dominant origin band along with weak vibrational progressions associated with excitations of the C-C {nu}{sub 5}{sup +}(a{sub 1}) and C{identical_to}C {nu}{sub 3}{sup +}(a{sub 1}) symmetric stretching modes and the CCH {nu}{sub 7}{sup +}(b{sub 1}) out-of-plane bending mode of C{sub 3}H{sub 3}{sup +}(X{sup 1}A{sub 1}). The {nu}{sub 5}{sup +}(a{sub 1}) vibrational frequency of 1120 cm{sup -1} determined in the present study is lower than the value deduced from the recent Ar-tagged infrared photodissociation study by 102 cm{sup -1}, confirming the highly accurate vibrational frequency predictions obtained by the most recent state-of-the-art ab initio quantum calculations. The observation of the FCF disallowed {nu}{sub 7}{sup +}(b{sub 1}) mode is indicative of vibronic interactions. The discrepancy observed between the FCF pattern determined in the present study and that predicted by a recent high-level quantum theoretical investigation can be taken as evidence that the potential energy surfaces used in the latter theoretical study are in need of improvement in order to provide a reliable FCF prediction for the C{sub 3}H{sub 3}/C{sub 3}H{sub 3}{sup +} photoionization system.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
High resolution photoelectron imaging of UO{sup −} and UO{sub 2}{sup −} and the low-lying electronic states and vibrational frequencies of UO and UO{sub 2}
We report a study of the electronic and vibrational structures of the gaseous uranium monoxide and dioxide molecules using high-resolution photoelectron imaging. Vibrationally resolved photoelectron spectra are obtained for both UO{sup −} and UO{sub 2}{sup −}. The spectra for UO{sub 2}{sup −} are consistent with, but much better resolved than a recent study using a magnetic-bottle photoelectron analyzer [W. L. Li et al., J. Chem. Phys. 140, 094306 (2014)]. The electron affinity (EA) of UO is reported for the first time as 1.1407(7) eV, whereas a much more accurate EA is obtained for UO{sub 2} as 1.1688(6) eV. The symmetric stretching modes for the neutral and anionic ground states, and two neutral excited states for UO{sub 2} are observed, as well as the bending mode for the neutral ground state. These vibrational frequencies are consistent with previous experimental and theoretical results. The stretching vibrational modes for the ground state and one excited state are observed for UO. The current results for UO and UO{sub 2} are compared with previous theoretical calculations including relativistic effects and spin-orbit coupling. The accurate experimental data reported here provide more stringent tests for future theoretical methods for actinide-containing species.
74 ATOMIC AND MOLECULAR PHYSICS↗
Study of micro piezoelectric vibration generator with added mass and capacitance suitable for broadband vibration
This study proposes an optimized frequency adjustment method that uses a micro-cantilever beam-based piezoelectric vibration generator based on a combination of added mass and capacitance. The most important concept of the proposed method is that the frequency adjustment process is divided into two steps: the first is a rough adjustment step that changes the size of the mass added at the end of cantilever to adjust the frequency in a large-scale and discontinuous manner; the second step is a continuous but short-range frequency adjustment via the adjustable added capacitance. Experimental results show that when the initial natural frequency of a micro piezoelectric vibration generator is 69.8 Hz, then this natural frequency can be adjusted to any value in the range from 54.2 Hz to 42.1 Hz using the combination of the added mass and the capacitance. This method simply and effectively matches a piezoelectric vibration generator’s natural frequency to the vibration source frequency.
42 ENGINEERING↗
Effects of vibration frequency on vibration-assisted nano-scratch process of mono-crystalline copper via molecular dynamics simulation
It has always been a critical issue to understand the material removal behavior of Vibration-Assisted Machining (VAM), especially on atomic level. To find out the effects of vibration frequency on material removal response, a three-dimensional molecular dynamics (MD) model has been established in this research to investigate the effects of scratched groove, crystal defects on the surface quality, comparing with the Von Mises shear strain and tangential force in simulations during nano-scratching process. Comparisons are made among the results of simulations from different vibration frequency with the same scratching feed, depth, amplitude and crystal orientation. Copper potential in this simulation is Embedded-Atom Method (EAM) potential. Interaction between copper and carbon atoms is Morse potential. Simulational results show that higher frequency can make groove smoother. Simulation with high frequency creates more dislocations to improve the machinability of copper specimen. The changing frequency does not have evident effects on Von Mises shear strain. Higher frequency can decrease the tangential force to reduce the consumption of cutting energy and tool wear. In conclusion, higher vibration frequency in VAM on mono-crystalline copper has positive effects on surface finish, machinablility and tool wear reduction.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗